*HEADER    LIPID BINDING PROTEIN                   02-MAR-07   2JOB              
*TITLE     SOLUTION STRUCTURE OF AN ANTILIPOPOLYSACCHARIDE FACTOR FROM           
*TITLE    2 SHRIMP AND ITS POSSIBLE LIPID A BINDING SITE                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTILIPOPOLYSACCHARIDE FACTOR;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PENAEUS MONODON;                                
*SOURCE   3 ORGANISM_COMMON: BLACK TIGER SHRIMP;                                 
*SOURCE   4 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: ASCOMYCETES                                
*KEYWDS    ALF, LIPID A BINDING PROTEIN, ENDOTOXIN, LIPID BINDING                
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    Y.YANG, H.BOZE, P.CHEMARDIN, A.PADILLA, G.MOULIN,                     
*AUTHOR   2 A.TASSANAKAJON, M.PUGNIERE, F.ROQUET, Y.GUEGUEN, E.BACHERE,          
*AUTHOR   3 A.AUMELAS                                                            
*REVDAT   1   11-MAR-08 2JOB    0                                                


REStraints DIHEdral reset
!!
!! Phi restraints: minimum deviation = 30 degrees
!!   7
 assign (resid  6 and name c )   (resid  7 and name n) 
        (resid  7 and name ca)   (resid  7 and name c)   1.0 -57.0  30.0 2
!!   8
 assign (resid  7 and name c )   (resid  8 and name n) 
        (resid  8 and name ca)   (resid  8 and name c)   1.0 -57.0  30.0 2
!!   9
 assign (resid  8 and name c )   (resid  9 and name n) 
        (resid  9 and name ca)   (resid  9 and name c)   1.0 -57.0  30.0 2
!!   10
 assign (resid  9 and name c )   (resid 10 and name n) 
        (resid 10 and name ca)   (resid 10 and name c)   1.0 -57.0  30.0 2
!!   11
 assign (resid 10 and name c )   (resid 11 and name n) 
        (resid 11 and name ca)   (resid 11 and name c)   1.0 -57.0  30.0 2
!!   12
 assign (resid 11 and name c )   (resid 12 and name n) 
        (resid 12 and name ca)   (resid 12 and name c)   1.0 -57.0  30.0 2
!!   13
 assign (resid 12 and name c )   (resid 13 and name n) 
        (resid 13 and name ca)   (resid 13 and name c)   1.0 -57.0  30.0 2
!!   14
 assign (resid 13 and name c )   (resid 14 and name n) 
        (resid 14 and name ca)   (resid 14 and name c)   1.0 -57.0  30.0 2
!!   15
 assign (resid 14 and name c )   (resid 15 and name n) 
        (resid 15 and name ca)   (resid 15 and name c)   1.0 -57.0  30.0 2
!!   16
 assign (resid 15 and name c )   (resid 16 and name n) 
        (resid 16 and name ca)   (resid 16 and name c)   1.0 -57.0  30.0 2
!!   17
 assign (resid 16 and name c )   (resid 17 and name n) 
        (resid 17 and name ca)   (resid 17 and name c)   1.0 -57.0  30.0 2
!!   18
 assign (resid 17 and name c )   (resid 18 and name n) 
        (resid 18 and name ca)   (resid 18 and name c)   1.0 -57.0  30.0 2
!!   74
 assign (resid 73 and name c )   (resid 74 and name n) 
        (resid 74 and name ca)   (resid 74 and name c)   1.0 -57.0  30.0 2
!!   75
 assign (resid 74 and name c )   (resid 75 and name n) 
        (resid 75 and name ca)   (resid 75 and name c)   1.0 -57.0  30.0 2
!!   76
 assign (resid 75 and name c )   (resid 76 and name n) 
        (resid 76 and name ca)   (resid 76 and name c)   1.0 -57.0  30.0 2
!!   77
 assign (resid 76 and name c )   (resid 77 and name n) 
        (resid 77 and name ca)   (resid 77 and name c)   1.0 -57.0  30.0 2
!!   78
 assign (resid 77 and name c )   (resid 78 and name n) 
        (resid 78 and name ca)   (resid 78 and name c)   1.0 -57.0  30.0 2
!!   79
 assign (resid 78 and name c )   (resid 79 and name n) 
        (resid 79 and name ca)   (resid 79 and name c)   1.0 -57.0  30.0 2
!!   80
 assign (resid 79 and name c )   (resid 80 and name n) 
        (resid 80 and name ca)   (resid 80 and name c)   1.0 -57.0  30.0 2
!!   81
 assign (resid 80 and name c )   (resid 81 and name n) 
        (resid 81 and name ca)   (resid 81 and name c)   1.0 -57.0  30.0 2
!!   82
 assign (resid 81 and name c )   (resid 82 and name n) 
        (resid 82 and name ca)   (resid 82 and name c)   1.0 -57.0  30.0 2
!!   83
 assign (resid 82 and name c )   (resid 83 and name n) 
        (resid 83 and name ca)   (resid 83 and name c)   1.0 -57.0  30.0 2
!!   84
 assign (resid 83 and name c )   (resid 84 and name n) 
        (resid 84 and name ca)   (resid 84 and name c)   1.0 -57.0  30.0 2
!!   85
 assign (resid 84 and name c )   (resid 85 and name n) 
        (resid 85 and name ca)   (resid 85 and name c)   1.0 -57.0  30.0 2
!!   86
 assign (resid 85 and name c )   (resid 86 and name n) 
        (resid 86 and name ca)   (resid 86 and name c)   1.0 -70.0  30.0 2
!!   87
 assign (resid 86 and name c )   (resid 87 and name n) 
        (resid 87 and name ca)   (resid 87 and name c)   1.0 -60.0  40.0 2
!!   72
 assign (resid 71 and name c )   (resid 71 and name n) 
        (resid 72 and name ca)   (resid 72 and name c)   1.0 -65.0  40.0 2
!!   73
 assign (resid 72 and name c )   (resid 73 and name n) 
        (resid 73 and name ca)   (resid 73 and name c)   1.0 -57.0  40.0 2
!!   94
 assign (resid 93 and name c )   (resid 94 and name n) 
        (resid 94 and name ca)   (resid 94 and name c)   1.0 -57.0  30.0 2
!!   95
 assign (resid 94 and name c )   (resid 95 and name n) 
        (resid 95 and name ca)   (resid 95 and name c)   1.0 -57.0  30.0 2
!!   96
 assign (resid 95 and name c )   (resid 96 and name n) 
        (resid 96 and name ca)   (resid 96 and name c)   1.0 -57.0  30.0 2
!!   97
 assign (resid 96 and name c )   (resid 97 and name n) 
        (resid 97 and name ca)   (resid 97 and name c)   1.0 -57.0  30.0 2
!!   98
 assign (resid 97 and name c )   (resid 98 and name n) 
        (resid 98 and name ca)   (resid 98 and name c)   1.0 -57.0  30.0 2
!!   99
 assign (resid 98 and name c )   (resid 99 and name n) 
        (resid 99 and name ca)   (resid 99 and name c)   1.0 -57.0  30.0 2
!!   100
 assign (resid 99 and name c )   (resid 100 and name n) 
        (resid 100 and name ca)   (resid 100 and name c)   1.0 -57.0  30.0 2
!!   101
 assign (resid 100 and name c )   (resid 101 and name n) 
        (resid 101 and name ca)   (resid 101 and name c)   1.0 -57.0  30.0 2
!!   34
 assign (resid 33 and name c )   (resid 34 and name n) 
        (resid 34 and name ca)   (resid 34 and name c)   1.0 -140.0  30.0 2
!!   35
 assign (resid 34 and name c )   (resid 35 and name n) 
        (resid 35 and name ca)   (resid 35 and name c)   1.0 -140.0  30.0 2
!!   36
 assign (resid 35 and name c )   (resid 36 and name n) 
        (resid 36 and name ca)   (resid 36 and name c)   1.0 -140.0  30.0 2
!!   37
 assign (resid 36 and name c )   (resid 37 and name n) 
        (resid 37 and name ca)   (resid 37 and name c)   1.0 -140.0  30.0 2
!!   38
 assign (resid 37 and name c )   (resid 38 and name n) 
        (resid 38 and name ca)   (resid 38 and name c)   1.0 -140.0  30.0 2
!!   39
 assign (resid 38 and name c )   (resid 39 and name n) 
        (resid 39 and name ca)   (resid 39 and name c)   1.0 -140.0  30.0 2
!!   41
 assign (resid 40 and name c )   (resid 41 and name n) 
        (resid 41 and name ca)   (resid 41 and name c)   1.0 -120.0  30.0 2
!!   42
 assign (resid 41 and name c )   (resid 42 and name n) 
        (resid 42 and name ca)   (resid 42 and name c)   1.0 -130.0  30.0 2
!!   47
 assign (resid 46 and name c )   (resid 47 and name n) 
        (resid 47 and name ca)   (resid 47 and name c)   1.0 -100.0  30.0 2
!!   48
 assign (resid 47 and name c )   (resid 48 and name n) 
        (resid 48 and name ca)   (resid 48 and name c)   1.0 -110.0  30.0 2
!!   49
 assign (resid 48 and name c )   (resid 49 and name n) 
        (resid 49 and name ca)   (resid 49 and name c)   1.0 -120.0  30.0 2
!!   50
 assign (resid 49 and name c )   (resid 50 and name n) 
        (resid 50 and name ca)   (resid 50 and name c)   1.0 -140.0  30.0 2
!!   51
 assign (resid 50 and name c )   (resid 51 and name n) 
        (resid 51 and name ca)   (resid 51 and name c)   1.0 -140.0  30.0 2
!!   52
 assign (resid 51 and name c )   (resid 52 and name n) 
        (resid 52 and name ca)   (resid 52 and name c)   1.0 -140.0  30.0 2
!!   53
 assign (resid 52 and name c )   (resid 53 and name n) 
        (resid 53 and name ca)   (resid 53 and name c)   1.0 -140.0  30.0 2
!!   54
 assign (resid 53 and name c )   (resid 54 and name n) 
        (resid 54 and name ca)   (resid 54 and name c)   1.0 -140.0  30.0 2
!!   55
 assign (resid 54 and name c )   (resid 55 and name n) 
        (resid 55 and name ca)   (resid 55 and name c)   1.0 -140.0  30.0 2
!!   62
 assign (resid 61 and name c )   (resid 62 and name n) 
        (resid 62 and name ca)   (resid 62 and name c)   1.0 -140.0  30.0 2
!!   63
 assign (resid 62 and name c )   (resid 63 and name n) 
        (resid 63 and name ca)   (resid 63 and name c)   1.0 -140.0  30.0 2
!!   64
 assign (resid 63 and name c )   (resid 64 and name n) 
        (resid 64 and name ca)   (resid 64 and name c)   1.0 -140.0  30.0 2
!!   65
 assign (resid 64 and name c )   (resid 65 and name n) 
        (resid 65 and name ca)   (resid 65 and name c)   1.0 -140.0  30.0 2
!!   60
 assign (resid 59 and name c )   (resid 60 and name n) 
        (resid 60 and name ca)   (resid 60 and name c)   1.0 -150.0  30.0 2
!!   61
 assign (resid 60 and name c )   (resid 61 and name n) 
        (resid 61 and name ca)   (resid 61 and name c)   1.0 -150.0  30.0 2
!!   88
 assign (resid 87 and name c )   (resid 88 and name n) 
        (resid 88 and name ca)   (resid 88 and name c)   1.0 -85.0  50.0 2
!!   23
 assign (resid 22 and name c )   (resid 23 and name n) 
        (resid 23 and name ca)   (resid 23 and name c)   1.0 -140.0  40.0 2
!!   26
 assign (resid 25 and name c )   (resid 26 and name n) 
        (resid 26 and name ca)   (resid 26 and name c)   1.0 -140.0  40.0 2
!!   19
 assign (resid 18 and name c )   (resid 19 and name n) 
        (resid 19 and name ca)   (resid 19 and name c)   1.0  -57.0  30.0 2
!!   20
 assign (resid 19 and name c )   (resid 20 and name n) 
        (resid 20 and name ca)   (resid 20 and name c)   1.0  -65.0  30.0 2
!!   21
 assign (resid 20 and name c )   (resid 21 and name n) 
        (resid 21 and name ca)   (resid 21 and name c)   1.0  -130.0  30.0 2
!!   10
 assign (resid 10 and name n )   (resid 10 and name ca) 
        (resid 10 and name cb)   (resid 10 and name cg1)   1.0  180.0  30.0 2
!!   14
 assign (resid 14 and name n )   (resid 14 and name ca) 
        (resid 14 and name cb)   (resid 14 and name cg1)   1.0  180.0  30.0 2
!!   19
 assign (resid 19 and name n )   (resid 19 and name ca) 
        (resid 19 and name cb)   (resid 19 and name cg1)   1.0  180.0  30.0 2
!!   73
 assign (resid 73 and name n )   (resid 73 and name ca) 
        (resid 73 and name cb)   (resid 73 and name cg2)   1.0  180.0  30.0 2
!!   18
 assign (resid 18 and name n )   (resid 18 and name ca) 
        (resid 18 and name cb)   (resid 18 and name cg2)   1.0  180.0  30.0 2
!!   21
 assign (resid 21 and name n )   (resid 21 and name ca) 
        (resid 21 and name cb)   (resid 21 and name cg)   1.0  180.0  30.0 2
!!   22
 assign (resid 22 and name n )   (resid 22 and name ca) 
        (resid 22 and name cb)   (resid 22 and name cg)   1.0  180.0  30.0 2
!!   T27
 assign (resid 27 and name n )   (resid 27 and name ca) 
        (resid 27 and name cb)   (resid 27 and name cg2)  1.0  60.0  30.0 2
!!   T59
 assign (resid 59 and name n )   (resid 59 and name ca) 
        (resid 59 and name cb)   (resid 59 and name cg2)  1.0  60.0  30.0 2
!!   l90
 assign (resid 90 and name n )   (resid 90 and name ca) 
        (resid 90 and name cb)   (resid 90 and name cg)  1.0  -60.0  40.0 2
!!   l90
 assign (resid 90 and name ca )   (resid 90 and name cb) 
        (resid 90 and name cg)   (resid 90 and name cd1)  1.0  180.0  40.0 2
!!   l29
 assign (resid 29 and name n )   (resid 29 and name ca) 
        (resid 29 and name cb)   (resid 29 and name cg)  1.0  -60.0  30.0 2
!!   l29
 assign (resid 29 and name ca )   (resid 29 and name cb) 
        (resid 29 and name cg)   (resid 29 and name cd1)  1.0  180.0  30.0 2
!!   l30
 assign (resid 30 and name n )   (resid 30 and name ca) 
        (resid 30 and name cb)   (resid 30 and name cg)  1.0  -170.0  30.0 2
!!   l30
 assign (resid 30 and name ca )   (resid 30 and name cb) 
        (resid 30 and name cg)   (resid 30 and name cd2)  1.0  -170.0  30.0 2
!!   48
 assign (resid 48 and name n )   (resid 48 and name ca) 
        (resid 48 and name cb)   (resid 48 and name cg)  1.0  -60.0  30.0 2
!!   34-55
 assign (resid 34 and name cb )   (resid 34 and name sg) 
        (resid 55 and name sg)   (resid 55 and name cb)  1.0  90.0  30.0 2
!!   54
 assign (resid 54 and name n )   (resid 54 and name ca) 
        (resid 54 and name cb)   (resid 54 and name cg)  1.0  60.0  30.0 2
!!   54
 assign (resid 54 and name ca )   (resid 54 and name cb) 
        (resid 54 and name cg)   (resid 54 and name cd1)  1.0  60.0  30.0 2
!!   35
 assign (resid 35 and name n )   (resid 35 and name ca) 
        (resid 35 and name cb)   (resid 35 and name cg)  1.0  180.0  30.0 2
!!   99
 assign (resid 99 and name n )   (resid 99 and name ca) 
        (resid 99 and name cb)   (resid 99 and name cg)  1.0  -180.0  40.0 2
!!   99
 assign (resid 99 and name ca )   (resid 99 and name cb) 
        (resid 99 and name cg)   (resid 99 and name cd1)  1.0  60.0  30.0 2
!!   17
 assign (resid 17 and name n )   (resid 17 and name ca) 
        (resid 17 and name cb)   (resid 17 and name cg)  1.0  180.0  30.0 2
end


assign (resid 6  and name HA1) (resid 6  and name  HN)  2.90 0.80 0.00
assign (resid 6  and name HA2) (resid 6  and name  HN)  2.80 0.80 0.00
assign (resid 6  and name HA1) (resid 7  and name  HN)  3.40 1.40 0.00
assign (resid 6  and name HA2) (resid 7  and name  HN)  3.60 1.60 0.00
assign (resid 6  and name HN) (resid 7  and name  HN)  3.20 1.00 0.00
assign (resid 7  and name  HA) (resid 7  and name  HN)  2.80 1.00 0.00  
assign (resid 7  and name HB1) (resid 7  and name  HN)  3.60 1.60 0.00  
assign (resid 7  and name HB2) (resid 7  and name  HN)  3.60 1.60 0.00
assign (resid 7  and name  HA) (resid 8  and name  HN)  3.60 1.60 0.00  
assign (resid 7  and name HB1) (resid 8  and name  HN)  4.40 2.60 0.00  
assign (resid 7  and name HB2) (resid 8  and name  HN)  4.40 2.60 0.00
assign (resid 7  and name HN) (resid 8  and name  HN)  2.80 0.80 0.00  
assign (resid 8  and name HA) (resid 8  and name  HN)  2.80 0.80 0.00    
assign (resid 8  and name HB1) (resid 8  and name  HN)  3.40 1.40 0.00
assign (resid 8  and name HB2) (resid 8  and name  HN)  3.40 1.40 0.00
assign (resid 8  and name HN) (resid 6  and name  HA2)  4.80 2.80 0.00 !
assign (resid 8  and name HN) (resid 6  and name  HN)  4.60 2.60 0.00 !
assign (resid 8  and name HA) (resid 9  and name  HN)  3.50 1.50 0.00 
assign (resid 8  and name HN) (resid 9  and name  HN)  2.80 0.80 0.00 
assign (resid 8  and name HB#) (resid 9  and name  HN)  5.40 3.40 0.00
assign (resid 9  and name  HA) (resid 9  and name  HN)  2.70 0.90 0.00  
assign (resid 9  and name HB#) (resid 9  and name  HN)  4.40 2.60 0.00
assign (resid 9  and name HN) (resid 7  and name  HA)  4.40 2.80 0.00 
assign (resid 9  and name HN) (resid 7  and name  HN)  4.20 2.80 0.00
assign (resid 9  and name HN) (resid 6  and name  HA2)  4.00 2.00 0.00 !
assign (resid 9  and name  HA) (resid 10 and name  HN)  3.50 1.50 0.00  
assign (resid 9  and name HB#) (resid 10  and name HN)   4.80 2.80 0.00 
assign (resid 9  and name HN) (resid 10  and name  HN)  2.80 0.80 0.00
assign (resid 10  and name  HA) (resid 10  and name HN)  2.70 0.70 0.00  
assign (resid 10  and name HB) (resid 10  and name HN)   2.80 0.80 0.00  
assign (resid 10  and name HG1#) (resid 10  and name HN) 5.40 3.40 0.00
assign (resid 10  and name HG2#) (resid 10  and name HN) 4.40 2.40 0.00
assign (resid 10  and name HN) (resid 7  and name  HA)  3.40 1.40 0.00 
assign (resid 10  and name HN) (resid 8  and name  HA)  4.40 2.40 0.00
assign (resid 10  and name HN) (resid 8  and name  HN)  4.20 2.20 0.00 
assign (resid 10 and name  HA) (resid 11 and name  HN)  3.50 1.50 0.00
assign (resid 10 and name  HN) (resid 11 and name  HN)  2.80 0.80 0.00
assign (resid 10 and name  HB) (resid 11 and name  HN)  2.80 0.80 0.00
assign (resid 10  and name HG1#) (resid 11  and name HN) 5.00 3.00 0.00
assign (resid 10  and name HG2#) (resid 11  and name HN) 5.80 3.80 0.00
assign (resid 11 and name  HA) (resid 11 and name  HN)  2.70 0.70 0.00  
assign (resid 11 and name HB#) (resid 11 and name  HN)  5.00 3.00 0.00
assign (resid 11  and name HN) (resid 7  and name  HA)  4.20 2.20 0.00
assign (resid 11  and name HN) (resid 8  and name  HA)  3.40 1.40 0.00 
assign (resid 11  and name HN) (resid 9  and name  HA)  4.40 2.40 0.00
assign (resid 11  and name HN) (resid 9  and name  HN)  4.20 2.20 0.00 
assign (resid 11 and name  HA) (resid 12 and name  HN)  3.60 1.60 0.00  
assign (resid 11 and name  HN) (resid 12 and name  HN)  2.80 0.80 0.00
assign (resid 11 and name  HB#) (resid 12 and name  HN)  5.00 3.00 0.00
assign (resid 12 and name  HA) (resid 12 and name  HN)  2.70 0.70 0.00  
assign (resid 12 and name HB#) (resid 12 and name  HN)  5.00 3.00 0.00
assign (resid 12  and name HN) (resid 8  and name  HA)  4.20 2.20 0.00
assign (resid 12  and name HN) (resid 9  and name  HA)  3.40 1.40 0.00 
assign (resid 12  and name HN) (resid 10  and name  HA)  4.40 2.40 0.00
assign (resid 12  and name HN) (resid 10  and name  HN)  4.20 2.20 0.00 
assign (resid 12 and name  HA) (resid 13 and name  HN)  3.60 1.60 0.00  
assign (resid 12 and name  HN) (resid 13 and name  HN)  2.80 0.80 0.00
assign (resid 12 and name  HB#) (resid 13 and name  HN)  5.00 3.00 0.00
assign (resid 13 and name  HA) (resid 13 and name  HN)  2.70 0.70 0.00  
assign (resid 13 and name HB#) (resid 13 and name  HN)  5.00 3.00 0.00
assign (resid 13  and name HN) (resid 9  and name  HA)  4.20 2.20 0.00
assign (resid 13  and name HN) (resid 10  and name  HA) 3.40 1.40 0.00 
assign (resid 13  and name HN) (resid 11  and name  HA) 4.40 2.40 0.00
assign (resid 13  and name HN) (resid 11  and name  HN) 4.20 2.20 0.00 
assign (resid 13 and name  HA) (resid 14 and name  HN)  3.60 1.60 0.00  
assign (resid 13 and name  HN) (resid 14 and name  HN)  2.80 0.80 0.00
assign (resid 13 and name  HB#) (resid 14 and name  HN)  5.00 3.00 0.00
assign (resid 14 and name  HA) (resid 14 and name  HN)  2.70 0.70 0.00  
assign (resid 14 and name  HB) (resid 14 and name  HN)  2.60 0.60 0.00
assign (resid 14 and name  HG1#) (resid 14 and name  HN) 5.80 3.80 0.00
assign (resid 14 and name  HG2#) (resid 14 and name  HN) 4.40 2.40 0.00
assign (resid 14 and name  HN) (resid 100 and name  HD1#) 5.40 3.00 0.00
assign (resid 14 and name  HN) (resid 100 and name  HD2#) 6.00 3.40 0.00
assign (resid 14 and name  HB) (resid 82 and name  HG1#) 5.40 2.20 0.00
assign (resid 14 and name  HB) (resid 82 and name  HG2#) 6.80 3.80 0.00
assign (resid 14 and name  HG2#) (resid 96 and name  HB#) 6.20 4.00 0.00
assign (resid 14  and name HN) (resid 10  and name  HA) 4.20 2.20 0.00
assign (resid 14  and name HN) (resid 11  and name  HA) 3.40 1.40 0.00 
assign (resid 14  and name HN) (resid 12  and name  HA) 4.40 2.40 0.00
assign (resid 14  and name HN) (resid 12  and name  HN) 4.20 2.20 0.00 
assign (resid 14 and name  HA) (resid 15 and name  HN)  3.60 1.60 0.00  
assign (resid 14 and name  HN) (resid 15 and name  HN)  2.80 0.80 0.00
assign (resid 14 and name  HB) (resid 15 and name  HN)   3.00 1.00 0.00
assign (resid 14 and name  HG1#) (resid 15 and name  HN) 4.80 3.40 0.00
assign (resid 14 and name  HG2#) (resid 15 and name  HN) 5.80 4.80 0.00
assign (resid 15 and name  HA) (resid 15 and name  HN)  2.70 0.70 0.00  
assign (resid 15 and name  HB#) (resid 15 and name  HN)  4.80 2.80 0.00
assign (resid 15 and name  HN) (resid 82 and name  HB)  5.00 3.00 0.00
assign (resid 15 and name  HN) (resid 82 and name  HG1#) 6.00 3.60 0.00
assign (resid 15 and name  HN) (resid 82 and name  HG2#) 5.40 2.60 0.00
assign (resid 15 and name  HA) (resid 82 and name  HG2#) 5.40 2.20 0.00
assign (resid 15  and name HN) (resid 11  and name  HA)  4.20 2.20 0.00
assign (resid 15  and name HN) (resid 12  and name  HA)  3.40 1.40 0.00 
assign (resid 15  and name HN) (resid 13  and name  HA)  4.40 2.40 0.00
assign (resid 15  and name HN) (resid 13  and name  HN)  4.20 2.20 0.00 
assign (resid 15 and name  HA) (resid 16 and name  HN)  3.60 1.60 0.00  
assign (resid 15 and name  HN) (resid 16 and name  HN)  2.80 0.80 0.00
assign (resid 15 and name  HB#) (resid 16 and name  HN)  5.00 3.00 0.00
assign (resid 16 and name  HA) (resid 16 and name  HN)  2.70 0.70 0.00  
assign (resid 16 and name  HB1) (resid 16 and name  HN)  4.40 2.40 0.00
assign (resid 16 and name  HB2) (resid 16 and name  HN)  4.40 2.40 0.00
assign (resid 16  and name HN) (resid 12  and name  HA)  4.20 2.20 0.00
assign (resid 16  and name HN) (resid 13  and name  HA)  3.40 1.40 0.00 
assign (resid 16  and name HN) (resid 14  and name  HA)  4.40 2.40 0.00
assign (resid 16  and name HN) (resid 14  and name  HN)  4.20 2.20 0.00 
assign (resid 16 and name  HA) (resid 17 and name  HN)  3.60 1.60 0.00  
assign (resid 16 and name  HN) (resid 17 and name  HN)  2.80 0.80 0.00
assign (resid 16 and name  HB#) (resid 17 and name  HN)  5.40 2.80 0.00
assign (resid 17 and name  HA) (resid 17 and name  HN)  2.70 0.70 0.00  
assign (resid 17 and name  HB1) (resid 17 and name  HN)  3.00 1.00 0.00
assign (resid 17 and name  HB2) (resid 17 and name  HN)  3.00 1.40 0.00
assign (resid 17  and name HN) (resid 13  and name  HA)  4.20 2.20 0.00
assign (resid 17  and name HN) (resid 14  and name  HA)  3.40 1.40 0.00 
assign (resid 17  and name HN) (resid 15  and name  HA)  4.40 2.40 0.00
assign (resid 17  and name HN) (resid 15  and name  HN)  4.20 2.20 0.00 
assign (resid 17 and name  HA) (resid 18 and name  HN)  3.60 1.60 0.00  
assign (resid 17 and name  HN) (resid 18 and name  HN)  2.80 0.80 0.00
assign (resid 17 and name  HB#) (resid 18 and name  HN)  5.40 2.80 0.00
assign (resid 18 and name  HA) (resid 18 and name  HN)  2.70 0.70 0.00  
assign (resid 18 and name  HG11) (resid 18 and name  HN)  3.60 1.60 0.00
assign (resid 18 and name  HG12) (resid 18 and name  HN)  3.60 1.60 0.00
assign (resid 18 and name  HB) (resid 18 and name  HN)  2.60 0.60 0.00
assign (resid 18 and name  HG2#) (resid 18 and name  HN)  5.00 3.00 0.00
assign (resid 18  and name HN) (resid 14  and name  HA) 4.40 2.20 0.00
assign (resid 18  and name HN) (resid 15  and name  HA) 3.40 1.40 0.00 
assign (resid 18  and name HN) (resid 16  and name  HA) 4.40 2.40 0.00
assign (resid 18  and name HN) (resid 16  and name  HN) 4.20 2.20 0.00 
assign (resid 18 and name  HA) (resid 19 and name  HN)  3.60 1.60 0.00  
assign (resid 18 and name  HN) (resid 19 and name  HN)  2.80 0.80 0.00
assign (resid 18 and name  HB) (resid 19 and name  HN)  2.80 0.80 0.00
assign (resid 18 and name  HG2#) (resid 19 and name  HN)  5.40 3.40 0.00
assign (resid 19 and name  HA) (resid 19 and name  HN)  2.70 0.70 0.00  
assign (resid 19 and name  HB) (resid 19 and name  HN)   2.60 1.60 0.00
assign (resid 19 and name  HG2#) (resid 19 and name  HN) 4.80 1.60 0.00
assign (resid 19 and name  HG1#) (resid 19 and name  HN) 5.80 1.60 0.00
assign (resid 19  and name HN) (resid 15  and name  HA)  4.60 2.20 0.00
assign (resid 19  and name HN) (resid 16  and name  HA)  3.60 1.40 0.00 
assign (resid 19  and name HN) (resid 17  and name  HA)  4.60 2.40 0.00
assign (resid 19  and name HN) (resid 17  and name  HN)  4.40 2.20 0.00 
assign (resid 19 and name  HA) (resid 20 and name  HN)  3.60 1.60 0.00  
assign (resid 19 and name  HN) (resid 20 and name  HN)  2.80 0.80 0.00
assign (resid 19 and name  HB) (resid 20 and name  HN)   2.60 3.40 0.00
assign (resid 19 and name  HG1#) (resid 20 and name HN)  5.40 3.40 0.00
assign (resid 19 and name  HG2#) (resid 20 and name HN)  6.40 4.40 0.00
assign (resid 20 and name  HA1) (resid 20 and name  HN)  2.60 0.60 0.00
assign (resid 20 and name  HA2) (resid 20 and name  HN)  3.00 0.80 0.00  
assign (resid 20  and name HN) (resid 16  and name  HA)  4.40 2.20 0.00
assign (resid 20  and name HN) (resid 17  and name  HA)  3.80 1.40 0.00 
assign (resid 20  and name HN) (resid 18  and name  HA)  4.60 2.40 0.00
assign (resid 20  and name HN) (resid 18  and name  HN)  4.60 2.20 0.00
assign (resid 20 and name  HA1) (resid 21 and name  HN)  3.20 1.20 0.00
assign (resid 20 and name  HA2) (resid 21 and name  HN)  3.60 1.60 0.00 
assign (resid 20 and name  HN) (resid 21 and name  HN)  2.80 0.80 0.00
assign (resid 21 and name  HA) (resid 21 and name  HN)  2.80 0.80 0.00
assign (resid 21 and name  HB1) (resid 21 and name  HN)  2.80 0.80 0.00
assign (resid 21 and name  HB2) (resid 21 and name  HN)  2.80 0.80 0.00
assign (resid 21 and name  HG) (resid 21 and name  HN)  4.80 2.80 0.00
assign (resid 21 and name  HD1#) (resid 21 and name HN)  6.40 3.40 0.00
assign (resid 21 and name  HD2#) (resid 21 and name HN)  6.40 4.80 0.00
assign (resid 21 and name  HA) (resid 22 and name  HN)  3.60 1.60 0.00
assign (resid 21 and name  HN) (resid 22 and name  HN)  2.80 0.80 0.00
assign (resid 21 and name  HB1) (resid 22 and name  HN)  4.40 1.40 0.00
assign (resid 21 and name  HB2) (resid 22 and name  HN)  4.40 1.40 0.00
assign (resid 21 and name  HD1#) (resid 22 and name HN)  7.40 4.80 0.00
assign (resid 21 and name  HD2#) (resid 22 and name HN)  7.40 4.80 0.00
assign (resid 22 and name  HA) (resid 22 and name  HN)  2.80 0.80 0.00
assign (resid 22 and name  HB1) (resid 22 and name  HN)  2.80 0.80 0.00
assign (resid 22 and name  HB2) (resid 22 and name  HN)  2.80 0.80 0.00
assign (resid 22 and name  HN) (resid 20 and name  HN)  4.80 0.40 0.00
assign (resid 22 and name  HN) (resid 20 and name  HA2)  4.60 0.40 0.00
assign (resid 22 and name  HN) (resid 19 and name  HA)  3.80 0.40 0.00
assign (resid 22 and name  HA) (resid 23 and name  HN)  2.40 0.40 0.00
assign (resid 22 and name  HN) (resid 23 and name  HN)  4.60 2.60 0.00
assign (resid 22 and name  HB1) (resid 23 and name  HN)  5.00 2.40 0.00
assign (resid 22 and name  HB2) (resid 23 and name  HN)  5.00 2.40 0.00
assign (resid 22 and name  HD1) (resid 23 and name  HN)  2.60 0.40 0.00
assign (resid 22 and name  HE1) (resid 23 and name  HN)  5.00 1.00 0.00
assign (resid 23 and name  HA) (resid 23 and name  HN)  2.90 0.90 0.00
assign (resid 23 and name  HB1) (resid 23 and name  HN)  4.00 2.00 0.00
assign (resid 23 and name  HB2) (resid 23 and name  HN)  4.00 2.00 0.00
assign (resid 23 and name  HG2#) (resid 23 and name HN)  5.80 3.80 0.00
assign (resid 23 and name  HN) (resid 26 and name  HN)   2.80 0.20 0.00 !
assign (resid 23 and name  HN) (resid 26 and name  O)   2.20 0.20 0.00 !
assign (resid 23 and name  HN) (resid 25 and name  HN)   4.80 0.80 0.00 !
assign (resid 23 and name  HN) (resid 27 and name  HA)   4.00 0.40 0.00 !
assign (resid 23 and name  HN) (resid 27 and name  HB)   4.40 2.40 0.00 !
assign (resid 23 and name  HA) (resid 24 and name  HN)  2.60 0.40 0.00
assign (resid 23 and name  HN) (resid 24 and name  HN)  4.60 2.60 0.00
assign (resid 23 and name  HB1) (resid 24 and name  HN)  4.80 2.00 0.00
assign (resid 23 and name  HB2) (resid 24 and name  HN)  4.80 2.00 0.00
assign (resid 24 and name  HA) (resid 24 and name  HN)  2.80 0.80 0.00
assign (resid 24 and name  HB1) (resid 24 and name  HN)  3.60 1.60 0.00
assign (resid 24 and name  HB2) (resid 24 and name  HN)  3.60 1.60 0.00
assign (resid 24 and name  HA) (resid 25 and name  HN)  3.60 1.60 0.00
assign (resid 24 and name  HN) (resid 25 and name  HN)  2.80 0.60 0.00
assign (resid 24 and name  HB1) (resid 25 and name  HN)  3.40 1.40 0.00
assign (resid 24 and name  HB2) (resid 25 and name  HN)  3.40 1.40 0.00
assign (resid 25 and name  HA) (resid 25 and name  HN)  2.90 0.90 0.00
assign (resid 25 and name  HB1) (resid 25 and name  HN)  3.60 1.60 0.00
assign (resid 25 and name  HB2) (resid 25 and name  HN)  4.00 1.60 0.00
assign (resid 25 and name  HN) (resid 22 and name  HE1)  4.00 1.00 0.00
assign (resid 25 and name  HA) (resid 22 and name  HE1)  2.80 0.60 0.00
assign (resid 25 and name  HA) (resid 26 and name  HN)  2.80 0.80 0.00
assign (resid 25 and name  HN) (resid 26 and name  HN)  3.20 1.40 0.00
assign (resid 25 and name  HB1) (resid 26 and name  HN)  4.80 2.80 0.00
assign (resid 25 and name  HB2) (resid 26 and name  HN)  4.80 2.80 0.00
assign (resid 26 and name  HA) (resid 26 and name  HN)  2.90 0.90 0.00
assign (resid 26 and name  HB1) (resid 26 and name  HN)  2.80 0.80 0.00
assign (resid 26 and name  HB2) (resid 26 and name  HN)  3.00 1.00 0.00
assign (resid 26 and name  HN) (resid 22 and name  HD1)  3.60 1.00 0.00
assign (resid 26 and name  HN) (resid 24 and name  HB1)  5.20 0.80 0.00 !
assign (resid 26 and name  HN) (resid 24 and name  HB2)  4.80 2.80 0.00 !
assign (resid 26 and name  HA) (resid 27 and name  HN)  2.40 0.40 0.00
assign (resid 26 and name  HN) (resid 27 and name  HN)  4.60 2.60 0.00
assign (resid 26 and name  HB1) (resid 27 and name  HN)  4.80 2.80 0.00
assign (resid 26 and name  HB2) (resid 27 and name  HN)  4.80 2.80 0.00
assign (resid 27 and name  HA) (resid 27 and name  HN)  2.90 0.90 0.00
assign (resid 27 and name  HB) (resid 27 and name  HN)   3.60 1.60 0.00
assign (resid 27 and name  HG2#) (resid 27 and name HN)  5.80 3.80 0.00
assign (resid 27 and name  HN) (resid 35 and name  HA)  4.00 2.00 0.00 !
assign (resid 27 and name  HN) (resid 34 and name  HN)  3.20 0.40 0.00 !
assign (resid 27 and name  HA) (resid 28 and name  HN)  2.40 0.40 0.00
assign (resid 27 and name  HN) (resid 28 and name  HN)  4.60 2.60 0.00
assign (resid 27 and name  HB) (resid 28 and name  HN)   4.00 2.00 0.00
assign (resid 27 and name  HG2#) (resid 28 and name HN)  5.80 3.80 0.00
assign (resid 28 and name  HA) (resid 28 and name  HN)  2.90 0.90 0.00
assign (resid 28 and name  HB#) (resid 28 and name  HN)  4.60 2.60 0.00
assign (resid 28 and name  HG#) (resid 28 and name HN)   5.80 3.80 0.00
assign (resid 28 and name  HA) (resid 29 and name  HN)  2.40 0.20 0.00
assign (resid 28 and name  HN) (resid 29 and name  HN)  4.60 2.60 0.00
assign (resid 28 and name  HB#) (resid 29 and name  HN)  4.80 2.80 0.00
assign (resid 28 and name  HG#) (resid 29 and name HN)   5.80 3.80 0.00
assign (resid 29 and name  HA) (resid 29 and name  HN)  2.90 0.90 0.00
assign (resid 29 and name  HB1) (resid 29 and name  HN)  4.00 2.00 0.00
assign (resid 29 and name  HB2) (resid 29 and name HN)   4.00 2.00 0.00
assign (resid 29 and name  HN) (resid 33 and name  HA)  4.40 2.20 0.00 !
assign (resid 29 and name  HN) (resid 32 and name  HN)  3.60 1.60 0.00 !
assign (resid 29 and name  HN) (resid 32 and name  HB1)  4.60 2.40 0.00 !
assign (resid 29 and name  HN) (resid 32 and name  HB2)  4.60 2.40 0.00 !
assign (resid 29 and name  HN) (resid 31 and name  HN)  4.60 2.60 0.00 !
assign (resid 29 and name  HA) (resid 30 and name  HN)  3.20 0.80 0.00
assign (resid 29 and name  HN) (resid 30 and name  HN)   4.60 2.60 0.00
assign (resid 29 and name  HB1) (resid 30 and name HN)   4.40 2.40 0.00
assign (resid 29 and name  HB2) (resid 30 and name HN)   4.40 4.40 0.00
assign (resid 30 and name  HA) (resid 30 and name  HN)   2.90 0.90 0.00
assign (resid 30 and name  HB#) (resid 30 and name HN)   5.40 3.40 0.00
assign (resid 30 and name  HD1#) (resid 30 and name HN)  6.40 4.40 0.00
assign (resid 30 and name  HD2#) (resid 30 and name HN)  6.40 4.40 0.00
assign (resid 30 and name  HA) (resid 31 and name  HN)   3.20 1.20 0.00
assign (resid 30 and name  HN) (resid 31 and name  HN)   3.00 1.00 0.00
assign (resid 30 and name  HB1) (resid 31 and name HN)   4.40 2.40 0.00
assign (resid 30 and name  HB2) (resid 31 and name HN)   4.40 4.40 0.00
assign (resid 31 and name  HA2) (resid 31 and name HN)   3.00 0.80 0.00
assign (resid 31 and name  HA1) (resid 31 and name HN)   3.00 0.90 0.00
assign (resid 31 and name  HN) (resid 32 and name  HN)   2.60 0.60 0.00
assign (resid 31 and name  HA1) (resid 32 and name HN)   3.60 1.60 0.00
assign (resid 31 and name  HA2) (resid 32 and name HN)   3.60 1.60 0.00
assign (resid 32 and name  HA) (resid 32 and name HN)    2.90 0.90 0.00
assign (resid 32 and name  HB1) (resid 32 and name HN)   3.40 1.40 0.00
assign (resid 32 and name  HB2) (resid 32 and name HN)   2.80 0.80 0.00
assign (resid 32 and name  HN) (resid 28 and name HA)    4.80 2.40 0.00 !
assign (resid 32 and name  HN) (resid 30 and name HA)    4.60 0.60 0.00 !
assign (resid 32 and name  HN) (resid 29 and name O)    2.00 0.10 0.00 !
assign (resid 29 and name  HN) (resid 32 and name O)    2.20 0.30 0.00 !
assign (resid 32 and name  HA) (resid 33 and name  HN)   2.40 0.40 0.00
assign (resid 32 and name  HN) (resid 33 and name  HN)   4.60 0.60 0.00
assign (resid 32 and name  HB1) (resid 33 and name HN)   4.00 2.00 0.00
assign (resid 32 and name  HB2) (resid 33 and name HN)   4.00 2.00 0.00
assign (resid 33 and name  HA) (resid 33 and name HN)    2.90 0.90 0.00
assign (resid 33 and name  HB#) (resid 33 and name HN)   4.60 2.60 0.00
assign (resid 33 and name  HA) (resid 34 and name  HN)   2.40 0.40 0.00
assign (resid 33 and name  HN) (resid 34 and name  HN)   4.60 0.60 0.00
assign (resid 33 and name  HB1) (resid 34 and name HN)   5.00 3.00 0.00
assign (resid 33 and name  HB2) (resid 34 and name HN)   5.00 3.00 0.00
assign (resid 34 and name  HA) (resid 34 and name HN)    2.90 0.90 0.00
assign (resid 34 and name  HB#) (resid 34 and name HN)   4.60 2.60 0.00
assign (resid 34 and name  HN) (resid 26  and name HA)   5.00 3.00 0.00 !
assign (resid 34 and name  HN) (resid 28  and name HA)   3.00 0.40 0.00 !
assign (resid 34 and name  HA) (resid 35 and name  HN)   2.40 0.40 0.00
assign (resid 34 and name  HN) (resid 35 and name  HN)   4.60 0.60 0.00
assign (resid 34 and name  HB1) (resid 35 and name HN)   3.20 1.20 0.00
assign (resid 34 and name  HB2) (resid 35 and name HN)   3.60 1.20 0.00
assign (resid 35 and name  HA) (resid 35 and name HN)    2.90 0.90 0.00
assign (resid 35 and name  HB1) (resid 35 and name HN)   2.80 0.80 0.00
assign (resid 35 and name  HB2) (resid 35 and name HN)   2.80 0.80 0.00
assign (resid 35 and name  HN) (resid 54 and name HN)    3.40 1.40 0.00 !
assign (resid 35 and name  HN) (resid 55 and name HA)    3.40 1.40 0.00 !
assign (resid 35 and name  HN) (resid 55 and name HB1)   5.40 3.40 0.00 !
assign (resid 35 and name  HN) (resid 55 and name HB2)   5.40 3.40 0.00 !
assign (resid 35 and name  HA) (resid 36 and name  HN)   2.40 0.40 0.00
assign (resid 35 and name  HN) (resid 36 and name  HN)   4.60 0.60 0.00
assign (resid 35 and name  HB1) (resid 36 and name HN)   4.40 2.40 0.00
assign (resid 35 and name  HB2) (resid 36 and name HN)   4.40 2.40 0.00
assign (resid 36 and name  HA) (resid 36 and name HN)    2.90 0.90 0.00
assign (resid 36 and name  HB1) (resid 36 and name HN)   3.60 1.60 0.00
assign (resid 36 and name  HB2) (resid 36 and name HN)   2.80 1.60 0.00
assign (resid 36 and name  HN) (resid 26 and name HA)    3.00 0.80 0.00 !
assign (resid 36 and name  HA) (resid 37 and name  HN)   2.40 0.40 0.00
assign (resid 36 and name  HN) (resid 37 and name  HN)   4.60 0.60 0.00
assign (resid 36 and name  HB1) (resid 37 and name HN)   4.40 2.40 0.00
assign (resid 36 and name  HB2) (resid 37 and name HN)   4.40 2.40 0.00
assign (resid 37 and name  HA) (resid 37 and name HN)    2.90 0.90 0.00
assign (resid 37 and name  HB) (resid 37 and name HN)    4.00 2.00 0.00
assign (resid 37 and name  HG2#) (resid 37 and name HN)  5.00 3.00 0.00
assign (resid 37 and name  HN) (resid 77 and name HG2#)  6.80 4.80 0.00
assign (resid 37 and name  HN) (resid 53 and name HA)    3.40 1.40 0.00 !
assign (resid 37 and name  HN) (resid 52 and name HN)    3.40 1.40 0.00 !
assign (resid 37 and name  HA) (resid 38 and name  HN)   2.40 0.40 0.00
assign (resid 37 and name  HN) (resid 38 and name  HN)   4.60 0.60 0.00
assign (resid 37 and name  HB) (resid 38 and name HN)    2.80 0.80 0.00
assign (resid 37 and name  HG2#) (resid 38 and name HN)  5.40 3.40 0.00
assign (resid 38 and name  HA) (resid 38 and name HN)    2.90 0.90 0.00
assign (resid 38 and name  HB) (resid 38 and name HN)    3.00 1.00 0.00
assign (resid 38 and name  HG1#) (resid 38 and name HN)  6.40 4.40 0.00
assign (resid 38 and name  HG2#) (resid 38 and name HN)  4.60 2.60 0.00
assign (resid 38 and name  HA) (resid 39 and name HN)    2.40 0.40 0.00
assign (resid 38 and name  HB) (resid 39 and name HN)    4.60 2.60 0.00
assign (resid 38 and name  HG1#) (resid 39 and name HN)  5.40 3.40 0.00
assign (resid 38 and name  HG2#) (resid 39 and name HN)  5.60 3.40 0.00
assign (resid 39 and name  HA) (resid 39 and name HN)    2.90 0.90 0.00
assign (resid 39 and name  HB1) (resid 39 and name HN)   3.40 1.40 0.00
assign (resid 39 and name  HB2) (resid 39 and name HN)   3.40 1.40 0.00
assign (resid 39 and name  HG#) (resid 39 and name HN)   5.80 3.80 0.00
assign (resid 39 and name  HN) (resid 51 and name HA2)   3.60 1.60 0.00 !
assign (resid 39 and name  HN) (resid 51 and name HA1)   4.00 2.00 0.00 !
assign (resid 39 and name  HN) (resid 51 and name HN)    5.20 3.20 0.00 !
assign (resid 39 and name  HN) (resid 50 and name HN)    3.40 1.40 0.00 !
assign (resid 39 and name  HA) (resid 40 and name HD1)   2.60 0.60 0.00
assign (resid 39 and name  HA) (resid 40 and name HD2)   2.60 0.60 0.00
assign (resid 40 and name  HA) (resid 41 and name HN)    2.40 0.40 0.00
assign (resid 40 and name  HB1) (resid 41 and name HN)   3.60 1.60 0.00
assign (resid 40 and name  HB2) (resid 41 and name HN)   3.60 1.60 0.00
assign (resid 41 and name  HA) (resid 41 and name HN)    2.90 0.90 0.00
assign (resid 41 and name  HB1) (resid 41 and name HN)   3.60 1.60 0.00
assign (resid 41 and name  HB2) (resid 41 and name HN)   3.60 1.60 0.00
assign (resid 41 and name  HN) (resid 48 and name HN)   3.20 0.40 0.00 !
assign (resid 41 and name  HN) (resid 49 and name HA)   3.60 1.40 0.00 !
assign (resid 41 and name  HN) (resid 47 and name HA)   4.80 0.80 0.00 !
assign (resid 41 and name  HN) (resid 47 and name HG1#) 5.80 3.80 0.00 !
assign (resid 41 and name  HA) (resid 42 and name HN)    2.40 0.40 0.00
assign (resid 41 and name  HN) (resid 42 and name HN)    4.60 2.60 0.00
assign (resid 41 and name  HB1) (resid 42 and name HN)   2.80 0.80 0.00
assign (resid 41 and name  HB2) (resid 42 and name HN)   2.80 0.80 0.00
assign (resid 42 and name  HA) (resid 42 and name HN)    2.90 0.90 0.00
assign (resid 42 and name  HB1) (resid 42 and name HN)   3.00 1.00 0.00
assign (resid 42 and name  HB2) (resid 42 and name HN)   2.80 0.80 0.00
assign (resid 42 and name  HG) (resid 42 and name HN)   4.60 0.80 0.00
assign (resid 42 and name  HD1#) (resid 42 and name HN)  6.40 4.40 0.00
assign (resid 42 and name  HD2#) (resid 42 and name HN)  6.40 4.40 0.00
assign (resid 42 and name  HA) (resid 43 and name HN)    2.40 0.40 0.00
assign (resid 42 and name  HN) (resid 43 and name HN)    4.60 2.60 0.00
assign (resid 42 and name  HB1) (resid 43 and name HN)   3.60 1.40 0.00
assign (resid 42 and name  HB2) (resid 43 and name HN)   4.40 2.00 0.00
assign (resid 42 and name  HG) (resid 43 and name HN)   2.60 0.60 0.00
assign (resid 42 and name  HD1#) (resid 43 and name HN)  5.80 2.80 0.00
assign (resid 42 and name  HD2#) (resid 43 and name HN)  5.80 2.80 0.00
assign (resid 43 and name  HA) (resid 43 and name HN)    2.90 0.90 0.00
assign (resid 43 and name  HB1) (resid 43 and name HN)   2.80 0.80 0.00
assign (resid 43 and name  HB2) (resid 43 and name HN)   2.80 0.80 0.00
assign (resid 43 and name  HN) (resid 46 and name O)   2.10 0.20 0.00
assign (resid 43 and name  HN) (resid 46 and name HN)    2.80 0.60 0.00 !
assign (resid 43 and name  HN) (resid 46 and name HA)    4.80 0.40 0.00 !
assign (resid 43 and name  HN) (resid 47 and name HA)    3.60 0.60 0.00 !
assign (resid 43 and name  HN) (resid 48 and name HN)    4.80 0.60 0.00 !
assign (resid 43 and name  HN) (resid 45 and name HN)    4.80 1.00 0.00 !
assign (resid 43 and name  HA) (resid 44 and name HN)    2.60 0.40 0.00
assign (resid 43 and name  HN) (resid 44 and name HN)    4.60 2.40 0.00
assign (resid 43 and name  HB1) (resid 44 and name HN)   4.00 2.00 0.00
assign (resid 43 and name  HB2) (resid 44 and name HN)   4.00 2.00 0.00
assign (resid 44 and name  HA) (resid 44 and name HN)    2.60 0.40 0.00
assign (resid 44 and name  HB1) (resid 44 and name HN)   4.00 2.00 0.00
assign (resid 44 and name  HB2) (resid 44 and name HN)   4.00 2.00 0.00
assign (resid 44 and name  HA) (resid 45 and name HN)    3.40 1.00 0.00
assign (resid 44 and name  HN) (resid 45 and name HN)    3.00 0.40 0.00
assign (resid 44 and name  HB1) (resid 45 and name HN)   4.00 2.00 0.00
assign (resid 44 and name  HB2) (resid 45 and name HN)   4.00 2.00 0.00
assign (resid 45 and name  HA) (resid 45 and name HN)    2.80 0.60 0.00
assign (resid 45 and name  HB1) (resid 45 and name HN)   4.80 2.00 0.00
assign (resid 45 and name  HB2) (resid 45 and name HN)   4.00 2.00 0.00
assign (resid 45 and name  HA) (resid 46 and name HN)    3.20 1.20 0.00
assign (resid 45 and name  HN) (resid 46 and name HN)    2.80 1.40 0.00
assign (resid 45 and name  HB1) (resid 46 and name HN)   4.80 1.60 0.00
assign (resid 45 and name  HB2) (resid 46 and name HN)   4.80 1.60 0.00
assign (resid 46 and name  HA) (resid 46 and name HN)    2.90 0.90 0.00
assign (resid 46 and name  HB1) (resid 46 and name HN)   4.40 2.40 0.00
assign (resid 46 and name  HB2) (resid 46 and name HN)   4.40 2.40 0.00
assign (resid 46 and name  HN) (resid 44 and name HN)   4.80 0.60 0.00 !
assign (resid 46 and name  HN) (resid 42 and name HA)   4.80 0.60 0.00 !
assign (resid 46 and name  HN) (resid 43 and name O)    2.60 0.60 0.00 !
assign (resid 46 and name  HA) (resid 47 and name HN)    2.40 0.40 0.00
assign (resid 46 and name  HN) (resid 47 and name HN)    4.60 2.00 0.00
assign (resid 46 and name  HB1) (resid 47 and name HN)   4.40 2.40 0.00
assign (resid 46 and name  HB2) (resid 47 and name HN)   4.40 2.40 0.00
assign (resid 47 and name  HA) (resid 47 and name HN)    2.90 0.90 0.00
assign (resid 47 and name  HB) (resid 47 and name HN)    2.80 0.80 0.00
assign (resid 47 and name  HG1#) (resid 47 and name HN)  6.40 4.40 0.00
assign (resid 47 and name  HG2#) (resid 47 and name HN)  4.60 2.60 0.00
assign (resid 47 and name  HA) (resid 48 and name HN)    2.40 0.40 0.00
assign (resid 47 and name  HN) (resid 48 and name HN)    4.60 2.60 0.00
assign (resid 47 and name  HB) (resid 48 and name HN)    4.80 2.80 0.00
assign (resid 47 and name  HG1#) (resid 48 and name HN)  5.40 3.40 0.00
assign (resid 47 and name  HG2#) (resid 48 and name HN)  6.80 4.80 0.00
assign (resid 48 and name  HA) (resid 48 and name HN)    2.90 0.90 0.00
assign (resid 48 and name  HB1) (resid 48 and name HN)   4.00 2.00 0.00
assign (resid 48 and name  HB2) (resid 48 and name HN)   4.00 2.00 0.00
assign (resid 48 and name  HN) (resid 42 and name HA)    3.20 0.40 0.00 !
assign (resid 48 and name  HA) (resid 49 and name HN)    2.40 0.40 0.00
assign (resid 48 and name  HN) (resid 49 and name HN)    4.60 2.60 0.00
assign (resid 48 and name  HB1) (resid 49 and name HN)   3.60 1.60 0.00
assign (resid 48 and name  HB2) (resid 49 and name HN)   4.40 2.40 0.00
assign (resid 49 and name  HA) (resid 49 and name HN)    2.90 0.90 0.00
assign (resid 49 and name  HB1) (resid 49 and name HN)   3.40 1.40 0.00
assign (resid 49 and name  HB2) (resid 49 and name HN)   3.40 1.40 0.00
assign (resid 49 and name  HN) (resid 68 and name HA)    4.20 2.20 0.00 !
assign (resid 49 and name  HN) (resid 67 and name HN)    4.40 1.80 0.00 !
assign (resid 49 and name  HA) (resid 50 and name HN)    2.40 0.40 0.00
assign (resid 49 and name  HN) (resid 50 and name HN)    4.60 2.60 0.00
assign (resid 49 and name  HB1) (resid 50 and name HN)   4.40 2.40 0.00
assign (resid 49 and name  HB2) (resid 50 and name HN)   4.40 2.40 0.00
assign (resid 50 and name  HA) (resid 50 and name HN)    2.90 0.90 0.00
assign (resid 50 and name  HB1) (resid 50 and name HN)   3.40 1.40 0.00
assign (resid 50 and name  HB2) (resid 50 and name HN)   3.40 1.40 0.00
assign (resid 50 and name  HN) (resid 40 and name HA)    3.40 1.40 0.00 !
assign (resid 50 and name  HA) (resid 51 and name HN)    2.40 0.40 0.00
assign (resid 50 and name  HB1) (resid 51 and name HN)   4.00 2.00 0.00
assign (resid 50 and name  HB2) (resid 51 and name HN)   4.00 2.00 0.00
assign (resid 51 and name  HA1) (resid 51 and name HN)   2.60 0.90 0.00
assign (resid 51 and name  HA2) (resid 51 and name HN)   2.90 0.40 0.00
assign (resid 51 and name  HN) (resid 65 and name HN)    3.60 1.40 0.00
assign (resid 51 and name  HN) (resid 66 and name HA)    3.60 1.40 0.00
assign (resid 51 and name  HN) (resid 64 and name HA)    5.20 3.20 0.00
assign (resid 51 and name  HN) (resid 77 and name HG2#)  7.00 5.00 0.00 !
assign (resid 51 and name  HN) (resid 73 and name HG2#)  4.80 2.80 0.00 !
assign (resid 51 and name  HA1) (resid 52 and name HN)   3.20 0.40 0.00
assign (resid 51 and name  HA2) (resid 52 and name HN)   2.40 0.40 0.00
assign (resid 51 and name  HN) (resid 52 and name HN)    4.60 2.60 0.00
assign (resid 52 and name  HA) (resid 52 and name HN)    2.90 0.90 0.00
assign (resid 52 and name  HB1) (resid 52 and name HN)   3.40 1.40 0.00
assign (resid 52 and name  HB2) (resid 52 and name HN)   3.40 1.40 0.00
assign (resid 52 and name  HN) (resid 38 and name HA)    3.40 1.40 0.00 !
assign (resid 52 and name  HN) (resid 53 and name HN)    4.60 2.60 0.00
assign (resid 52 and name  HA) (resid 53 and name HN)    2.40 0.40 0.00
assign (resid 53 and name  HA) (resid 53 and name HN)    2.90 0.90 0.00
assign (resid 53 and name  HB1) (resid 53 and name HN)   3.60 1.40 0.00
assign (resid 53 and name  HB2) (resid 53 and name HN)   4.40 2.40 0.00
assign (resid 53 and name  HN) (resid 63 and name HN)    3.40 1.40 0.00 !
assign (resid 53 and name  HN) (resid 64 and name HA)    3.40 1.40 0.00 !
assign (resid 53 and name  HN) (resid 64 and name HN)    5.20 3.20 0.00 !
assign (resid 53 and name  HA) (resid 54 and name HN)    2.90 0.90 0.00
assign (resid 53 and name  HN) (resid 54 and name HN)    4.60 2.60 0.00
assign (resid 53 and name  HB1) (resid 54 and name HN)   4.00 2.00 0.00
assign (resid 53 and name  HB2) (resid 54 and name HN)   3.40 1.40 0.00
assign (resid 54 and name  HA) (resid 54 and name HN)    2.90 0.90 0.00
assign (resid 54 and name  HB1) (resid 54 and name HN)   4.60 2.60 0.00
assign (resid 54 and name  HB2) (resid 54 and name HN)   4.60 2.60 0.00
assign (resid 54 and name  HN) (resid 36 and name HA)    3.40 1.40 0.00 !
assign (resid 54 and name  HN) (resid 34 and name HB#)   6.00 4.00 0.00 !
assign (resid 54 and name  HN) (resid 35 and name HB1)   4.80 3.00 0.00 !
assign (resid 54 and name  HN) (resid 35 and name HB2)   4.80 3.00 0.00 !
assign (resid 54 and name  HA) (resid 55 and name HN)    2.90 0.90 0.00
assign (resid 54 and name  HN) (resid 55 and name HN)    4.60 2.60 0.00
assign (resid 54 and name  HB1) (resid 55 and name HN)   4.80 2.80 0.00
assign (resid 54 and name  HB2) (resid 55 and name HN)   4.80 2.80 0.00
assign (resid 55 and name  HA) (resid 55 and name HN)    2.90 0.90 0.00
assign (resid 55 and name  HB1) (resid 55 and name HN)   4.60 2.60 0.00
assign (resid 55 and name  HB2) (resid 55 and name HN)   4.60 2.60 0.00
assign (resid 55 and name  HN) (resid 61 and name HN)    4.40 2.40 0.00 !
assign (resid 55 and name  HN) (resid 62 and name HA)    4.80 2.80 0.00 !
assign (resid 55 and name  HA) (resid 56 and name HD1)   2.80 0.80 0.00
assign (resid 55 and name  HA) (resid 56 and name HD2)   2.80 0.80 0.00
assign (resid 56 and name  HA) (resid 57 and name HN)    2.40 0.40 0.00
assign (resid 56 and name  HB1) (resid 57 and name HN)   4.60 2.60 0.00
assign (resid 56 and name  HB2) (resid 57 and name HN)   4.60 2.60 0.00
assign (resid 57 and name  HA1) (resid 57 and name HN)   2.80 0.80 0.00
assign (resid 57 and name  HA2) (resid 57 and name HN)   2.90 0.90 0.00
assign (resid 57 and name  HA1) (resid 58 and name HN)   3.60 1.60 0.00
assign (resid 57 and name  HA2) (resid 58 and name HN)   3.60 1.60 0.00
assign (resid 57 and name  HN) (resid 58 and name HN)    2.60 0.60 0.00
assign (resid 58 and name  HA) (resid 58 and name HN)    2.70 0.70 0.00
assign (resid 58 and name  HB1) (resid 58 and name HN)   2.80 0.80 0.00
assign (resid 58 and name  HB2) (resid 58 and name HN)   2.80 0.80 0.00
assign (resid 58 and name  HN) (resid 56 and name HA)    4.40 0.40 0.00
assign (resid 58 and name  HA) (resid 59 and name HN)    3.60 1.60 0.00
assign (resid 58 and name  HN) (resid 59 and name HN)    2.80 0.80 0.00
assign (resid 58 and name  HB1) (resid 59 and name HN)   3.40 1.40 0.00
assign (resid 58 and name  HB2) (resid 59 and name HN)   3.40 1.40 0.00
assign (resid 59 and name  HA) (resid 59 and name HN)    2.80 0.80 0.00
assign (resid 59 and name  HB) (resid 59 and name HN)    4.80 1.40 0.00
assign (resid 59 and name HG2#) (resid 59 and name HN)   4.40 3.40 0.00
assign (resid 59 and name  HA) (resid 60 and name HN)    3.40 1.40 0.00
assign (resid 59 and name  HN) (resid 60 and name HN)    4.00 2.00 0.00
assign (resid 59 and name  HB) (resid 60 and name HN)    4.80 2.40 0.00
assign (resid 59 and name HG2#) (resid 60 and name HN)   5.40 2.40 0.00
assign (resid 60 and name  HA) (resid 60 and name HN)    2.90 0.90 0.00
assign (resid 60 and name  HB#) (resid 60 and name HN)   4.40 2.40 0.00
assign (resid 60 and name  HA) (resid 61 and name HN)    3.50 1.20 0.00
assign (resid 60 and name  HB#) (resid 61 and name HN)   5.80 3.80 0.00
assign (resid 60 and name  HN) (resid 61 and name HN)    3.40 1.00 0.00
assign (resid 61 and name  HA) (resid 61 and name HN)    2.90 0.90 0.00
assign (resid 61 and name  HB) (resid 61 and name HN)    4.40 2.40 0.00
assign (resid 61 and name  HG2#) (resid 61 and name HN)  5.80 3.80 0.00
assign (resid 61 and name  HN) (resid 59 and name HG2#)  4.80 1.80 0.00
assign (resid 61 and name  HN) (resid 90 and name HD1#)  6.80 2.80 0.00
assign (resid 61 and name  HA) (resid 62 and name HN)    2.40 0.40 0.00
assign (resid 61 and name  HN) (resid 62 and name HN)    4.60 2.60 0.00
assign (resid 61 and name  HB) (resid 62 and name HN)    4.80 2.80 0.00
assign (resid 61 and name  HG2#) (resid 62 and name HN)  5.40 3.40 0.00
assign (resid 62 and name  HA) (resid 62 and name HN)    2.90 0.90 0.00
assign (resid 62 and name  HB1) (resid 62 and name HN)   3.60 1.60 0.00
assign (resid 62 and name  HB2) (resid 62 and name HN)   3.60 1.60 0.00
assign (resid 62 and name  HA) (resid 63 and name HN)    2.40 0.40 0.00
assign (resid 62 and name  HN) (resid 63 and name HN)    4.60 2.60 0.00
assign (resid 62 and name  HB1) (resid 63 and name HN)   3.40 1.40 0.00
assign (resid 62 and name  HB2) (resid 63 and name HN)   3.40 1.40 0.00
assign (resid 63 and name  HA1) (resid 63 and name HN)   2.80 0.80 0.00
assign (resid 63 and name  HA2) (resid 63 and name HN)   2.90 0.90 0.00
assign (resid 63 and name  HN) (resid 81 and name HD#)   5.00 3.00 0.00 !
assign (resid 63 and name  HN) (resid 52 and name HA)    5.20 3.20 0.00 !
assign (resid 63 and name  HN) (resid 77 and name HG2#)  6.80 4.80 0.00 !
assign (resid 63 and name  HA2) (resid 64 and name HN)   2.40 0.40 0.00
assign (resid 63 and name  HA1) (resid 64 and name HN)   3.00 0.80 0.00
assign (resid 64 and name  HA) (resid 64 and name HN)    2.90 0.90 0.00
assign (resid 64 and name  HB1) (resid 64 and name HN)   3.60 1.60 0.00
assign (resid 64 and name  HB2) (resid 64 and name HN)   3.60 1.60 0.00
assign (resid 64 and name  HG#) (resid 64 and name HN)   5.80 3.80 0.00
assign (resid 64 and name  HN) (resid 81 and name HN)    5.20 2.80 0.00 !
assign (resid 64 and name  HN) (resid 80 and name HN)    5.80 2.80 0.00 !
assign (resid 64 and name  HN) (resid 81 and name HB2)   5.20 3.20 0.00 !
assign (resid 64 and name  HN) (resid 80 and name HB1)   3.40 1.00 0.00 !
assign (resid 64 and name  HN) (resid 80 and name HB2)   3.40 1.00 0.00 !
assign (resid 64 and name  HN) (resid 77 and name HG2#)  6.40 4.40 0.00 !
assign (resid 64 and name  HA) (resid 65 and name HN)    2.40 0.40 0.00
assign (resid 64 and name  HN) (resid 65 and name HN)    4.60 2.60 0.00
assign (resid 64 and name  HB1) (resid 65 and name HN)   4.00 2.00 0.00
assign (resid 64 and name  HB2) (resid 65 and name HN)   3.40 1.40 0.00
assign (resid 65 and name  HA) (resid 65 and name HN)    2.90 0.90 0.00
assign (resid 65 and name  HB#) (resid 65 and name HN)   4.40 2.40 0.00
assign (resid 65 and name  HN) (resid 50 and name HA)    5.20 3.20 0.00 !
assign (resid 65 and name  HN) (resid 52 and name HA)    3.40 2.40 0.00 !
assign (resid 65 and name  HA) (resid 66 and name HN)    2.40 0.40 0.00
assign (resid 65 and name  HN) (resid 66 and name HN)    4.60 2.60 0.00
assign (resid 65 and name  HB#) (resid 66 and name HN)   4.80 2.80 0.00
assign (resid 66 and name  HA) (resid 66 and name HN)    2.90 0.90 0.00
assign (resid 66 and name  HB1) (resid 66 and name HN)   4.40 2.40 0.00
assign (resid 66 and name  HB2) (resid 66 and name HN)   4.40 2.40 0.00
assign (resid 66 and name  HA) (resid 67 and name HN)    2.40 0.40 0.00
assign (resid 66 and name  HN) (resid 67 and name HN)    4.60 2.60 0.00
assign (resid 66 and name  HB1) (resid 67 and name HN)   3.60 1.60 0.00
assign (resid 66 and name  HB2) (resid 67 and name HN)   3.60 1.60 0.00
assign (resid 67 and name  HA) (resid 67 and name HN)    2.90 0.90 0.00
assign (resid 67 and name  HB) (resid 67 and name HN)    3.40 1.40 0.00
assign (resid 67 and name  HG2#) (resid 67 and name HN)  4.80 2.80 0.00
assign (resid 67 and name  HN) (resid 50 and name HA)    4.40 2.40 0.00 !
assign (resid 67 and name  HN) (resid 49 and name HN)    4.60 2.60 0.00 !
assign (resid 67 and name  HA) (resid 68 and name HN)    2.60 0.60 0.00
assign (resid 67 and name  HN) (resid 68 and name HN)    4.40 2.40 0.00
assign (resid 67 and name  HB) (resid 68 and name HN)    4.40 2.40 0.00
assign (resid 67 and name  HG2#) (resid 68 and name HN)  5.80 3.80 0.00
assign (resid 68 and name  HA) (resid 68 and name HN)    2.90 0.90 0.00
assign (resid 68 and name  HB1) (resid 68 and name HN)   4.40 2.40 0.00
assign (resid 68 and name  HB2) (resid 68 and name HN)   4.40 2.40 0.00
assign (resid 68 and name  HA) (resid 69 and name HN)    3.50 1.50 0.00
assign (resid 68 and name  HN) (resid 69 and name HN)    3.00 0.80 0.00
assign (resid 68 and name  HB1) (resid 69 and name HN)   3.60 1.60 0.00
assign (resid 68 and name  HB2) (resid 69 and name HN)   3.60 1.60 0.00
assign (resid 69 and name  HA) (resid 69 and name HN)    2.80 0.80 0.00
assign (resid 69 and name  HB1) (resid 69 and name HN)   4.40 2.40 0.00
assign (resid 69 and name  HB2) (resid 69 and name HN)   4.40 2.40 0.00
assign (resid 69 and name  HN) (resid 67 and name  HA)   4.60 0.60 0.00 !!
assign (resid 69 and name  HN) (resid 67 and name  HG2#) 5.00 1.60 0.00 !!
assign (resid 69 and name  HA) (resid 70 and name HN)    2.40 0.40 0.00
assign (resid 69 and name  HN) (resid 70 and name HN)    4.60 2.60 0.00
assign (resid 69 and name  HB1) (resid 70 and name HN)   3.60 1.60 0.00
assign (resid 69 and name  HB2) (resid 70 and name HN)   3.60 1.60 0.00
assign (resid 70 and name  HA) (resid 70 and name HN)    2.80 0.80 0.00
assign (resid 70 and name  HB1) (resid 70 and name HN)   4.40 2.40 0.00
assign (resid 70 and name  HB2) (resid 70 and name HN)   4.40 2.40 0.00
assign (resid 70 and name  HG#) (resid 70 and name HN)   5.40 3.40 0.00
assign (resid 70 and name  HA) (resid 71 and name HN)    3.60 1.60 0.00
assign (resid 70 and name  HN) (resid 71 and name HN)    3.00 0.40 0.00
assign (resid 70 and name  HB1) (resid 71 and name HN)   4.00 2.00 0.00
assign (resid 70 and name  HB2) (resid 71 and name HN)   4.00 2.00 0.00
assign (resid 71 and name  HA) (resid 71 and name HN)    2.80 0.80 0.00
assign (resid 71 and name  HB1) (resid 71 and name HN)   4.40 2.40 0.00
assign (resid 71 and name  HB2) (resid 71 and name HN)   4.40 2.40 0.00
assign (resid 71 and name  HN) (resid 69 and name HA)    4.80 1.00 0.00
assign (resid 71 and name  HA) (resid 72 and name HN)    3.50 1.50 0.00
assign (resid 71 and name  HN) (resid 72 and name HN)    3.00 1.00 0.00
assign (resid 71 and name  HB1) (resid 72 and name HN)   4.00 2.00 0.00
assign (resid 71 and name  HB2) (resid 72 and name HN)   4.00 2.00 0.00
assign (resid 72 and name  HA1) (resid 72 and name HN)   2.40 0.80 0.00
assign (resid 72 and name  HA2) (resid 72 and name HN)   3.00 0.80 0.00
assign (resid 72 and name  HN) (resid 69 and name HA)    4.40 0.80 0.00
assign (resid 72 and name  HA1) (resid 73 and name HN)   3.00 1.50 0.00
assign (resid 72 and name  HA2) (resid 73 and name HN)   3.60 1.50 0.00
assign (resid 72 and name  HN) (resid 73 and name HN)    3.00 1.00 0.00
assign (resid 73 and name  HA) (resid 73 and name HN)    2.80 0.80 0.00
assign (resid 73 and name  HB) (resid 73 and name HN)    2.60 0.60 0.00
assign (resid 73 and name  HG2#) (resid 73 and name HN)  4.40 2.40 0.00
assign (resid 73 and name  HG1#) (resid 73 and name HN)  5.80 3.80 0.00
assign (resid 73 and name  HN) (resid 71 and name HN)    4.80 2.60 0.00
assign (resid 73 and name  HN) (resid 71 and name HA)    4.60 2.40 0.00
assign (resid 73 and name  HA) (resid 74 and name HN)    3.50 1.50 0.00
assign (resid 73 and name  HN) (resid 74 and name HN)    2.80 0.80 0.00
assign (resid 73 and name  HB) (resid 74 and name HN)    3.60 0.60 0.00
assign (resid 73 and name  HG2#) (resid 74 and name HN)  6.40 4.40 0.00
assign (resid 73 and name  HG1#) (resid 74 and name HN)  6.40 4.40 0.00
assign (resid 74 and name  HA) (resid 74 and name HN)    2.80 0.80 0.00
assign (resid 74 and name  HB#) (resid 74 and name HN)   4.40 2.40 0.00
assign (resid 74 and name  HN) (resid 72 and name HN)    4.40 2.20 0.00
assign (resid 74 and name  HN) (resid 72 and name HA2)    4.40 2.00 0.00
assign (resid 74 and name  HN) (resid 71 and name HA)    3.60 1.50 0.00
assign (resid 74 and name  HN) (resid 70 and name HA)    5.40 1.50 0.00
assign (resid 74 and name  HA) (resid 75 and name HN)    3.50 1.50 0.00
assign (resid 74 and name  HN) (resid 75 and name HN)    2.80 0.80 0.00
assign (resid 74 and name  HB#) (resid 75 and name HN)   5.00 3.00 0.00
assign (resid 75 and name  HA1) (resid 75 and name HN)   2.90 0.80 0.00
assign (resid 75 and name  HA2) (resid 75 and name HN)   2.70 0.70 0.00
assign (resid 75 and name  HN) (resid 73 and name HN)    4.60 2.20 0.00 !
assign (resid 75 and name  HN) (resid 73 and name HA)    4.60 2.40 0.00 !
assign (resid 75 and name  HN) (resid 72 and name HA2)   3.50 1.50 0.00 !
assign (resid 75 and name  HA1) (resid 76 and name  HN)  3.60 1.60 0.00
assign (resid 75 and name  HA2) (resid 76 and name  HN)  3.60 1.60 0.00
assign (resid 75 and name  HN) (resid 76 and name  HN)  2.80 0.80 0.00
assign (resid 76 and name  HA) (resid 76 and name  HN)  2.70 0.70 0.00  
assign (resid 76 and name  HB1) (resid 76 and name  HN)  4.00 2.00 0.00
assign (resid 76 and name  HB2) (resid 76 and name  HN)  4.00 2.00 0.00
assign (resid 76  and name HN) (resid 72  and name  HA2) 4.80 2.20 0.00
assign (resid 76  and name HN) (resid 73  and name  HA)  3.40 1.40 0.00 
assign (resid 76  and name HN) (resid 74  and name  HA)  4.40 2.40 0.00
assign (resid 76  and name HN) (resid 74  and name  HN)  4.20 2.20 0.00 
assign (resid 76 and name  HA) (resid 77 and name  HN)  3.60 1.60 0.00
assign (resid 76 and name  HN) (resid 77 and name  HN)  2.80 0.80 0.00
assign (resid 76 and name  HB1) (resid 77 and name  HN)  4.00 2.00 0.00
assign (resid 76 and name  HB2) (resid 77 and name  HN)  4.00 2.00 0.00
assign (resid 77 and name  HA) (resid 77 and name  HN)  2.70 0.70 0.00  
assign (resid 77 and name  HB) (resid 77 and name  HN)   3.20 1.20 0.00
assign (resid 77 and name  HG2#) (resid 77 and name HN)  5.40 3.40 0.00
assign (resid 77  and name HN) (resid 73  and name  HA)  4.20 2.20 0.00
assign (resid 77  and name HN) (resid 74 and name  HA)   3.40 1.40 0.00 
assign (resid 77  and name HN) (resid 75  and name  HA2) 4.40 2.40 0.00
assign (resid 77  and name HN) (resid 75  and name  HN)  4.20 2.20 0.00 
assign (resid 77  and name HN) (resid 36 and name  HD#)  7.00 4.80 0.00 !
assign (resid 77  and name HN) (resid 36 and name  HE#)  6.40 4.40 0.00 !
assign (resid 77 and name  HA) (resid 78 and name  HN)  3.60 1.60 0.00
assign (resid 77 and name  HN) (resid 78 and name  HN)  2.80 0.80 0.00
assign (resid 77 and name  HB) (resid 78 and name  HN)   3.60 1.60 0.00
assign (resid 77 and name  HG2#) (resid 78 and name HN)  4.40 2.40 0.00
assign (resid 78 and name  HA) (resid 78 and name  HN)  2.70 0.70 0.00  
assign (resid 78 and name  HB#) (resid 78 and name  HN)  4.80 2.80 0.00
assign (resid 78  and name HN) (resid 74  and name  HA)  4.20 2.20 0.00 !
assign (resid 78  and name HN) (resid 75 and name  HA2)  3.60 1.60 0.00 !
assign (resid 78  and name HN) (resid 76  and name  HA)  4.40 2.40 0.00 !
assign (resid 78  and name HN) (resid 76  and name  HN)  4.20 2.20 0.00 !
assign (resid 78 and name  HA) (resid 79 and name  HN)  3.60 1.60 0.00
assign (resid 78 and name  HN) (resid 79 and name  HN)  2.80 0.80 0.00
assign (resid 78 and name  HB#) (resid 79 and name  HN)  4.60 2.60 0.00
assign (resid 79 and name  HA) (resid 79 and name HN)    2.80 0.80 0.00
assign (resid 79 and name  HB1) (resid 79 and name HN)   2.80 0.80 0.00
assign (resid 79 and name  HB2) (resid 79 and name HN)   2.80 0.80 0.00
assign (resid 79  and name HN) (resid 75  and name  HA2) 4.80 2.20 0.00 !
assign (resid 79  and name HN) (resid 76 and name  HA)   3.40 1.40 0.00 !
assign (resid 79  and name HN) (resid 77  and name  HA)  4.40 2.40 0.00 !
assign (resid 79  and name HN) (resid 77  and name  HN)  4.20 2.20 0.00 !
assign (resid 79 and name  HA) (resid 80 and name  HN)  3.60 1.60 0.00
assign (resid 79 and name  HN) (resid 80 and name  HN)  2.80 0.80 0.00
assign (resid 79 and name  HB1) (resid 80 and name  HN)  3.60 1.60 0.00
assign (resid 79 and name  HB2) (resid 80 and name  HN)  3.60 1.60 0.00
assign (resid 80 and name  HA) (resid 80 and name HN)    2.80 0.80 0.00
assign (resid 80 and name  HB1) (resid 80 and name HN)   4.00 2.00 0.00
assign (resid 80 and name  HB2) (resid 80 and name HN)   4.00 2.00 0.00
assign (resid 80  and name HN) (resid 76  and name  HA)  4.20 2.20 0.00 !
assign (resid 80  and name HN) (resid 77 and name  HA)   3.60 1.40 0.00 !
assign (resid 80  and name HN) (resid 78  and name  HA)  4.40 2.40 0.00 !
assign (resid 80  and name HN) (resid 78  and name  HN)  4.20 2.20 0.00 !
assign (resid 80 and name  HA) (resid 81 and name  HN)  3.60 1.60 0.00
assign (resid 80 and name  HN) (resid 81 and name  HN)  2.80 0.80 0.00
assign (resid 80 and name  HB1) (resid 81 and name  HN)  3.60 1.60 0.00
assign (resid 80 and name  HB2) (resid 81 and name  HN)  3.60 1.60 0.00
assign (resid 81 and name  HA) (resid 81 and name HN)    2.80 0.80 0.00
assign (resid 81 and name  HB1) (resid 81 and name HN)   3.00 1.00 0.00
assign (resid 81 and name  HB2) (resid 81 and name HN)   3.00 1.00 0.00
assign (resid 81  and name HN) (resid 77  and name  HA)  4.20 2.20 0.00 !
assign (resid 81  and name HN) (resid 78 and name  HA)   3.40 1.40 0.00 !
assign (resid 81  and name HN) (resid 79  and name  HA)  4.40 2.40 0.00 !
assign (resid 81  and name HN) (resid 79  and name  HN)  4.20 2.20 0.00 !
assign (resid 81 and name  HA) (resid 82 and name  HN)  3.60 1.60 0.00
assign (resid 81 and name  HN) (resid 82 and name  HN)  2.80 0.80 0.00
assign (resid 81 and name  HB1) (resid 82 and name  HN)  3.60 1.60 0.00
assign (resid 81 and name  HB2) (resid 82 and name  HN)  4.00 2.00 0.00
assign (resid 82 and name  HA) (resid 82 and name HN)    2.80 0.80 0.00
assign (resid 82 and name  HB) (resid 82 and name HN)    2.80 0.80 0.00
assign (resid 82 and name  HG1#) (resid 82 and name HN)  6.00 4.00 0.00
assign (resid 82 and name  HG2#) (resid 82 and name HN)  4.80 2.80 0.00
assign (resid 82  and name HN) (resid 78  and name  HA)  4.20 2.20 0.00 !
assign (resid 82  and name HN) (resid 79 and name  HA)   3.40 1.40 0.00 !
assign (resid 82  and name HN) (resid 80  and name  HA)  4.40 2.40 0.00 !
assign (resid 82  and name HN) (resid 80  and name  HN)  4.20 2.20 0.00 !
assign (resid 82 and name  HA) (resid 83 and name  HN)  3.60 1.60 0.00
assign (resid 82 and name  HN) (resid 83 and name  HN)  2.80 0.80 0.00
assign (resid 82 and name  HB) (resid 83 and name  HN)   3.60 1.60 0.00
assign (resid 82 and name  HG1#) (resid 83 and name HN)  5.40 3.40 0.00
assign (resid 82 and name  HG2#) (resid 83 and name HN)  5.40 3.40 0.00
assign (resid 83 and name  HA) (resid 83 and name  HN)  3.60 1.60 0.00
assign (resid 83 and name  HB1) (resid 83 and name  HN)  3.00 1.00 0.00
assign (resid 83 and name  HB2) (resid 83 and name  HN)  3.60 1.60 0.00
assign (resid 83  and name HN) (resid 79  and name  HA)  4.20 2.20 0.00 !
assign (resid 83  and name HN) (resid 80 and name  HA)   3.40 1.40 0.00 !
assign (resid 83  and name HN) (resid 81  and name  HA)  4.40 2.40 0.00 !
assign (resid 83  and name HN) (resid 81  and name  HN)  4.20 2.20 0.00 !
assign (resid 83 and name  HA) (resid 84 and name  HN)  3.60 1.60 0.00
assign (resid 83 and name  HN) (resid 84 and name  HN)  2.80 0.80 0.00
assign (resid 83 and name  HB1) (resid 84 and name  HN)  3.60 1.60 0.00
assign (resid 83 and name  HB2) (resid 84 and name  HN)  3.60 1.60 0.00
assign (resid 84 and name  HA) (resid 84 and name  HN)  2.80 0.80 0.00
assign (resid 84 and name  HB1) (resid 84 and name  HN)  3.60 1.60 0.00
assign (resid 84 and name  HB2) (resid 84 and name  HN)  3.60 1.60 0.00
assign (resid 84  and name HN) (resid 61  and name  HG2#) 6.40 3.40 0.00 !
assign (resid 84  and name HN) (resid 80  and name  HA)  4.20 2.20 0.00 !
assign (resid 84  and name HN) (resid 81 and name  HA)   3.40 1.40 0.00 !
assign (resid 84  and name HN) (resid 82  and name  HA)  4.40 2.40 0.00 !
assign (resid 84  and name HN) (resid 82  and name  HN)  4.20 2.20 0.00 !
assign (resid 84 and name  HA) (resid 85 and name  HN)  3.60 1.60 0.00
assign (resid 84 and name  HN) (resid 85 and name  HN)  2.80 0.80 0.00
assign (resid 84 and name  HB1) (resid 85 and name  HN)  3.60 1.60 0.00
assign (resid 84 and name  HB2) (resid 85 and name  HN)  3.60 1.60 0.00
assign (resid 85 and name  HA) (resid 85 and name  HN)  2.80 0.80 0.00
assign (resid 85 and name  HB#) (resid 85 and name  HN)  4.40 2.40 0.00
assign (resid 85  and name HN) (resid 61  and name  HD1#) 5.40 2.60 0.00 !
assign (resid 85  and name HN) (resid 81  and name  HA)  4.20 2.20 0.00 !
assign (resid 85  and name HN) (resid 82 and name  HA)   3.40 1.40 0.00 !
assign (resid 85  and name HN) (resid 83  and name  HA)  4.40 2.40 0.00 !
assign (resid 85  and name HN) (resid 83  and name  HN)  4.20 2.20 0.00 !
assign (resid 85  and name HN) (resid 90  and name HD1#) 6.80 4.80 0.00 !!
assign (resid 85 and name  HA) (resid 86 and name  HN)  3.60 1.60 0.00
assign (resid 85 and name  HN) (resid 86 and name  HN)  2.80 0.80 0.00
assign (resid 85 and name  HB#) (resid 86 and name  HN)  4.60 2.60 0.00
assign (resid 86 and name  HA) (resid 86 and name  HN)  2.80 0.80 0.00
assign (resid 86 and name  HB1) (resid 86 and name  HN)  3.60 1.60 0.00
assign (resid 86 and name  HB2) (resid 86 and name  HN)  3.60 1.60 0.00
assign (resid 86  and name HN) (resid 91  and name HD1#) 6.80 2.80 0.00 !
assign (resid 86  and name HN) (resid 91  and name HG2#) 6.80 2.80 0.00 !
assign (resid 86  and name HN) (resid 82  and name  HA)  4.20 2.20 0.00 !
assign (resid 86  and name HN) (resid 83 and name  HA)   3.40 1.40 0.00 !
assign (resid 86  and name HN) (resid 84  and name  HA)  4.40 2.40 0.00 !
assign (resid 86  and name HN) (resid 84  and name  HN)  4.20 2.20 0.00 !
assign (resid 86 and name  HA) (resid 87 and name  HN)  3.60 1.60 0.00
assign (resid 86 and name  HN) (resid 87 and name  HN)  2.80 0.80 0.00
assign (resid 86 and name  HB1) (resid 87 and name  HN)  3.60 1.60 0.00
assign (resid 86 and name  HB2) (resid 87 and name  HN)  3.60 1.60 0.00
assign (resid 87 and name  HA) (resid 87 and name  HN)  2.80 0.80 0.00
assign (resid 87 and name  HB1) (resid 87 and name  HN)  3.60 1.60 0.00
assign (resid 87 and name  HB2) (resid 87 and name  HN)  3.60 1.60 0.00
assign (resid 87 and name  HG#) (resid 87 and name  HN)  5.40 3.40 0.00
assign (resid 87  and name HN) (resid 83  and name  HA)  4.20 2.20 0.00 !
assign (resid 87  and name HN) (resid 84 and name  HA)   3.40 1.40 0.00 !
assign (resid 87  and name HN) (resid 85  and name  HA)  4.40 2.40 0.00 !
assign (resid 87  and name HN) (resid 85  and name  HN)  4.20 2.20 0.00 !
assign (resid 87 and name  HA) (resid 88 and name  HN)  3.60 1.60 0.00
assign (resid 87 and name  HN) (resid 88 and name  HN)  2.80 0.80 0.00
assign (resid 87 and name  HB1) (resid 88 and name  HN)  4.00 2.00 0.00
assign (resid 87 and name  HB2) (resid 88 and name  HN)  3.60 1.60 0.00
assign (resid 88 and name  HA) (resid 88 and name  HN)  2.80 0.80 0.00
assign (resid 88 and name  HB1) (resid 88 and name  HN)  3.60 1.60 0.00
assign (resid 88 and name  HB2) (resid 88 and name  HN)  3.60 1.60 0.00
assign (resid 88 and name  HG#) (resid 88 and name  HN)  5.40 3.40 0.00
assign (resid 88  and name HN) (resid 85 and name  HA)  3.80 1.40 0.00 !
assign (resid 88  and name HN) (resid 86  and name  HA) 4.40 2.40 0.00 !
assign (resid 88  and name HN) (resid 86  and name  HN) 4.20 2.20 0.00 !
assign (resid 88 and name  HA) (resid 89 and name  HN)  3.60 1.60 0.00
assign (resid 88 and name  HN) (resid 89 and name  HN)  2.80 0.60 0.00
assign (resid 88 and name  HB1) (resid 89 and name  HN)  4.00 2.00 0.00
assign (resid 88 and name  HB2) (resid 89 and name  HN)  3.60 1.60 0.00
assign (resid 89 and name  HA1) (resid 89 and name  HN)  2.60 0.60 0.00
assign (resid 89 and name  HA2) (resid 89 and name  HN)  2.90 0.90 0.00
assign (resid 89  and name HN) (resid 87  and name  HN) 5.00 0.40 0.00 !
assign (resid 89 and name  HA1) (resid 90 and name  HN)  3.60 1.60 0.00
assign (resid 89 and name  HA2) (resid 90 and name  HN)  3.60 1.60 0.00
assign (resid 89 and name  HN) (resid 90 and name  HN)  2.80 0.60 0.00
assign (resid 90 and name  HA) (resid 90 and name  HN)  2.80 0.80 0.00
assign (resid 90 and name  HB1) (resid 90 and name  HN)  3.60 1.60 0.00
assign (resid 90 and name  HB2) (resid 90 and name  HN)  3.60 1.60 0.00
assign (resid 90 and name  HD1#) (resid 90 and name HN)  6.00 4.00 0.00
assign (resid 90 and name  HD2#) (resid 90 and name HN)  6.00 4.00 0.00
assign (resid 90 and name  HN) (resid 85 and name HA)    4.00 0.80 0.00 !!
assign (resid 90 and name  HN) (resid 85 and name O)    2.40 0.40 0.00 !!
assign (resid 90 and name  HN) (resid 61 and name HD1#)  7.00 4.80 0.00 !!
assign (resid 90 and name  HA) (resid 91 and name  HN)  3.60 1.60 0.00
assign (resid 90 and name  HN) (resid 91 and name  HN)  2.40 0.20 0.00
assign (resid 90 and name  HB1) (resid 91 and name  HN)  3.60 1.60 0.00
assign (resid 90 and name  HB2) (resid 91 and name  HN)  3.60 1.60 0.00
assign (resid 90 and name  HD1#) (resid 91 and name  HN) 6.60 4.60 0.00
assign (resid 90 and name  HD2#) (resid 91 and name  HN) 6.60 4.60 0.00
assign (resid 91 and name  HA) (resid 91 and name  HN)  2.80 0.80 0.00
assign (resid 91 and name  HG2#) (resid 91 and name HN)  4.80 2.80 0.00
assign (resid 91 and name  HD#) (resid 91 and name  HN)  6.40 4.40 0.00
assign (resid 91 and name  HN) (resid 86 and name  HA)   3.20 0.60 0.00 !
assign (resid 91 and name  HN) (resid 89 and name  HA2)  4.80 0.80 0.00 !
assign (resid 91 and name  HN) (resid 89 and name  HN)  4.60 0.80 0.00 
assign (resid 91 and name  HN) (resid 85 and name  HA)  4.60 0.20 0.00 !
assign (resid 91 and name  HA) (resid 92 and name  HN)  2.40 0.40 0.00
assign (resid 91 and name  HN) (resid 92 and name  HN)  4.60 2.60 0.00
assign (resid 91 and name  HG2#) (resid 92 and name HN)  5.40 3.40 0.00
assign (resid 91 and name  HD#) (resid 92 and name  HN)  6.80 4.80 0.00
assign (resid 92 and name  HA) (resid 92 and name  HN)  2.90 0.90 0.00
assign (resid 92 and name  HB1) (resid 92 and name  HN)  4.00 2.00 0.00
assign (resid 92 and name  HB2) (resid 92 and name  HN)  4.00 2.00 0.00
assign (resid 92 and name  HA) (resid 93 and name  HN)  2.60 0.40 0.00
assign (resid 92 and name  HN) (resid 93 and name  HN)  4.60 0.80 0.00
assign (resid 92 and name  HA) (resid 93 and name  HN)  2.60 0.40 0.00
assign (resid 92 and name  HN) (resid 93 and name  HN)  4.60 0.80 0.00
assign (resid 92 and name  HB1) (resid 93 and name  HN)  3.60 1.60 0.00
assign (resid 92 and name  HB2) (resid 93 and name  HN)  3.60 1.60 0.00
assign (resid 93 and name  HA) (resid 93 and name  HN)  2.80 0.80 0.00
assign (resid 93 and name  HB1) (resid 93 and name  HN)  4.20 2.20 0.00
assign (resid 93 and name  HB2) (resid 93 and name  HN)  4.20 2.20 0.00
assign (resid 93 and name  HA) (resid 94 and name  HN)  3.60 1.60 0.00
assign (resid 93 and name  HN) (resid 94 and name  HN)  2.80 0.80 0.00
assign (resid 93 and name  HB1) (resid 94 and name  HN)  4.20 2.20 0.00
assign (resid 93 and name  HB2) (resid 94 and name  HN)  4.20 2.20 0.00
assign (resid 94 and name  HA) (resid 94 and name  HN)  2.80 0.80 0.00
assign (resid 94 and name  HB1) (resid 94 and name  HN)  3.60 1.60 0.00
assign (resid 94 and name  HB2) (resid 94 and name  HN)  3.60 1.60 0.00
assign (resid 94 and name  HA) (resid 95 and name  HN)  3.60 1.60 0.00
assign (resid 94 and name  HN) (resid 95 and name  HN)  2.80 0.80 0.00
assign (resid 94 and name  HB1) (resid 95 and name  HN)  4.20 2.20 0.00
assign (resid 94 and name  HB2) (resid 95 and name  HN)  4.20 2.20 0.00
assign (resid 95 and name  HA) (resid 95 and name  HN)  2.80 0.80 0.00
assign (resid 95 and name  HB1) (resid 95 and name  HN)  3.60 1.60 0.00
assign (resid 95 and name  HB2) (resid 95 and name  HN)  3.60 1.60 0.00
assign (resid 95 and name  HN) (resid 93 and name  HN)  4.60 2.20 0.00 !
assign (resid 95 and name  HN) (resid 93 and name  HA)  4.60 2.40 0.00 !
assign (resid 95 and name  HN) (resid 92 and name  HN)  4.60 0.60 0.00 !
assign (resid 95 and name  HA) (resid 96 and name  HN)  3.60 1.60 0.00
assign (resid 95 and name  HN) (resid 96 and name  HN)  2.80 0.80 0.00
assign (resid 95 and name  HB1) (resid 96 and name  HN)  4.20 2.20 0.00
assign (resid 95 and name  HB2) (resid 96 and name  HN)  4.20 2.20 0.00
assign (resid 96 and name  HA) (resid 96 and name  HN)  2.80 0.80 0.00
assign (resid 96 and name  HB#) (resid 96 and name  HN)  4.60 2.60 0.00
assign (resid 96 and name  HN) (resid 91 and name  HG2#) 5.80 3.40 0.00
assign (resid 96 and name  HN) (resid 94 and name  HN)  4.40 2.20 0.00 !
assign (resid 96 and name  HN) (resid 94 and name  HA)  4.40 2.40 0.00 !
assign (resid 96 and name  HN) (resid 93 and name  HA)  3.80 1.50 0.00 !
assign (resid 96 and name  HN) (resid 92 and name  HN)  4.80 0.80 0.00 !
assign (resid 96 and name  HA) (resid 97 and name  HN)  3.60 1.60 0.00
assign (resid 96 and name  HN) (resid 97 and name  HN)  2.80 0.80 0.00
assign (resid 96 and name  HB#) (resid 97 and name  HN)  4.80 2.80 0.00
assign (resid 97 and name  HA) (resid 97 and name  HN)  2.80 0.80 0.00
assign (resid 97 and name  HB1) (resid 97 and name  HN)  3.60 1.60 0.00
assign (resid 97 and name  HB2) (resid 97 and name  HN)  3.60 1.60 0.00
assign (resid 97 and name  HN) (resid 95 and name  HN)  4.20 2.20 0.00 !
assign (resid 97 and name  HN) (resid 95 and name  HA)  4.40 2.40 0.00 !
assign (resid 97 and name  HN) (resid 94 and name  HA)  3.50 1.50 0.00 !
assign (resid 97 and name  HA) (resid 98 and name  HN)  3.60 1.60 0.00
assign (resid 97 and name  HN) (resid 98 and name  HN)  2.80 0.80 0.00
assign (resid 97 and name  HB1) (resid 98 and name  HN)  4.20 2.20 0.00
assign (resid 97 and name  HB2) (resid 98 and name  HN)  4.20 2.20 0.00
assign (resid 98 and name  HA) (resid 98 and name  HN)  2.80 0.80 0.00
assign (resid 98 and name  HB1) (resid 98 and name  HN)  4.00 2.00 0.00
assign (resid 98 and name  HB2) (resid 98 and name  HN)  4.00 2.00 0.00
assign (resid 98  and name HN) (resid 94  and name  HA)  4.20 2.20 0.00 !
assign (resid 98  and name HN) (resid 95 and name  HA)   3.40 1.40 0.00 !
assign (resid 98  and name HN) (resid 96  and name  HA)  4.40 2.40 0.00 !
assign (resid 98  and name HN) (resid 96  and name  HN)  4.20 2.20 0.00 !
assign (resid 98 and name  HA) (resid 99 and name  HN)  3.60 1.60 0.00
assign (resid 98 and name  HN) (resid 99 and name  HN)  2.80 0.80 0.00
assign (resid 98 and name  HB1) (resid 99 and name HN)   3.60 1.60 0.00
assign (resid 98 and name  HB2) (resid 99 and name HN)   3.60 1.60 0.00
assign (resid 99 and name  HA) (resid 99 and name  HN)  2.80 0.80 0.00
assign (resid 99 and name  HB1) (resid 99 and name  HN)  3.00 1.00 0.00
assign (resid 99 and name  HB2) (resid 99 and name  HN)  3.00 1.00 0.00
assign (resid 99  and name HN) (resid 95  and name  HA)  4.20 2.20 0.00 !
assign (resid 99  and name HN) (resid 96 and name  HA)   3.40 1.40 0.00 !
assign (resid 99  and name HN) (resid 97  and name  HA)  4.40 2.40 0.00 !
assign (resid 99  and name HN) (resid 97  and name  HN)  4.20 2.20 0.00 !
assign (resid 99 and name  HA) (resid 100 and name  HN)  3.60 1.60 0.00
assign (resid 99 and name  HN) (resid 100 and name  HN)  2.80 0.80 0.00
assign (resid 99 and name  HB1) (resid 100 and name HN)  3.60 1.60 0.00
assign (resid 99 and name  HB2) (resid 100 and name HN)  3.60 1.60 0.00
assign (resid 99 and name  HE3) (resid 100 and name HN)  4.00 0.60 0.00
assign (resid 100 and name  HA) (resid 100 and name  HN) 2.80 0.80 0.00
assign (resid 100 and name  HB1) (resid 100 and name HN) 4.40 2.00 0.00
assign (resid 100 and name  HB2) (resid 100 and name HN) 4.40 2.00 0.00
assign (resid 100 and name  HD1#) (resid 100 and name HN) 5.40 3.40 0.00
assign (resid 100 and name  HD2#) (resid 100 and name  HN) 5.40 3.40 0.00
assign (resid 100  and name HN) (resid 96  and name HA)  4.20 2.20 0.00 !
assign (resid 100  and name HN) (resid 97 and name  HA)   3.40 1.40 0.00 !
assign (resid 100  and name HN) (resid 98  and name  HA)  4.40 2.40 0.00 !
assign (resid 100  and name HN) (resid 98  and name  HN)  4.20 2.20 0.00 !
assign (resid 100 and name  HA) (resid 101 and name  HN) 3.60 1.60 0.00
assign (resid 100 and name  HN) (resid 101 and name  HN) 2.80 0.80 0.00
assign (resid 100 and name  HB1) (resid 101 and name HN)  3.60 1.60 0.00
assign (resid 100 and name  HB2) (resid 101 and name HN)  3.60 1.60 0.00
assign (resid 101 and name  HA) (resid 101 and name  HN)  2.80 0.80 0.00
assign (resid 101 and name  HB1) (resid 101 and name  HN)  4.40 2.00 0.00
assign (resid 101 and name  HB2) (resid 101 and name  HN)  4.40 2.00 0.00
assign (resid 101  and name HN) (resid 97  and name HA)  4.20 2.20 0.00 !
assign (resid 101  and name HN) (resid 98 and name  HA)   3.40 1.40 0.00 !
assign (resid 101  and name HN) (resid 99  and name  HA)  4.40 2.40 0.00 !
assign (resid 101 and name HN) (resid 99  and name  HN)  4.20 2.20 0.00 !
assign (resid 101 and name  HA) (resid 101 and name  HN)  2.80 0.80 0.00
assign (resid 101 and name  HB1) (resid 101 and name  HN)  4.40 2.00 0.00
assign (resid 101 and name  HB2) (resid 101 and name  HN)  4.40 2.00 0.00
assign (resid 101 and name  HA) (resid 102 and name  HN)  3.60 1.60 0.00
assign (resid 101 and name  HN) (resid 102 and name  HN)  2.80 0.80 0.00
assign (resid 101 and name  HB1) (resid 102 and name HN)  3.60 1.60 0.00
assign (resid 101 and name  HB2) (resid 102 and name HN)  3.60 1.60 0.00
assign (resid 102 and name  HA) (resid 102 and name  HN)  2.80 0.80 0.00
assign (resid 102 and name  HB1) (resid 102 and name  HN)  4.40 2.00 0.00
assign (resid 102 and name  HB2) (resid 102 and name  HN)  4.40 2.00 0.00
assign (resid 21 and name  HA) (resid 21 and name  HD1#) 3.80 1.80 0.00 !
assign (resid 21 and name  HA) (resid 21 and name  HD2#) 5.00 3.00 0.00 !
assign (resid 22 and name  HA) (resid 27 and name  HA) 3.20 0.60 0.00 !
assign (resid 22 and name  HA) (resid 27 and name  HB) 2.80 0.40 0.00 !
assign (resid 27 and name  HB) (resid 22 and name  HB2) 4.80 3.40 0.00 !
assign (resid 19 and name  HA) (resid 22 and name  HB1) 4.40 1.60 0.00 !
assign (resid 19 and name  HA) (resid 22 and name  HB2) 4.40 1.80 0.00 !
assign (resid 66 and name  HA) (resid 50 and name  HA) 2.30 0.20 0.00 !
assign (resid 66 and name  HA) (resid 50 and name  HB1) 5.20 3.20 0.00 !
assign (resid 66 and name  HA) (resid 50 and name  HB2) 5.20 3.20 0.00 !
assign (resid 50 and name  HA) (resid 66 and name  HB1) 5.20 3.20 0.00 !
assign (resid 50 and name  HA) (resid 66 and name  HB2) 5.20 3.20 0.00 !
assign (resid 53 and name  HA) (resid 36 and name  HA) 2.30 0.20 0.00 !
assign (resid 53 and name  HA) (resid 36 and name  HB1) 5.20 3.20 0.00 !
assign (resid 53 and name  HA) (resid 36 and name  HB2) 5.20 3.20 0.00 !
assign (resid 53 and name  HA) (resid 77 and name  HG2#) 6.20 4.20 0.00 !
assign (resid 36 and name  HA) (resid 53 and name  HB1) 5.20 3.20 0.00 !
assign (resid 36 and name  HA) (resid 53 and name  HB2) 5.20 3.20 0.00 !
assign (resid 36 and name  HA) (resid 77 and name  HG2#) 6.20 4.20 0.00 !
assign (resid 51 and name  HA2) (resid 38 and name  HA) 2.40 0.20 0.00 !
assign (resid 51 and name  HA1) (resid 38 and name  HA) 2.80 0.80 0.00 !
assign (resid 51 and name  HA1) (resid 38 and name  HG2#) 4.40 2.40 0.00 !
assign (resid 51 and name  HA2) (resid 38 and name  HG2#) 5.40 3.40 0.00 !
assign (resid 50 and name  HA) (resid 73 and name  HG1#) 6.40 4.40 0.00 !!
assign (resid 50 and name  HA) (resid 73 and name  HG2#) 7.40 5.40 0.00 !!
assign (resid 26 and name  HA) (resid 35 and name  HA) 2.40 0.20 0.00 !
assign (resid 26 and name  HA) (resid 36 and name  HB1) 4.80 0.60 0.00 !
assign (resid 26 and name  HA) (resid 36 and name  HB2) 5.80 1.20 0.00 !
assign (resid 36 and name  HA) (resid 35 and name  HB1) 5.40 3.20 0.00 !
assign (resid 62 and name  HA) (resid 54 and name  HA) 3.20 0.40 0.00 !
assign (resid 62 and name  HA) (resid 54 and name  HB1) 4.40 2.40 0.00 !
assign (resid 62 and name  HA) (resid 54 and name  HB2) 4.40 2.40 0.00 !
assign (resid 54 and name  HA) (resid 62 and name  HB1) 5.00 3.00 0.00 !
assign (resid 54 and name  HA) (resid 62 and name  HB2) 5.00 3.00 0.00 !
assign (resid 37 and name  HA) (resid 25 and name  HA) 5.40 3.40 0.00 !
assign (resid 37 and name  HA) (resid 25 and name  HB1) 4.80 2.40 0.00 !
assign (resid 37 and name  HA) (resid 25 and name  HB2) 4.80 2.40 0.00 !
assign (resid 25 and name  HA) (resid 37 and name  HG2#) 6.00 4.00 0.00 !
assign (resid 64 and name  HA) (resid 52 and name  HA) 2.40 0.20 0.00 !
assign (resid 64 and name  HA) (resid 77 and name  HG2#) 4.00 1.00 0.00 !
assign (resid 52 and name  HA) (resid 77 and name  HG2#) 4.00 1.00 0.00 !
assign (resid 64 and name  HA) (resid 52 and name  HD1) 5.00 3.00 0.00 !
assign (resid 64 and name  HA) (resid 52 and name  HD2) 5.00 3.00 0.00 !
assign (resid 64 and name  HA) (resid 77 and name  HG2#) 5.00 3.00 0.00 !!
assign (resid 52 and name  HA) (resid 64 and name  HG1) 5.00 3.00 0.00 !
assign (resid 52 and name  HA) (resid 64 and name  HG2) 5.00 3.00 0.00 !
assign (resid 52 and name  HA) (resid 77 and name  HG2#) 5.00 3.00 0.00 !!
assign (resid 28 and name  HA) (resid 33 and name  HA) 2.80 0.80 0.00 !
assign (resid 55 and name  HA) (resid 34 and name  HA) 2.40 0.40 0.00 !
assign (resid 55 and name  HA) (resid 34 and name  HB1) 5.40 3.00 0.00 !
assign (resid 55 and name  HA) (resid 34 and name  HB2) 5.40 3.00 0.00 !
assign (resid 34 and name  HA) (resid 55 and name  HB1) 5.40 2.40 0.00 !
assign (resid 34 and name  HA) (resid 55 and name  HB2) 4.80 2.40 0.00 !
assign (resid 40 and name  HA) (resid 49 and name  HA) 2.40 0.20 0.00 !
assign (resid 40 and name  HA) (resid 49 and name  HB1) 5.00 3.00 0.00 !
assign (resid 40 and name  HA) (resid 49 and name  HB2) 5.00 3.00 0.00 !
assign (resid 49 and name  HA) (resid 40 and name  HB1) 5.00 3.00 0.00 !
assign (resid 49 and name  HA) (resid 40 and name  HB2) 5.00 3.00 0.00 !
assign (resid 42 and name  HA) (resid 47 and name  HA) 2.60 0.30 0.00 !
assign (resid 42 and name  HA) (resid 47 and name  HG1#) 7.00 5.00 0.00 !!
assign (resid 42 and name  HA) (resid 47 and name  HG2#) 7.00 5.00 0.00 !!
assign (resid 7 and name  HA) (resid 10 and name  HB) 4.00 2.00 0.00 !
assign (resid 8 and name  HA) (resid 11 and name  HB#) 5.00 3.00 0.00 !
assign (resid 94 and name  HA) (resid 97 and name  HB1) 5.00 3.00 0.00 !
assign (resid 94 and name  HA) (resid 97 and name  HB2) 5.00 3.00 0.00 !
assign (resid 96 and name  HA) (resid 99 and name  HB1) 4.40 2.40 0.00 !
assign (resid 96 and name  HA) (resid 99 and name  HB2) 4.60 2.60 0.00 !
assign (resid 96 and name  HB#) (resid 91 and name  HG2#) 6.40 4.20 0.00 !!
assign (resid 83 and name  HA) (resid 86 and name  HB1) 3.60 1.60 0.00 !
assign (resid 83 and name  HA) (resid 86 and name  HB2) 3.60 1.60 0.00 !
assign (resid 76 and name  HA) (resid 79 and name  HB#) 5.40 3.40 0.00 !
assign (resid 16 and name  HA) (resid 19 and name  HB#) 6.40 4.40 0.00 !
assign (resid 84 and name  HA) (resid 87 and name  HB1) 4.40 2.40 0.00 !
assign (resid 84 and name  HA) (resid 87 and name  HB2) 4.60 2.60 0.00 !
assign (resid 74 and name  HA) (resid 77 and name  HG2#) 6.00 4.00 0.00 !
assign (resid 59 and name  HB) (resid 90 and name  HD1#) 5.00 3.00 0.00 !!
assign (resid 59 and name  HB) (resid 90 and name  HD2#) 5.40 3.00 0.00 !!
assign (resid 73 and name  HA) (resid 67 and name  HG2#) 4.60 2.20 0.00 !!
assign (resid 73 and name  HB) (resid 67 and name  HG2#) 5.00 2.20 0.00 !!
assign (resid 77 and name  HA) (resid 65 and name  HB#) 4.80 2.00 0.00 !!
assign (resid 85 and name  HA) (resid 61 and name  HD1#) 4.80 2.60 0.00 !!
assign (resid 85 and name  HB#) (resid 61 and name  HD1#) 6.80 4.80 0.00 !!
assign (resid 90 and name  HD1#) (resid 61 and name  HD#) 6.80 4.80 0.00 !!
assign (resid 85 and name  HA) (resid 90 and name  HB2) 3.80 0.80 0.00 !!
assign (resid 85 and name  HA) (resid 90 and name  HG) 4.40 0.60 0.00 !!
assign (resid 85 and name  HA) (resid 90 and name  HB1) 4.40 0.60 0.00 !!
assign (resid 85 and name  HA) (resid 90 and name  HD1#) 6.40 2.00 0.00 !!
assign (resid 49 and name  HB1) (resid 67 and name  HG2#) 5.40 3.40 0.00 !
assign (resid 49 and name  HB2) (resid 67 and name  HG2#) 5.40 3.40 0.00 !
assign (resid 85 and name  HB#) (resid 91 and name  HD#) 6.80 4.00 0.00 !!
assign (resid 77 and name  HG2#) (resid 53 and name  HB1) 5.00 3.00 0.00 !!
assign (resid 77 and name  HG2#) (resid 53 and name  HG1) 5.00 3.00 0.00 !!
assign (resid 91 and name  HD#) (resid 29 and name  HD1#) 7.20 4.80 0.00 !!
assign (resid 99 and name  HZ2) (resid 29 and name  HA) 2.80 1.20 0.00 !!
assign (resid 99 and name  HE1) (resid 29 and name  HA) 4.40 2.00 0.00 !!
assign (resid 99 and name  HH2) (resid 29 and name  HA) 4.80 1.00 0.00 !
assign (resid 99 and name  HZ2) (resid 29 and name  HD2#) 5.40 1.60 0.00 !!
assign (resid 99 and name  HH2) (resid 29 and name  HD2#) 5.40 1.60 0.00 !!
assign (resid 99 and name  HZ3) (resid 29 and name  HD2#) 5.60 1.60 0.00 !!
assign (resid 99 and name  HE3) (resid 29 and name  HD2#) 6.80 2.40 0.00 !!
assign (resid 99 and name  HZ2) (resid 30 and name  HN) 4.00 1.60 0.00 !!
assign (resid 99 and name  HE1) (resid 30 and name  HN) 3.00 0.60 0.00 !!
assign (resid 99 and name  HE1) (resid 30 and name  HA) 4.00 0.60 0.00 !!
assign (resid 99 and name  HD1) (resid 30 and name  HN) 3.40 1.60 0.00 !!
assign (resid 99 and name  HD1) (resid 30 and name  HA) 3.00 0.60 0.00 !
assign (resid 99 and name  HD1) (resid 30 and name  HD1#) 5.80 2.40 0.00 !
assign (resid 99 and name  HD1) (resid 31 and name  HN) 4.00 0.60 0.00 !
assign (resid 99 and name  HE1) (resid 31 and name  HN) 4.80 2.00 0.00 !!
assign (resid 99 and name  HZ2) (resid 21 and name  HD2#) 4.60 2.40 0.00 !!
assign (resid 99 and name  HE3) (resid 14 and name  HA) 4.60 1.60 0.00 !!
assign (resid 99 and name  HZ3) (resid 14 and name  HA) 3.00 0.60 0.00 !!
assign (resid 99 and name  HZ3) (resid 14 and name  HG1#) 5.00 2.60 0.00 !!
assign (resid 99 and name  HE3) (resid 14 and name  HG1#) 5.80 2.80 0.00 !!
assign (resid 36 and name  HD#) (resid 77 and name  HB) 6.80 4.80 0.00 !!
assign (resid 36 and name  HE#) (resid 77 and name  HB) 5.80 3.80 0.00 !!
assign (resid 36 and name  HD#) (resid 74 and name  HA) 6.40 4.40 0.00 !!
assign (resid 36 and name  HE#) (resid 74 and name  HA) 6.80 4.80 0.00 !!
assign (resid 36 and name  HE#) (resid 19 and name  HA) 6.80 4.80 0.00 !!
assign (resid 36 and name  HE#) (resid 19 and name  HG1#) 7.80 4.80 0.00 !!
assign (resid 36 and name  HE#) (resid 19 and name  HG2#) 7.80 4.80 0.00 !!
assign (resid 36 and name  HE#) (resid 74 and name  HB#) 6.80 3.80 0.00 !!
assign (resid 36 and name  HE#) (resid 78 and name  HB#) 6.80 3.80 0.00 !!
assign (resid 81 and name  HD2) (resid 61 and name  HG2#) 5.60 3.60 0.00 !!
assign (resid 81 and name  HE2) (resid 61 and name  HG2#) 5.80 3.80 0.00 !!
assign (resid 81 and name  HZ) (resid 59 and name  HG2#) 5.80 3.80 0.00 !!
assign (resid 81 and name  HE2) (resid 59 and name  HG2#) 4.80 3.80 0.00 !!
assign (resid 81 and name  HE2) (resid 59 and name  HG2#) 4.80 3.80 0.00 !!
assign (resid 81 and name  HZ) (resid 59 and name  HG2#) 4.20 2.20 0.00 !!
assign (resid 55 and name  HB2) (resid 59 and name  HG2#) 5.80 2.80 0.00 !!
assign (resid 58 and name  HE3) (resid 59 and name  HG2#) 5.80 2.80 0.00 !!
assign (resid 90 and name  HD1#) (resid 59 and name  HG2#) 5.80 2.80 0.00 !!
assign (resid 90 and name  HD2#) (resid 59 and name  HG2#) 7.00 2.80 0.00 !!
assign (resid 32 and name  HD2) (resid 58 and name  HB1) 4.80 2.40 0.00 !!
assign (resid 32 and name  HD2) (resid 58 and name  HB2) 4.80 2.40 0.00 !!
assign (resid 58 and name  HE3) (resid 55 and name  HB1) 4.00 2.00 0.00 !!
assign (resid 58 and name  HE3) (resid 55 and name  HB2) 4.00 2.00 0.00 !!
assign (resid 58 and name  HD1) (resid 90 and name  HD1#) 6.80 4.80 0.00 !!
assign (resid 58 and name  HD1) (resid 90 and name  HD2#) 6.80 4.80 0.00 !!
assign (resid 58 and name  HZ2) (resid 90 and name  HD1#) 6.40 4.80 0.00 !!
assign (resid 58 and name  HZ2) (resid 90 and name  HD2#) 6.40 4.80 0.00 !!
assign (resid 58 and name  HH2) (resid 91 and name  HD#) 6.80 4.00 0.00 !!
assign (resid 58 and name  HH2) (resid 91 and name  HG2#) 6.80 4.00 0.00 !!
assign (resid 58 and name  HZ2) (resid 30 and name  HD2#) 4.00 2.00 0.00 !!
assign (resid 38 and name  HA) (resid 73 and name  HG1#) 6.80 2.40 0.00 !!
assign (resid 99 and name  HZ2) (resid 17 and name  HB#) 5.80 3.40 0.00 !!
assign (resid 75 and name  HA2) (resid 78 and name  HB#) 5.00 2.00 0.00 !
assign (resid 75 and name  HA2) (resid 19 and name  HG1#) 6.80 2.40 0.00 !
assign (resid 75 and name  HA2) (resid 19 and name  HG2#) 5.40 2.40 0.00 !
assign (resid 74 and name  HB#) (resid 19 and name  HG2#) 5.40 2.40 0.00 !
assign (resid 79 and name  HA) (resid 15 and name  HB#) 5.00 2.00 0.00 !
assign (resid 32 and name  HD2) (resid 30 and name  HB1) 3.20 1.60 0.00 !
assign (resid 32 and name  HD2) (resid 30 and name  HB2) 3.20 1.60 0.00 !
assign (resid 95 and name  HG#) (resid 30 and name  HD1#) 7.40 4.80 0.00 !
assign (resid 95 and name  HG#) (resid 30 and name  HD2#) 7.40 4.80 0.00 !
assign (resid 86 and name  HD#) (resid 92 and name  HA) 6.80 2.40 0.00 !
assign (resid 86 and name  HZ) (resid 96 and name  HB#) 6.40 2.40 0.00 !
assign (resid 92 and name  HN) (resid 95 and name  HB1) 3.40 0.80 0.00 !
assign (resid 92 and name  HN) (resid 95 and name  HB2) 3.40 0.80 0.00 !
assign (resid 92 and name  HN) (resid 96 and name  HB#) 6.80 2.80 0.00 !
assign (resid 96 and name  HN) (resid 93 and name  HN) 5.00 0.40 0.00 !
assign (resid 22 and name  HH2) (resid 38 and name  HB) 4.00 2.00 0.00 !
assign (resid 22 and name  HH2) (resid 38 and name  HG2#) 5.80 3.80 0.00 !
assign (resid 22 and name  HZ2) (resid 38 and name  HB) 4.40 2.00 0.00 !
assign (resid 22 and name  HD1) (resid 26 and name  HN) 3.20 0.60 0.00 !
assign (resid 22 and name  HZ2) (resid 38 and name  HN) 3.00 0.60 0.00 !
assign (resid 22 and name  HE3) (resid 19 and name  HA) 3.60 0.60 0.00 !
assign (resid 22 and name  HE3) (resid 19 and name  HG1#) 6.00 2.40 0.00 !
assign (resid 22 and name  HZ3) (resid 74 and name  HB#) 5.80 2.40 0.00 !
assign (resid 22 and name  HE3) (resid 74 and name  HB#) 5.80 2.40 0.00 !
assign (resid 36 and name  HD#) (resid 18 and name  HD#) 5.80 3.80 0.00 !
assign (resid 70 and name  HA) (resid 73 and name  HG1#) 5.80 1.80 0.00 !
assign (resid 49 and name  HE1) (resid 40 and name  HG1) 4.40 0.00 0.00 !
assign (resid 49 and name  HE1) (resid 40 and name  HB1) 4.40 2.00 0.00 !
assign (resid 49 and name  HE1) (resid 70 and name  HB1) 4.40 2.40 0.00 !
assign (resid 49 and name  HE1) (resid 70 and name  HG2) 4.40 2.40 0.00 !
assign (resid 41 and name  HE2) (resid 50 and name  HB1) 3.00 1.00 0.00 !
assign (resid 41 and name  HE2) (resid 50 and name  HB2) 3.00 1.00 0.00 !
assign (resid 61 and name  HD1#) (resid 59 and name  HG2#) 7.40 3.00 0.00 !
assign (resid 61 and name  HD1#) (resid 90 and name  HD1#) 6.80 3.80 0.00 !
assign (resid 48 and name  HE1) (resid 46 and name  HB1) 2.80 0.80 0.00 !
assign (resid 48 and name  HE1) (resid 46 and name  HB2) 3.40 1.00 0.00 !
assign (resid 48 and name  HD1) (resid 46 and name  HB1) 4.40 1.40 0.00 !
assign (resid 48 and name  HD1) (resid 46 and name  HB2) 4.40 1.40 0.00 !
assign (resid 48 and name  HD1) (resid 47 and name  HA) 4.40 0.60 0.00 !
assign (resid 48 and name  HD2) (resid 67 and name  HA) 4.40 1.40 0.00 !
assign (resid 48 and name  HD2) (resid 68 and name  HN) 4.80 1.40 0.00 !
assign (resid 49 and name  HD2) (resid 47 and name  HG1#) 4.80 2.40 0.00 !
assign (resid 49 and name  HE2) (resid 47 and name  HG1#) 4.80 2.40 0.00 !
assign (resid 54 and name  HD1) (resid 56 and name  HD1) 3.40 1.40 0.00 !
assign (resid 54 and name  HD1) (resid 56 and name  HD2) 3.40 1.40 0.00 !
assign (resid 54 and name  HD1) (resid 56 and name  HD1) 3.40 1.40 0.00 !
assign (resid 54 and name  HD1) (resid 56 and name  HD2) 3.40 1.40 0.00 !
assign (resid 54 and name  HZ2) (resid 35 and name  HB1) 4.80 2.40 0.00 !
assign (resid 54 and name  HZ2) (resid 35 and name  HB2) 4.80 2.40 0.00 !
assign (resid 99 and name  HZ3) (resid 17 and name  HG1) 4.80 1.00 0.00 !
assign (resid 99 and name  HE3) (resid 17 and name  HG2) 4.80 1.00 0.00 !
assign (resid 99 and name  HZ3) (resid 17 and name  HB1) 3.00 1.00 0.00 !
assign (resid 99 and name  HZ3) (resid 17 and name  HB2) 4.40 2.00 0.00 !
assign (resid 99 and name  HE3) (resid 17 and name  HB1) 3.40 1.40 0.00 !
assign (resid 99 and name  HH2) (resid 18 and name  HA) 3.60 1.60 0.00 !
assign (resid 99 and name  HH2) (resid 18 and name  HG12) 3.60 1.40 0.00 !
assign (resid 99 and name  HH2) (resid 18 and name  HN) 3.60 0.60 0.00 !
assign (resid 99 and name  HH2) (resid 18 and name  HN) 3.60 0.60 0.00 !
assign (resid 99 and name  HZ3) (resid 18 and name  HN) 4.40 0.80 0.00 !
assign (resid 99 and name  HE3) (resid 96 and name  HA) 4.00 0.20 0.00 !
assign (resid 13 and name  HB#) (resid 100 and name  HD1#) 5.40 2.60 0.00 !
assign (resid 13 and name  HB#) (resid 100 and name  HD2#) 5.40 2.60 0.00 !
assign (resid 34 and name  O) (resid 27 and name  HN) 2.20 0.30 0.20 !!
assign (resid 27 and name  O) (resid 34 and name  HN) 2.20 0.30 0.20 !!
assign (resid 63 and name  O) (resid 53 and name  HN) 2.20 0.30 0.20 !!
assign (resid 51 and name  O) (resid 65 and name  HN) 2.20 0.30 0.20 !!
assign (resid 65 and name  O) (resid 51 and name  HN) 2.20 0.30 0.20 !!
assign (resid 41 and name  O) (resid 48 and name  HN) 2.20 0.30 0.20 !!
assign (resid 48 and name  O) (resid 41 and name  HN) 2.20 0.30 0.20 !!
assign (resid 50 and name  O) (resid 39 and name  HN) 2.20 0.30 0.20 !!
assign (resid 52 and name  O) (resid 37 and name  HN) 2.20 0.30 0.20 !!
assign (resid 37 and name  O) (resid 52 and name  HN) 2.20 0.30 0.20 !!
assign (resid 54 and name  O) (resid 35 and name  HN) 2.20 0.30 0.20 !!
assign (resid 35 and name  O) (resid 54 and name  HN) 2.20 0.30 0.20 !!

#
# INSTRUCTIONS
# 1) Replace the @ - signs with appropriate values.
# 2) Text comments concerning the assignments can be
#    supplied in the full deposition
# 3) Feel free to add or delete rows to the table as needed
#    The row numbers ( *.ID values )
#    will be re-assigned to sequential values by BMRB.
#
#
# author residue sequence: EAYVQGWEAVAAAVASKIVGLWRNEKTELLGHECKFTVKPYLKRFQVYYKGRMWCPGWTAIRGEASTRSQSGVAGKTAKDFVRKAFQKGLISQQEANQWLSS
# residue sequence for the table: EAYVQGWEAVAAAVASKIVGLWRNEKTELLGHECKFTVKPYLKRFQVYYKGRMWCPGWTAIRGEASTRSQSGVAGKTAKDFVRKAFQKGLISQQEANQWLSS
#
###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (geminal atoms and geminal methyl     #
#                         groups with identical chemical shifts   #
#                         are assumed to be assigned to           #
#                         stereospecific atoms)                   #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. Asp HB2 and HB3     #
#                         protons, Leu CD1 and CD2 carbons, or    #
#                         Leu HD1 and HD2 methyl protons)         #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. Tyr HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. Lys HG and    #
#                         HD protons or Trp HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (Lys 12 vs. Lys 27) #
#      6             Intermolecular ambiguities (e.g. Asp 31 CA   #
#                         in monomer 1 and Asp 31 CA in monomer 2 #
#                         of a asymmetrical homodimer, duplex DNA #
#                         assignments, or other assignments that  #
#                         may apply to atoms in one or more       #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
loop_
    _Atom_chem_shift.ID
    _Atom_chem_shift.Entity_assembly_ID
    _Atom_chem_shift.Comp_index_ID
    _Atom_chem_shift.Comp_ID
    _Atom_chem_shift.Atom_ID
    _Atom_chem_shift.Atom_type
    _Atom_chem_shift.Atom_isotope_number
    _Atom_chem_shift.Val
    _Atom_chem_shift.Val_err
    _Atom_chem_shift.Assign_fig_of_merit
    _Atom_chem_shift.Ambiguity_code
    _Atom_chem_shift.Occupancy
    _Atom_chem_shift.Details

#
#  Entity  Comp                    Atom            Assign. Atom
# Assembly index Comp  Atom  Atom  isot.       Val fig. of Ambig.
#ID  ID     ID    ID    ID   type  num   Val   err merit   code  Occup. Details
#------------------------------------------------------------------------------
#

1     .     1     GLU   H     H     1     @     @     .     1     .     .     
2     .     1     GLU   HA    H     1     @     @     .     1     .     .     
3     .     1     GLU   HB2   H     1     @     @     .     2     .     .     
4     .     1     GLU   HB3   H     1     @     @     .     2     .     .     
5     .     1     GLU   HG2   H     1     @     @     .     2     .     .     
6     .     1     GLU   HG3   H     1     @     @     .     2     .     .     
7     .     1     GLU   HE2   H     1     @     @     .     1     .     .     
8     .     1     GLU   N     N     15    @     @     .     1     .     .     
9     .     2     ALA   H     H     1     7.643 0.001 .     1     .     .     
10    .     2     ALA   HA    H     1     4.231 0.001 .     1     .     .     
11    .     2     ALA   MB    H     1     1.180 0.001 .     1     .     .     
12    .     2     ALA   N     N     15    @     @     .     1     .     .     
13    .     3     TYR   H     H     1     7.888 0.001 .     1     .     .     
14    .     3     TYR   HA    H     1     @     @     .     1     .     .     
15    .     3     TYR   HB2   H     1     3.185 0.001 .     2     .     .     
16    .     3     TYR   HB3   H     1     @     @     .     2     .     .     
17    .     3     TYR   HD1   H     1     7.088 0.001 .     3     .     .     
18    .     3     TYR   HD2   H     1     @     @     .     3     .     .     
19    .     3     TYR   HE1   H     1     6.865 0.001 .     3     .     .     
20    .     3     TYR   HE2   H     1     @     @     .     3     .     .     
21    .     3     TYR   HH    H     1     @     @     .     1     .     .     
22    .     3     TYR   N     N     15    @     @     .     1     .     .     
23    .     4     VAL   H     H     1     @     @     .     1     .     .     
24    .     4     VAL   HA    H     1     @     @     .     1     .     .     
25    .     4     VAL   HB    H     1     @     @     .     1     .     .     
26    .     4     VAL   MG1   H     1     @     @     .     2     .     .     
27    .     4     VAL   MG2   H     1     @     @     .     2     .     .     
28    .     4     VAL   N     N     15    @     @     .     1     .     .     
29    .     5     GLN   H     H     1     @     @     .     1     .     .     
30    .     5     GLN   HA    H     1     @     @     .     1     .     .     
31    .     5     GLN   HB2   H     1     @     @     .     2     .     .     
32    .     5     GLN   HB3   H     1     @     @     .     2     .     .     
33    .     5     GLN   HG2   H     1     @     @     .     2     .     .     
34    .     5     GLN   HG3   H     1     @     @     .     2     .     .     
35    .     5     GLN   HE21  H     1     @     @     .     2     .     .     
36    .     5     GLN   HE22  H     1     @     @     .     2     .     .     
37    .     5     GLN   N     N     15    @     @     .     1     .     .     
38    .     5     GLN   NE2   N     15    @     @     .     1     .     .     
39    .     6     GLY   H     H     1     8.608 0.001 .     1     .     .     
40    .     6     GLY   HA2   H     1     4.132 0.001 .     2     .     .     
41    .     6     GLY   HA3   H     1     3.962 0.001 .     2     .     .     
42    .     6     GLY   N     N     15    @           .     1     .     .     
43    .     7     TRP   H     H     1     7.780 0.001 .     1     .     .     
44    .     7     TRP   HA    H     1     4.348 0.001 .     1     .     .     
45    .     7     TRP   HB2   H     1     2.997 0.001 .     2     .     .     
46    .     7     TRP   HB3   H     1     @           .     2     .     .     
47    .     7     TRP   HD1   H     1     7.226 0.001 .     1     .     .     
48    .     7     TRP   HE1   H     1    10.058 0.001 .     1     .     .     
49    .     7     TRP   HE3   H     1     7.037 0.001 .     1     .     .     
50    .     7     TRP   HZ2   H     1     7.427 0.001 .     1     .     .     
51    .     7     TRP   HZ3   H     1     6.845 0.001 .     1     .     .     
52    .     7     TRP   HH2   H     1     7.130 0.001 .     1     .     .     
53    .     7     TRP   N     N     15   118.57  0.01 .     1     .     .     
54    .     7     TRP   NE1   N     15   129.67  0.01 .     1     .     .     
55    .     8     GLU   H     H     1     8.097 0.001 .     1     .     .     
56    .     8     GLU   HA    H     1     3.651 0.001 .     1     .     .     
57    .     8     GLU   HB2   H     1     1.816 0.001 .     2     .     .     
58    .     8     GLU   HB3   H     1     1.789 0.001 .     2     .     .     
59    .     8     GLU   HG2   H     1     @     @     .     2     .     .     
60    .     8     GLU   HG3   H     1     @     @     .     2     .     .     
61    .     8     GLU   HE2   H     1     @     @     .     1     .     .     
62    .     8     GLU   N     N     15   121.23  0.01 .     1     .     .     
63    .     9     ALA   H     H     1     7.952 0.001 .     1     .     .     
64    .     9     ALA   HA    H     1     4.194 0.001 .     1     .     .     
65    .     9     ALA   MB    H     1     1.490 0.001 .     1     .     .     
66    .     9     ALA   N     N     15   121.97  0.01 .     1     .     .     
67    .     10    VAL   H     H     1     7.768 0.001 .     1     .     .     
68    .     10    VAL   HA    H     1     3.993 0.001 .     1     .     .     
69    .     10    VAL   HB    H     1     2.240 0.001 .     1     .     .     
70    .     10    VAL   MG1   H     1     1.150 0.001 .     2     .     .     
71    .     10    VAL   MG2   H     1     1.125 0.001 .     2     .     .     
72    .     10    VAL   N     N     15   119.65  0.01 .     1     .     .     
73    .     11    ALA   H     H     1     8.575 0.001 .     1     .     .     
74    .     11    ALA   HA    H     1     4.002 0.001 .     1     .     .     
75    .     11    ALA   MB    H     1     1.447 0.001 .     1     .     .     
76    .     11    ALA   N     N     15   122.60 0.001 .     1     .     .     
77    .     12    ALA   H     H     1     8.023 0.001 .     1     .     .     
78    .     12    ALA   HA    H     1     4.102 0.001 .     1     .     .     
79    .     12    ALA   MB    H     1     1.593 0.001 .     1     .     .     
80    .     12    ALA   N     N     15   119.30  0.01 .     1     .     .     
81    .     13    ALA   H     H     1     7.770 0.001 .     1     .     .     
82    .     13    ALA   HA    H     1     4.345 0.001 .     1     .     .     
83    .     13    ALA   MB    H     1     1.713 0.001 .     1     .     .     
84    .     13    ALA   N     N     15   123.09 0.001 .     1     .     .     
85    .     14    VAL   H     H     1     9.003  0.01 .     1     .     .     
86    .     14    VAL   HA    H     1     4.047 0.001 .     1     .     .     
87    .     14    VAL   HB    H     1     2.548 0.001 .     1     .     .     
88    .     14    VAL   MG1   H     1     1.194 0.001 .     2     .     .     
89    .     14    VAL   MG2   H     1     1.464 0.001 .     2     .     .     
90    .     14    VAL   N     N     15   121.16  0.01 .     1     .     .     
91    .     15    ALA   H     H     1     8.634 0.001 .     1     .     .     
92    .     15    ALA   HA    H     1     4.088 0.001 .     1     .     .     
93    .     15    ALA   MB    H     1     1.574 0.001 .     1     .     .     
94    .     15    ALA   N     N     15   120.97  0.01 .     1     .     .     
95    .     16    SER   H     H     1     8.050 0.001 .     1     .     .     
96    .     16    SER   HA    H     1     4.262 0.001 .     1     .     .     
97    .     16    SER   HB2   H     1     4.094 0.001 .     2     .     .     
98    .     16    SER   HB3   H     1     4.063 0.001 .     2     .     .     
99    .     16    SER   HG    H     1     @     @     .     1     .     .     
100   .     16    SER   N     N     15   112.07  0.01 .     1     .     .     
101   .     17    LYS   H     H     1     7.824 0.001 .     1     .     .     
102   .     17    LYS   HA    H     1     4.222 0.001 .     1     .     .     
103   .     17    LYS   HB2   H     1     2.179 0.001 .     2     .     .     
104   .     17    LYS   HB3   H     1     1.698 0.001 .     2     .     .     
105   .     17    LYS   HG2   H     1     0.026 0.001 .     2     .     .     
106   .     17    LYS   HG3   H     1     1.200 0.001 .     2     .     .     
107   .     17    LYS   HD2   H     1     1.346 0.001 .     2     .     .     
108   .     17    LYS   HD3   H     1     2.318 0.001 .     2     .     .     
109   .     17    LYS   HE2   H     1     1.900 0.001 .     2     .     .     
110   .     17    LYS   HE3   H     1     0.978 0.001 .     2     .     .     
111   .     17    LYS   QZ    H     1     @     @     .     1     .     .     
112   .     17    LYS   N     N     15   124.51  0.01 .     1     .     .     
113   .     17    LYS   NZ    N     15    @     @     .     1     .     .     
114   .     18    ILE   H     H     1     8.439 0.001 .     1     .     .     
115   .     18    ILE   HA    H     1     3.880 0.001 .     1     .     .     
116   .     18    ILE   HB    H     1     @     @     .     1     .     .     
117   .     18    ILE   HG12  H     1     @     @     .     2     .     .     
118   .     18    ILE   HG13  H     1     @     @     .     2     .     .     
119   .     18    ILE   MG    H     1     0.850 0.001 .     1     .     .     
120   .     18    ILE   MD    H     1     1.195 0.001 .     1     .     .     
121   .     18    ILE   N     N     15   119.08  0.01 .     1     .     .     
122   .     19    VAL   H     H     1     7.902 0.001 .     1     .     .     
123   .     19    VAL   HA    H     1     3.517 0.001 .     1     .     .     
124   .     19    VAL   HB    H     1     2.192 0.001 .     1     .     .     
125   .     19    VAL   MG1   H     1     1.087 0.001 .     2     .     .     
126   .     19    VAL   MG2   H     1     0.942 0.001 .     2     .     .     
127   .     19    VAL   N     N     15   119.15  0.01 .     1     .     .     
128   .     20    GLY   H     H     1     8.171 0.001 .     1     .     .     
129   .     20    GLY   HA2   H     1     4.064 0.001 .     2     .     .     
130   .     20    GLY   HA3   H     1     4.177 0.001 .     2     .     .     
131   .     20    GLY   N     N     15   109.01  0.01 .     1     .     .     
132   .     21    LEU   H     H     1     7.563 0.001 .     1     .     .     
133   .     21    LEU   HA    H     1     4.428 0.001 .     1     .     .     
134   .     21    LEU   HB2   H     1     2.064 0.001 .     2     .     .     
135   .     21    LEU   HB3   H     1     1.813 0.001 .     2     .     .     
136   .     21    LEU   HG    H     1     1.921 0.001 .     1     .     .     
137   .     21    LEU   MD1   H     1     1.109 0.001 .     2     .     .     
138   .     21    LEU   MD2   H     1     0.927 0.001 .     2     .     .     
139   .     21    LEU   N     N     15   120.46  0.01 .     1     .     .     
140   .     22    TRP   H     H     1     7.351 0.001 .     1     .     .     
141   .     22    TRP   HA    H     1     5.398 0.001 .     1     .     .     
142   .     22    TRP   HB2   H     1     3.730 0.001 .     2     .     .     
143   .     22    TRP   HB3   H     1     2.688 0.001 .     2     .     .     
144   .     22    TRP   HD1   H     1     7.051 0.001 .     1     .     .     
145   .     22    TRP   HE1   H     1     9.672 0.001 .     1     .     .     
146   .     22    TRP   HE3   H     1     7.490 0.001 .     1     .     .     
147   .     22    TRP   HZ2   H     1     7.440 0.001 .     1     .     .     
148   .     22    TRP   HZ3   H     1     7.072 0.001 .     1     .     .     
149   .     22    TRP   HH2   H     1     7.175 0.001 .     1     .     .     
150   .     22    TRP   N     N     15   122.25  0.01 .     1     .     .     
151   .     22    TRP   NE1   N     15   127.52  0.01 .     1     .     .     
152   .     23    ARG   H     H     1     9.002 0.001 .     1     .     .     
153   .     23    ARG   HA    H     1     4.171 0.001 .     1     .     .     
154   .     23    ARG   HB2   H     1     1.790 0.001 .     2     .     .     
155   .     23    ARG   HB3   H     1     @     @     .     2     .     .     
156   .     23    ARG   HG2   H     1     1.593 0.001 .     2     .     .     
157   .     23    ARG   HG3   H     1     @     @     .     2     .     .     
158   .     23    ARG   HD2   H     1     3.256 0.001 .     2     .     .     
159   .     23    ARG   HD3   H     1     3.171 0.001 .     2     .     .     
160   .     23    ARG   HE    H     1     @     @     .     1     .     .     
161   .     23    ARG   HH11  H     1     @     @     .     2     .     .     
162   .     23    ARG   HH12  H     1     @     @     .     2     .     .     
163   .     23    ARG   HH21  H     1     @     @     .     2     .     .     
164   .     23    ARG   HH22  H     1     @     @     .     2     .     .     
165   .     23    ARG   N     N     15   129.78  0.01 .     1     .     .     
166   .     23    ARG   NE    N     15    @     @     .     1     .     .     
167   .     23    ARG   NH1   N     15    @     @     .     2     .     .     
168   .     23    ARG   NH2   N     15    @     @     .     2     .     .     
169   .     24    ASN   H     H     1     9.116 0.001 .     1     .     .     
170   .     24    ASN   HA    H     1     4.362 0.001 .     1     .     .     
171   .     24    ASN   HB2   H     1     2.841 0.001 .     2     .     .     
172   .     24    ASN   HB3   H     1     3.038 0.001 .     2     .     .     
173   .     24    ASN   HD21  H     1     7.671 0.001 .     2     .     .     
174   .     24    ASN   HD22  H     1     6.911 0.001 .     2     .     .     
175   .     24    ASN   N     N     15    @     @     .     1     .     .     
176   .     24    ASN   ND2   N     15   113.32  0.01 .     1     .     .     
177   .     25    GLU   H     H     1     8.673 0.001 .     1     .     .     
178   .     25    GLU   HA    H     1     4.760 0.001 .     1     .     .     
179   .     25    GLU   HB2   H     1     2.461 0.001 .     2     .     .     
180   .     25    GLU   HB3   H     1     2.337 0.001 .     2     .     .     
181   .     25    GLU   HG2   H     1     2.339 0.001 .     2     .     .     
182   .     25    GLU   HG3   H     1     @     @     .     2     .     .     
183   .     25    GLU   HE2   H     1     @     @     .     1     .     .     
184   .     25    GLU   N     N     15   109.99  0.01 .     1     .     .     
185   .     26    LYS   H     H     1     8.257 0.001 .     1     .     .     
186   .     26    LYS   HA    H     1     5.485 0.001 .     1     .     .     
187   .     26    LYS   HB2   H     1     1.963 0.001 .     2     .     .     
188   .     26    LYS   HB3   H     1     2.014 0.001 .     2     .     .     
189   .     26    LYS   HG2   H     1     1.560 0.001 .     2     .     .     
190   .     26    LYS   HG3   H     1     1.624 0.001 .     2     .     .     
191   .     26    LYS   HD2   H     1     1.691 0.001 .     2     .     .     
192   .     26    LYS   HD3   H     1     @     @     .     2     .     .     
193   .     26    LYS   HE2   H     1     @     @     .     2     .     .     
194   .     26    LYS   HE3   H     1     @     @     .     2     .     .     
195   .     26    LYS   QZ    H     1     @     @     .     1     .     .     
196   .     26    LYS   N     N     15   119.09  0.01 .     1     .     .     
197   .     26    LYS   NZ    N     15    @     @     .     1     .     .     
198   .     27    THR   H     H     1     8.791 0.001 .     1     .     .     
199   .     27    THR   HA    H     1     4.835 0.001 .     1     .     .     
200   .     27    THR   HB    H     1     4.081 0.001 .     1     .     .     
201   .     27    THR   HG1   H     1     @     @     .     1     .     .     
202   .     27    THR   MG    H     1     0.898 0.001 .     1     .     .     
203   .     27    THR   N     N     15   115.27  0.01 .     1     .     .     
204   .     28    GLU   H     H     1     8.430 0.001 .     1     .     .     
205   .     28    GLU   HA    H     1     5.271 0.001 .     1     .     .     
206   .     28    GLU   HB2   H     1     1.955 0.001 .     2     .     .     
207   .     28    GLU   HB3   H     1     2.090 0.001 .     2     .     .     
208   .     28    GLU   HG2   H     1     2.248 0.001 .     2     .     .     
209   .     28    GLU   HG3   H     1     2.248 0.001 .     2     .     .     
210   .     28    GLU   HE2   H     1     @     @     .     1     .     .     
211   .     28    GLU   N     N     15   125.52  0.01 .     1     .     .     
212   .     29    LEU   H     H     1     7.785 0.001 .     1     .     .     
213   .     29    LEU   HA    H     1     3.984 0.001 .     1     .     .     
214   .     29    LEU   HB2   H     1     1.600 0.001 .     2     .     .     
215   .     29    LEU   HB3   H     1     1.600 0.001 .     2     .     .     
216   .     29    LEU   HG    H     1     1.150 0.001 .     1     .     .     
217   .     29    LEU   MD1   H     1     0.973 0.001 .     2     .     .     
218   .     29    LEU   MD2   H     1     0.856 0.001 .     2     .     .     
219   .     29    LEU   N     N     15   118.35  0.01 .     1     .     .     
220   .     30    LEU   H     H     1     5.227 0.001 .     1     .     .     
221   .     30    LEU   HA    H     1     3.173 0.001 .     1     .     .     
222   .     30    LEU   HB2   H     1     1.830 0.001 .     2     .     .     
223   .     30    LEU   HB3   H     1     @     @     .     2     .     .     
224   .     30    LEU   HG    H     1     1.210 0.001 .     1     .     .     
225   .     30    LEU   MD1   H     1     0.763 0.001 .     2     .     .     
226   .     30    LEU   MD2   H     1     0.987 0.001 .     2     .     .     
227   .     30    LEU   N     N     15    @     @     .     1     .     .     
228   .     31    GLY   H     H     1     8.762 0.001 .     1     .     .     
229   .     31    GLY   HA2   H     1     3.484 0.001 .     2     .     .     
230   .     31    GLY   HA3   H     1     3.799 0.001 .     2     .     .     
231   .     31    GLY   N     N     15   104.31  0.01 .     1     .     .     
232   .     32    HIS   H     H     1     7.500 0.001 .     1     .     .     
233   .     32    HIS   HA    H     1     4.340 0.001 .     1     .     .     
234   .     32    HIS   HB2   H     1     2.794 0.001 .     2     .     .     
235   .     32    HIS   HB3   H     1     2.697 0.001 .     2     .     .     
236   .     32    HIS   HD1   H     1     @     @     .     1     .     .     
237   .     32    HIS   HD2   H     1     5.770 0.001 .     1     .     .     
238   .     32    HIS   HE1   H     1     7.910 0.001 .     1     .     .     
239   .     32    HIS   HE2   H     1     @     @     .     1     .     .     
240   .     32    HIS   N     N     15   119.19  0.01 .     1     .     .     
241   .     32    HIS   ND1   N     15    @     @     .     1     .     .     
242   .     32    HIS   NE2   N     15    @     @     .     1     .     .     
243   .     33    GLU   H     H     1     8.750 0.001 .     1     .     .     
244   .     33    GLU   HA    H     1     4.479 0.001 .     1     .     .     
245   .     33    GLU   HB2   H     1     2.078 0.001 .     2     .     .     
246   .     33    GLU   HB3   H     1     @     @     .     2     .     .     
247   .     33    GLU   HG2   H     1     2.356 0.001 .     2     .     .     
248   .     33    GLU   HG3   H     1     @     @     .     2     .     .     
249   .     33    GLU   HE2   H     1     @     @     .     1     .     .     
250   .     33    GLU   N     N     15   123.03  0.01 .     1     .     .     
251   .     34    CYS   H     H     1     8.530 0.001 .     1     .     .     
252   .     34    CYS   HA    H     1     5.144 0.001 .     1     .     .     
253   .     34    CYS   HB2   H     1     2.630 0.001 .     2     .     .     
254   .     34    CYS   HB3   H     1     @     @     .     2     .     .     
255   .     34    CYS   HG    H     1     @     @     .     1     .     .     
256   .     34    CYS   N     N     15   126.34  0.01 .     1     .     .     
257   .     35    LYS   H     H     1     8.804 0.001 .     1     .     .     
258   .     35    LYS   HA    H     1     4.540 0.001 .     1     .     .     
259   .     35    LYS   HB2   H     1    -0.379 0.001 .     2     .     .     
260   .     35    LYS   HB3   H     1     0.643 0.001 .     2     .     .     
261   .     35    LYS   HG2   H     1     1.056 0.001 .     2     .     .     
262   .     35    LYS   HG3   H     1     @     @     .     2     .     .     
263   .     35    LYS   HD2   H     1     1.577 0.001 .     2     .     .     
264   .     35    LYS   HD3   H     1     @     @     .     2     .     .     
265   .     35    LYS   HE2   H     1     @     @     .     2     .     .     
266   .     35    LYS   HE3   H     1     @     @     .     2     .     .     
267   .     35    LYS   QZ    H     1     @     @     .     1     .     .     
268   .     35    LYS   N     N     15   123.36  0.01 .     1     .     .     
269   .     35    LYS   NZ    N     15    @     @     .     1     .     .     
270   .     36    PHE   H     H     1     7.735 0.001 .     1     .     .     
271   .     36    PHE   HA    H     1     5.535 0.001 .     1     .     .     
272   .     36    PHE   HB2   H     1     2.802 0.001 .     2     .     .     
273   .     36    PHE   HB3   H     1     2.243 0.001 .     2     .     .     
274   .     36    PHE   HD1   H     1     6.285 0.001 .     3     .     .     
275   .     36    PHE   HD2   H     1     6.285 0.001 .     3     .     .     
276   .     36    PHE   HE1   H     1     7.257 0.001 .     3     .     .     
277   .     36    PHE   HE2   H     1     7.257 0.001 .     3     .     .     
278   .     36    PHE   HZ    H     1     7.389 0.001 .     1     .     .     
279   .     36    PHE   N     N     15   124.21  0.01 .     1     .     .     
280   .     37    THR   H     H     1     9.268 0.001 .     1     .     .     
281   .     37    THR   HA    H     1     5.358 0.001 .     1     .     .     
282   .     37    THR   HB    H     1     4.438 0.001 .     1     .     .     
283   .     37    THR   HG1   H     1     @     @     .     1     .     .     
284   .     37    THR   MG    H     1     1.465 0.001 .     1     .     .     
285   .     37    THR   N     N     15   117.57  0.01 .     1     .     .     
286   .     38    VAL   H     H     1     8.880 0.001 .     1     .     .     
287   .     38    VAL   HA    H     1     5.137 0.001 .     1     .     .     
288   .     38    VAL   HB    H     1     2.314 0.001 .     1     .     .     
289   .     38    VAL   MG1   H     1     0.957 0.001 .     2     .     .     
290   .     38    VAL   MG2   H     1     1.087 0.001 .     2     .     .     
291   .     38    VAL   N     N     15   121.60  0.01 .     1     .     .     
292   .     39    LYS   H     H     1     8.916 0.001 .     1     .     .     
293   .     39    LYS   HA    H     1     5.372 0.001 .     1     .     .     
294   .     39    LYS   HB2   H     1     2.050 0.001 .     2     .     .     
295   .     39    LYS   HB3   H     1     1.879 0.001 .     2     .     .     
296   .     39    LYS   HG2   H     1     1.660 0.001 .     2     .     .     
297   .     39    LYS   HG3   H     1     1.660 0.001 .     2     .     .     
298   .     39    LYS   HD2   H     1     @     @     .     2     .     .     
299   .     39    LYS   HD3   H     1     @     @     .     2     .     .     
300   .     39    LYS   HE2   H     1     @     @     .     2     .     .     
301   .     39    LYS   HE3   H     1     @     @     .     2     .     .     
302   .     39    LYS   QZ    H     1     @     @     .     1     .     .     
303   .     39    LYS   N     N     15   126.84  0.01 .     1     .     .     
304   .     39    LYS   NZ    N     15    @     @     .     1     .     .     
307   .     40    PRO   HA    H     1     5.196 0.001 .     1     .     .     
308   .     40    PRO   HB2   H     1     1.940 0.001 .     2     .     .     
309   .     40    PRO   HB3   H     1     2.062 0.001 .     2     .     .     
310   .     40    PRO   HG2   H     1     2.208 0.001 .     2     .     .     
311   .     40    PRO   HG3   H     1     @     @     .     2     .     .     
312   .     40    PRO   HD2   H     1     4.074 0.001 .     2     .     .     
313   .     40    PRO   HD3   H     1     3.952 0.001 .     2     .     .     
314   .     40    PRO   N     N     15    @     @     .     1     .     .     
315   .     41    TYR   H     H     1     9.193 0.001 .     1     .     .     
316   .     41    TYR   HA    H     1     4.704 0.001 .     1     .     .     
317   .     41    TYR   HB2   H     1     3.010 0.001 .     2     .     .     
318   .     41    TYR   HB3   H     1     2.790 0.001 .     2     .     .     
319   .     41    TYR   HD1   H     1     6.920 0.001 .     3     .     .     
320   .     41    TYR   HD2   H     1     6.920 0.001 .     3     .     .     
321   .     41    TYR   HE1   H     1     6.472 0.001 .     3     .     .     
322   .     41    TYR   HE2   H     1     6.472 0.001 .     3     .     .     
323   .     41    TYR   HH    H     1     @     @     .     1     .     .     
324   .     41    TYR   N     N     15   119.64  0.01 .     1     .     .     
325   .     42    LEU   H     H     1     8.293 0.001 .     1     .     .     
326   .     42    LEU   HA    H     1     4.940 0.001 .     1     .     .     
327   .     42    LEU   HB2   H     1     1.584 0.001 .     2     .     .     
328   .     42    LEU   HB3   H     1     1.357 0.001 .     2     .     .     
329   .     42    LEU   HG    H     1     1.478 0.001 .     1     .     .     
330   .     42    LEU   MD1   H     1     0.722 0.001 .     2     .     .     
331   .     42    LEU   MD2   H     1     0.825 0.001 .     2     .     .     
332   .     42    LEU   N     N     15   120.76  0.01 .     1     .     .     
333   .     43    LYS   H     H     1     8.862 0.001 .     1     .     .     
334   .     43    LYS   HA    H     1     4.360 0.001 .     1     .     .     
335   .     43    LYS   HB2   H     1     1.343 0.001 .     2     .     .     
336   .     43    LYS   HB3   H     1     1.608 0.001 .     2     .     .     
337   .     43    LYS   HG2   H     1     1.231 0.001 .     2     .     .     
338   .     43    LYS   HG3   H     1     @     @     .     2     .     .     
339   .     43    LYS   HD2   H     1     @     @     .     2     .     .     
340   .     43    LYS   HD3   H     1     @     @     .     2     .     .     
341   .     43    LYS   HE2   H     1     @     @     .     2     .     .     
342   .     43    LYS   HE3   H     1     @     @     .     2     .     .     
343   .     43    LYS   QZ    H     1     @     @     .     1     .     .     
344   .     43    LYS   N     N     15   125.07  0.01 .     1     .     .     
345   .     43    LYS   NZ    N     15    @     @     .     1     .     .     
346   .     44    ARG   H     H     1     9.116 0.001 .     1     .     .     
347   .     44    ARG   HA    H     1     3.495 0.001 .     1     .     .     
348   .     44    ARG   HB2   H     1     1.890 0.001 .     2     .     .     
349   .     44    ARG   HB3   H     1     1.980 0.001 .     2     .     .     
350   .     44    ARG   HG2   H     1     1.533 0.001 .     2     .     .     
351   .     44    ARG   HG3   H     1     @     @     .     2     .     .     
352   .     44    ARG   HD2   H     1     3.197 0.001 .     2     .     .     
353   .     44    ARG   HD3   H     1     @     @     .     2     .     .     
354   .     44    ARG   HE    H     1     @     @     .     1     .     .     
355   .     44    ARG   HH11  H     1     @     @     .     2     .     .     
356   .     44    ARG   HH12  H     1     @     @     .     2     .     .     
357   .     44    ARG   HH21  H     1     @     @     .     2     .     .     
358   .     44    ARG   HH22  H     1     @     @     .     2     .     .     
359   .     44    ARG   N     N     15    @     @     .     1     .     .     
360   .     44    ARG   NE    N     15    @     @     .     1     .     .     
361   .     44    ARG   NH1   N     15    @     @     .     2     .     .     
362   .     44    ARG   NH2   N     15    @     @     .     2     .     .     
363   .     45    PHE   H     H     1     8.268 0.001 .     1     .     .     
364   .     45    PHE   HA    H     1     4.220 0.001 .     1     .     .     
365   .     45    PHE   HB2   H     1     3.313 0.001 .     2     .     .     
366   .     45    PHE   HB3   H     1     3.490 0.001 .     2     .     .     
367   .     45    PHE   HD1   H     1     7.228 0.001 .     3     .     .     
368   .     45    PHE   HD2   H     1     7.228 0.001 .     3     .     .     
369   .     45    PHE   HE1   H     1     7.380 0.001 .     3     .     .     
370   .     45    PHE   HE2   H     1     7.380 0.001 .     3     .     .     
371   .     45    PHE   HZ    H     1     7.340 0.001 .     1     .     .     
372   .     45    PHE   N     N     15    @     @     .     1     .     .     
373   .     46    GLN   H     H     1     7.960 0.001 .     1     .     .     
374   .     46    GLN   HA    H     1     4.687 0.001 .     1     .     .     
375   .     46    GLN   HB2   H     1     2.205 0.001 .     2     .     .     
376   .     46    GLN   HB3   H     1     2.080 0.001 .     2     .     .     
377   .     46    GLN   HG2   H     1     2.414 0.001 .     2     .     .     
378   .     46    GLN   HG3   H     1     @     @     .     2     .     .     
379   .     46    GLN   HE21  H     1     @     @     .     2     .     .     
380   .     46    GLN   HE22  H     1     @     @     .     2     .     .     
381   .     46    GLN   N     N     15   120.20  0.01 .     1     .     .     
382   .     46    GLN   NE2   N     15    @     @     .     1     .     .     
383   .     47    VAL   H     H     1     8.390 0.001 .     1     .     .     
384   .     47    VAL   HA    H     1     4.181 0.001 .     1     .     .     
385   .     47    VAL   HB    H     1     1.844 0.001 .     1     .     .     
386   .     47    VAL   MG1   H     1     0.603 0.001 .     2     .     .     
387   .     47    VAL   MG2   H     1     0.902 0.001 .     2     .     .     
388   .     47    VAL   N     N     15   124.23  0.01 .     1     .     .     
389   .     48    TYR   H     H     1     8.758 0.001 .     1     .     .     
390   .     48    TYR   HA    H     1     4.479 0.001 .     1     .     .     
391   .     48    TYR   HB2   H     1     2.467 0.001 .     2     .     .     
392   .     48    TYR   HB3   H     1     1.767 0.001 .     2     .     .     
393   .     48    TYR   HD1   H     1     6.826 0.001 .     3     .     .     
394   .     48    TYR   HD2   H     1     6.826 0.001 .     3     .     .     
395   .     48    TYR   HE1   H     1     6.742 0.001 .     3     .     .     
396   .     48    TYR   HE2   H     1     6.742 0.001 .     3     .     .     
397   .     48    TYR   HH    H     1     @     @     .     1     .     .     
398   .     48    TYR   N     N     15   128.70  0.01 .     1     .     .     
399   .     49    TYR   H     H     1     8.833 0.001 .     1     .     .     
400   .     49    TYR   HA    H     1     4.966 0.001 .     1     .     .     
401   .     49    TYR   HB2   H     1     2.674 0.001 .     2     .     .     
402   .     49    TYR   HB3   H     1     2.735 0.001 .     2     .     .     
403   .     49    TYR   HD1   H     1     6.771 0.001 .     3     .     .     
404   .     49    TYR   HD2   H     1     6.771 0.001 .     3     .     .     
405   .     49    TYR   HE1   H     1     6.771 0.001 .     3     .     .     
406   .     49    TYR   HE2   H     1     6.771 0.001 .     3     .     .     
407   .     49    TYR   HH    H     1     @     @     .     1     .     .     
408   .     49    TYR   N     N     15   115.27  0.01 .     1     .     .     
409   .     50    LYS   H     H     1     9.180 0.001 .     1     .     .     
410   .     50    LYS   HA    H     1     5.481 0.001 .     1     .     .     
411   .     50    LYS   HB2   H     1     1.967 0.001 .     2     .     .     
412   .     50    LYS   HB3   H     1     1.777 0.001 .     2     .     .     
413   .     50    LYS   HG2   H     1     1.337 0.001 .     2     .     .     
414   .     50    LYS   HG3   H     1     1.337 0.001 .     2     .     .     
415   .     50    LYS   HD2   H     1     1.421 0.001 .     2     .     .     
416   .     50    LYS   HD3   H     1     1.421 0.001 .     2     .     .     
417   .     50    LYS   HE2   H     1     @     @     .     2     .     .     
418   .     50    LYS   HE3   H     1     @     @     .     2     .     .     
419   .     50    LYS   QZ    H     1     @     @     .     1     .     .     
420   .     50    LYS   N     N     15   122.17  0.01 .     1     .     .     
421   .     50    LYS   NZ    N     15    @     @     .     1     .     .     
422   .     51    GLY   H     H     1     9.472 0.001 .     1     .     .     
423   .     51    GLY   HA2   H     1     3.938 0.001 .     2     .     .     
424   .     51    GLY   HA3   H     1     5.549 0.001 .     2     .     .     
425   .     51    GLY   N     N     15   117.98 0.001 .     1     .     .     
426   .     52    ARG   H     H     1     8.857 0.001 .     1     .     .     
427   .     52    ARG   HA    H     1     5.265 0.001 .     1     .     .     
428   .     52    ARG   HB2   H     1     1.928 0.001 .     2     .     .     
429   .     52    ARG   HB3   H     1     1.783 0.001 .     2     .     .     
430   .     52    ARG   HG2   H     1     1.593 0.001 .     2     .     .     
431   .     52    ARG   HG3   H     1     1.603 0.001 .     2     .     .     
432   .     52    ARG   HD2   H     1     2.981 0.001 .     2     .     .     
433   .     52    ARG   HD3   H     1     2.889 0.001 .     2     .     .     
434   .     52    ARG   HE    H     1     @     @     .     1     .     .     
435   .     52    ARG   HH11  H     1     @     @     .     2     .     .     
436   .     52    ARG   HH12  H     1     @     @     .     2     .     .     
437   .     52    ARG   HH21  H     1     @     @     .     2     .     .     
438   .     52    ARG   HH22  H     1     @     @     .     2     .     .     
439   .     52    ARG   N     N     15   123.15  0.01 .     1     .     .     
440   .     52    ARG   NE    N     15    @     @     .     1     .     .     
441   .     52    ARG   NH1   N     15    @     @     .     2     .     .     
442   .     52    ARG   NH2   N     15    @     @     .     2     .     .     
443   .     53    MET   H     H     1     8.853 0.001 .     1     .     .     
444   .     53    MET   HA    H     1     5.593 0.001 .     1     .     .     
445   .     53    MET   HB2   H     1     2.355 0.001 .     2     .     .     
446   .     53    MET   HB3   H     1     1.567 0.001 .     2     .     .     
447   .     53    MET   HG2   H     1     1.362 0.001 .     2     .     .     
448   .     53    MET   HG3   H     1     1.275 0.001 .     2     .     .     
449   .     53    MET   ME    H     1.    @     @     .     1     .     .     
450   .     53    MET   N     N     15   121.71  0.01 .     1     .     .     
451   .     54    TRP   H     H     1     9.073 0.001 .     1     .     .     
452   .     54    TRP   HA    H     1     5.177 0.001 .     1     .     .     
453   .     54    TRP   HB2   H     1     3.618 0.001 .     2     .     .     
454   .     54    TRP   HB3   H     1     3.452 0.001 .     2     .     .     
455   .     54    TRP   HD1   H     1     7.254 0.001 .     1     .     .     
456   .     54    TRP   HE1   H     1    10.473 0.001 .     1     .     .     
457   .     54    TRP   HE3   H     1     7.220 0.001 .     1     .     .     
458   .     54    TRP   HZ2   H     1     7.522 0.001 .     1     .     .     
459   .     54    TRP   HZ3   H     1     7.095 0.001 .     1     .     .     
460   .     54    TRP   HH2   H     1     7.242 0.001 .     1     .     .     
461   .     54    TRP   N     N     15   128.28  0.01 .     1     .     .     
462   .     54    TRP   NE1   N     15   129.30  0.01 .     1     .     .     
463   .     55    CYS   H     H     1    10.480 0.001 .     1     .     .     
464   .     55    CYS   HA    H     1     5.234 0.001 .     1     .     .     
465   .     55    CYS   HB2   H     1     3.440 0.001 .     2     .     .     
466   .     55    CYS   HB3   H     1     @     @     .     2     .     .     
467   .     55    CYS   HG    H     1     @     @     .     1     .     .     
468   .     55    CYS   N     N     15   122.09  0.01 .     1     .     .     
471   .     56    PRO   HA    H     1     4.623 0.001 .     1     .     .     
472   .     56    PRO   HB2   H     1     2.573 0.001 .     2     .     .     
473   .     56    PRO   HB3   H     1     2.170 0.001 .     2     .     .     
474   .     56    PRO   HG2   H     1     2.233 0.001 .     2     .     .     
475   .     56    PRO   HG3   H     1     2.149 0.001 .     2     .     .     
476   .     56    PRO   HD2   H     1     3.851 0.001 .     2     .     .     
477   .     56    PRO   HD3   H     1     3.659 0.001 .     2     .     .     
478   .     56    PRO   N     N     15    @     @     .     1     .     .     
479   .     57    GLY   H     H     1     9.054 0.001 .     1     .     .     
480   .     57    GLY   HA2   H     1     4.512 0.001 .     2     .     .     
481   .     57    GLY   HA3   H     1     3.829 0.001 .     2     .     .     
482   .     57    GLY   N     N     15    @     @     .     1     .     .     
483   .     58    TRP   H     H     1     7.940 0.001 .     1     .     .     
484   .     58    TRP   HA    H     1     5.147 0.001 .     1     .     .     
485   .     58    TRP   HB2   H     1     2.820 0.001 .     2     .     .     
486   .     58    TRP   HB3   H     1     3.185 0.001 .     2     .     .     
487   .     58    TRP   HD1   H     1     7.180 0.001 .     1     .     .     
488   .     58    TRP   HE1   H     1    10.199 0.001 .     1     .     .     
489   .     58    TRP   HE3   H     1     7.111 0.001 .     1     .     .     
490   .     58    TRP   HZ2   H     1     7.221 0.001 .     1     .     .     
491   .     58    TRP   HZ3   H     1     6.783 0.001 .     1     .     .     
492   .     58    TRP   HH2   H     1     6.616 0.001 .     1     .     .     
493   .     58    TRP   N     N     15   120.96  0.01 .     1     .     .     
494   .     58    TRP   NE1   N     15   130.02  0.01 .     1     .     .     
495   .     59    THR   H     H     1     7.412 0.001 .     1     .     .     
496   .     59    THR   HA    H     1     4.540 0.001 .     1     .     .     
497   .     59    THR   HB    H     1     3.361 0.001 .     1     .     .     
498   .     59    THR   HG1   H     1     @     @     .     1     .     .     
499   .     59    THR   MG    H     1     0.693 0.001 .     1     .     .     
500   .     59    THR   N     N     15   109.19  0.01 .     1     .     .     
501   .     60    ALA   H     H     1     8.524 0.001 .     1     .     .     
502   .     60    ALA   HA    H     1     4.522 0.001 .     1     .     .     
503   .     60    ALA   MB    H     1     1.440 0.001 .     1     .     .     
504   .     60    ALA   N     N     15    @     @     .     1     .     .     
505   .     61    ILE   H     H     1     7.858 0.001 .     1     .     .     
506   .     61    ILE   HA    H     1     3.644 0.001 .     1     .     .     
507   .     61    ILE   HB    H     1     1.197 0.001 .     1     .     .     
508   .     61    ILE   HG12  H     1     1.279 0.001 .     2     .     .     
509   .     61    ILE   HG13  H     1     1.279 0.001 .     2     .     .     
510   .     61    ILE   MG    H     1     0.253 0.001 .     1     .     .     
511   .     61    ILE   MD    H     1     0.795 0.001 .     1     .     .     
512   .     61    ILE   N     N     15   121.87  0.01 .     1     .     .     
513   .     62    ARG   H     H     1     8.208 0.001 .     1     .     .     
514   .     62    ARG   HA    H     1     5.460 0.001 .     1     .     .     
515   .     62    ARG   HB2   H     1     1.893 0.001 .     2     .     .     
516   .     62    ARG   HB3   H     1     1.751 0.001 .     2     .     .     
517   .     62    ARG   HG2   H     1     1.748 0.001 .     2     .     .     
518   .     62    ARG   HG3   H     1     1.630 0.001 .     2     .     .     
519   .     62    ARG   HD2   H     1     @     @     .     2     .     .     
520   .     62    ARG   HD3   H     1     @     @     .     2     .     .     
521   .     62    ARG   HE    H     1     @     @     .     1     .     .     
522   .     62    ARG   HH11  H     1     @     @     .     2     .     .     
523   .     62    ARG   HH12  H     1     @     @     .     2     .     .     
524   .     62    ARG   HH21  H     1     @     @     .     2     .     .     
525   .     62    ARG   HH22  H     1     @     @     .     2     .     .     
526   .     62    ARG   N     N     15   124.13  0.01 .     1     .     .     
527   .     62    ARG   NE    N     15    @     @     .     1     .     .     
528   .     62    ARG   NH1   N     15    @     @     .     2     .     .     
529   .     62    ARG   NH2   N     15    @     @     .     2     .     .     
530   .     63    GLY   H     H     1     9.657 0.001 .     1     .     .     
531   .     63    GLY   HA2   H     1     3.473 0.001 .     2     .     .     
532   .     63    GLY   HA3   H     1     5.174 0.001 .     2     .     .     
533   .     63    GLY   N     N     15   109.86  0.01 .     1     .     .     
534   .     64    GLU   H     H     1     9.770 0.001 .     1     .     .     
535   .     64    GLU   HA    H     1     5.316 0.001 .     1     .     .     
536   .     64    GLU   HB2   H     1     1.972 0.001 .     2     .     .     
537   .     64    GLU   HB3   H     1     @     @     .     2     .     .     
538   .     64    GLU   HG2   H     1     2.202 0.001 .     2     .     .     
539   .     64    GLU   HG3   H     1     @     @     .     2     .     .     
540   .     64    GLU   HE2   H     1     @     @     .     1     .     .     
541   .     64    GLU   N     N     15   124.78  0.01 .     1     .     .     
542   .     65    ALA   H     H     1     8.113 0.001 .     1     .     .     
543   .     65    ALA   HA    H     1     4.610 0.001 .     1     .     .     
544   .     65    ALA   MB    H     1     1.350 0.001 .     1     .     .     
545   .     65    ALA   N     N     15   122.11 0.001 .     1     .     .     
546   .     66    SER   H     H     1     8.465 0.001 .     1     .     .     
547   .     66    SER   HA    H     1     6.037 0.001 .     1     .     .     
548   .     66    SER   HB2   H     1     3.905 0.001 .     2     .     .     
549   .     66    SER   HB3   H     1     3.905 0.001 .     2     .     .     
550   .     66    SER   HG    H     1     @     @     .     1     .     .     
551   .     66    SER   N     N     15   113.98  0.01 .     1     .     .     
552   .     67    THR   H     H     1     8.862 0.001 .     1     .     .     
553   .     67    THR   HA    H     1     5.063 0.001 .     1     .     .     
554   .     67    THR   HB    H     1     4.731 0.001 .     1     .     .     
555   .     67    THR   HG1   H     1     @     @     .     1     .     .     
556   .     67    THR   MG    H     1     1.228 0.001 .     1     .     .     
557   .     67    THR   N     N     15   117.29  0.01 .     1     .     .     
558   .     68    ARG   H     H     1     8.675 0.001 .     1     .     .     
559   .     68    ARG   HA    H     1     4.259 0.001 .     1     .     .     
560   .     68    ARG   HB2   H     1     @     @     .     2     .     .     
561   .     68    ARG   HB3   H     1     @     @     .     2     .     .     
562   .     68    ARG   HG2   H     1     @     @     .     2     .     .     
563   .     68    ARG   HG3   H     1     @     @     .     2     .     .     
564   .     68    ARG   HD2   H     1     @     @     .     2     .     .     
565   .     68    ARG   HD3   H     1     @     @     .     2     .     .     
566   .     68    ARG   HE    H     1     @     @     .     1     .     .     
567   .     68    ARG   HH11  H     1     @     @     .     2     .     .     
568   .     68    ARG   HH12  H     1     @     @     .     2     .     .     
569   .     68    ARG   HH21  H     1     @     @     .     2     .     .     
570   .     68    ARG   HH22  H     1     @     @     .     2     .     .     
571   .     68    ARG   N     N     15   119.41  0.01 .     1     .     .     
572   .     68    ARG   NE    N     15    @     @     .     1     .     .     
573   .     68    ARG   NH1   N     15    @     @     .     2     .     .     
574   .     68    ARG   NH2   N     15    @     @     .     2     .     .     
575   .     69    SER   H     H     1     8.060 0.001 .     1     .     .     
576   .     69    SER   HA    H     1     4.695 0.001 .     1     .     .     
577   .     69    SER   HB2   H     1     3.874 0.001 .     2     .     .     
578   .     69    SER   HB3   H     1     3.960 0.001 .     2     .     .     
579   .     69    SER   HG    H     1     @     @     .     1     .     .     
580   .     69    SER   N     N     15    @     @     .     1     .     .     
581   .     70    GLN   H     H     1     8.740 0.001 .     1     .     .     
582   .     70    GLN   HA    H     1     3.033 0.001 .     1     .     .     
583   .     70    GLN   HB2   H     1     @     @     .     2     .     .     
584   .     70    GLN   HB3   H     1     @     @     .     2     .     .     
585   .     70    GLN   HG2   H     1     @     @     .     2     .     .     
586   .     70    GLN   HG3   H     1     @     @     .     2     .     .     
587   .     70    GLN   HE21  H     1     @     @     .     2     .     .     
588   .     70    GLN   HE22  H     1     @     @     .     2     .     .     
589   .     70    GLN   N     N     15    @     @     .     1     .     .     
590   .     70    GLN   NE2   N     15    @     @     .     1     .     .     
591   .     71    SER   H     H     1     8.195 0.001 .     1     .     .     
592   .     71    SER   HA    H     1     @     @     .     1     .     .     
593   .     71    SER   HB2   H     1     3.910 0.001 .     2     .     .     
594   .     71    SER   HB3   H     1     @     @     .     2     .     .     
595   .     71    SER   HG    H     1     @     @     .     1     .     .     
596   .     71    SER   N     N     15    @     @     .     1     .     .     
597   .     72    GLY   H     H     1     8.203 0.001 .     1     .     .     
598   .     72    GLY   HA2   H     1     3.977 0.001 .     2     .     .     
599   .     72    GLY   HA3   H     1     4.257 0.001 .     2     .     .     
600   .     72    GLY   N     N     15    @     @     .     1     .     .     
601   .     73    VAL   H     H     1     7.594 0.001 .     1     .     .     
602   .     73    VAL   HA    H     1     3.803 0.001 .     1     .     .     
603   .     73    VAL   HB    H     1     2.410 0.001 .     1     .     .     
604   .     73    VAL   MG1   H     1     1.042 0.001 .     2     .     .     
605   .     73    VAL   MG2   H     1     1.016 0.001 .     2     .     .     
606   .     73    VAL   N     N     15   120.89 0.001 .     1     .     .     
607   .     74    ALA   H     H     1     8.509 0.001 .     1     .     .     
608   .     74    ALA   HA    H     1     3.943 0.001 .     1     .     .     
609   .     74    ALA   MB    H     1     1.424 0.001 .     1     .     .     
610   .     74    ALA   N     N     15   129.25  0.01 .     1     .     .     
611   .     75    GLY   H     H     1     8.561 0.001 .     1     .     .     
612   .     75    GLY   HA2   H     1     3.741 0.001 .     2     .     .     
613   .     75    GLY   HA3   H     1     4.017 0.001 .     2     .     .     
614   .     75    GLY   N     N     15   105.81  0.01 .     1     .     .     
615   .     76    LYS   H     H     1     7.704 0.001 .     1     .     .     
616   .     76    LYS   HA    H     1     4.008 0.001 .     1     .     .     
617   .     76    LYS   HB2   H     1     1.816 0.001 .     2     .     .     
618   .     76    LYS   HB3   H     1     1.760 0.001 .     2     .     .     
619   .     76    LYS   HG2   H     1     1.678 0.001 .     2     .     .     
620   .     76    LYS   HG3   H     1     1.543 0.001 .     2     .     .     
621   .     76    LYS   HD2   H     1     @     @     .     2     .     .     
622   .     76    LYS   HD3   H     1     @     @     .     2     .     .     
623   .     76    LYS   HE2   H     1     @     @     .     2     .     .     
624   .     76    LYS   HE3   H     1     @     @     .     2     .     .     
625   .     76    LYS   QZ    H     1     @     @     .     1     .     .     
626   .     76    LYS   N     N     15   120.19  0.01 .     1     .     .     
627   .     76    LYS   NZ    N     15    @     @     .     1     .     .     
628   .     77    THR   H     H     1     8.172 0.001 .     1     .     .     
629   .     77    THR   HA    H     1     4.336 0.001 .     1     .     .     
630   .     77    THR   HB    H     1     3.407 0.001 .     1     .     .     
631   .     77    THR   HG1   H     1     @     @     .     1     .     .     
632   .     77    THR   MG    H     1     0.485 0.001 .     1     .     .     
633   .     77    THR   N     N     15   119.79  0.01 .     1     .     .     
634   .     78    ALA   H     H     1     8.113 0.001 .     1     .     .     
635   .     78    ALA   HA    H     1     4.185 0.001 .     1     .     .     
636   .     78    ALA   MB    H     1     1.552 0.001 .     1     .     .     
637   .     78    ALA   N     N     15   122.96  0.01 .     1     .     .     
638   .     79    LYS   H     H     1     8.344 0.001 .     1     .     .     
639   .     79    LYS   HA    H     1     3.830 0.001 .     1     .     .     
640   .     79    LYS   HB2   H     1     1.916 0.001 .     2     .     .     
641   .     79    LYS   HB3   H     1     1.916 0.001 .     2     .     .     
642   .     79    LYS   HG2   H     1     1.428 0.001 .     2     .     .     
643   .     79    LYS   HG3   H     1     1.428 0.001 .     2     .     .     
644   .     79    LYS   HD2   H     1     1.729 0.001 .     2     .     .     
645   .     79    LYS   HD3   H     1     1.729 0.001 .     2     .     .     
646   .     79    LYS   HE2   H     1     @     @     .     2     .     .     
647   .     79    LYS   HE3   H     1     @     @     .     2     .     .     
648   .     79    LYS   QZ    H     1     @     @     .     1     .     .     
649   .     79    LYS   N     N     15   116.41  0.01 .     1     .     .     
650   .     79    LYS   NZ    N     15    @     @     .     1     .     .     
651   .     80    ASP   H     H     1     7.733 0.001 .     1     .     .     
652   .     80    ASP   HA    H     1     4.514 0.001 .     1     .     .     
653   .     80    ASP   HB2   H     1     2.919 0.001 .     2     .     .     
654   .     80    ASP   HB3   H     1     2.983 0.001 .     2     .     .     
655   .     80    ASP   HD2   H     1     @     @     .     1     .     .     
656   .     80    ASP   N     N     15   119.36  0.01 .     1     .     .     
657   .     81    PHE   H     H     1     7.828 0.001 .     1     .     .     
658   .     81    PHE   HA    H     1     3.527 0.001 .     1     .     .     
659   .     81    PHE   HB2   H     1     3.442 0.001 .     2     .     .     
660   .     81    PHE   HB3   H     1     2.768 0.001 .     2     .     .     
661   .     81    PHE   HD1   H     1     6.732 0.001 .     3     .     .     
662   .     81    PHE   HD2   H     1     6.732 0.001 .     3     .     .     
663   .     81    PHE   HE1   H     1     6.912 0.001 .     3     .     .     
664   .     81    PHE   HE2   H     1     6.912 0.001 .     3     .     .     
665   .     81    PHE   HZ    H     1     6.587 0.001 .     1     .     .     
666   .     81    PHE   N     N     15   116.75  0.01 .     1     .     .     
667   .     82    VAL   H     H     1     8.486 0.001 .     1     .     .     
668   .     82    VAL   HA    H     1     3.276 0.001 .     1     .     .     
669   .     82    VAL   HB    H     1     2.187 0.001 .     1     .     .     
670   .     82    VAL   MG1   H     1     1.073 0.001 .     2     .     .     
671   .     82    VAL   MG2   H     1     1.161 0.001 .     2     .     .     
672   .     82    VAL   N     N     15   116.80  0.01 .     1     .     .     
673   .     83    ARG   H     H     1     8.720 0.001 .     1     .     .     
674   .     83    ARG   HA    H     1     4.003 0.001 .     1     .     .     
675   .     83    ARG   HB2   H     1     2.081 0.001 .     2     .     .     
676   .     83    ARG   HB3   H     1     1.947 0.001 .     2     .     .     
677   .     83    ARG   HG2   H     1     1.673 0.001 .     2     .     .     
678   .     83    ARG   HG3   H     1     @     @     .     2     .     .     
679   .     83    ARG   HD2   H     1     @     @     .     2     .     .     
680   .     83    ARG   HD3   H     1     @     @     .     2     .     .     
681   .     83    ARG   HE    H     1     @     @     .     1     .     .     
682   .     83    ARG   HH11  H     1     @     @     .     2     .     .     
683   .     83    ARG   HH12  H     1     @     @     .     2     .     .     
684   .     83    ARG   HH21  H     1     @     @     .     2     .     .     
685   .     83    ARG   HH22  H     1     @     @     .     2     .     .     
686   .     83    ARG   N     N     15   118.58  0.01 .     1     .     .     
687   .     83    ARG   NE    N     15    @     @     .     1     .     .     
688   .     83    ARG   NH1   N     15    @     @     .     2     .     .     
689   .     83    ARG   NH2   N     15    @     @     .     2     .     .     
690   .     84    LYS   H     H     1     7.404 0.001 .     1     .     .     
691   .     84    LYS   HA    H     1     3.909 0.001 .     1     .     .     
692   .     84    LYS   HB2   H     1     1.615 0.001 .     2     .     .     
693   .     84    LYS   HB3   H     1     1.615 0.001 .     2     .     .     
694   .     84    LYS   HG2   H     1     1.345 0.001 .     2     .     .     
695   .     84    LYS   HG3   H     1     1.345 0.001 .     2     .     .     
696   .     84    LYS   HD2   H     1     1.493 0.001 .     2     .     .     
697   .     84    LYS   HD3   H     1     1.493 0.001 .     2     .     .     
698   .     84    LYS   HE2   H     1     @     @     .     2     .     .     
699   .     84    LYS   HE3   H     1     @     @     .     2     .     .     
700   .     84    LYS   QZ    H     1     @     @     .     1     .     .     
701   .     84    LYS   N     N     15   118.76  0.01 .     1     .     .     
702   .     84    LYS   NZ    N     15    @     @     .     1     .     .     
703   .     85    ALA   H     H     1     8.483 0.001 .     1     .     .     
704   .     85    ALA   HA    H     1     3.542 0.001 .     1     .     .     
705   .     85    ALA   MB    H     1     0.990 0.001 .     1     .     .     
706   .     85    ALA   N     N     15   121.51  0.01 .     1     .     .     
707   .     86    PHE   H     H     1     8.529 0.001 .     1     .     .     
708   .     86    PHE   HA    H     1     4.330 0.001 .     1     .     .     
709   .     86    PHE   HB2   H     1     2.578 0.001 .     2     .     .     
710   .     86    PHE   HB3   H     1     2.101 0.001 .     2     .     .     
711   .     86    PHE   HD1   H     1     7.098 0.001 .     3     .     .     
712   .     86    PHE   HD2   H     1     7.098 0.001 .     3     .     .     
713   .     86    PHE   HE1   H     1     6.921 0.001 .     3     .     .     
714   .     86    PHE   HE2   H     1     6.921 0.001 .     3     .     .     
715   .     86    PHE   HZ    H     1     6.880 0.001 .     1     .     .     
716   .     86    PHE   N     N     15   118.07  0.01 .     1     .     .     
717   .     87    GLN   H     H     1     8.254 0.001 .     1     .     .     
718   .     87    GLN   HA    H     1     3.987 0.001 .     1     .     .     
719   .     87    GLN   HB2   H     1     2.121 0.001 .     2     .     .     
720   .     87    GLN   HB3   H     1     2.294 0.001 .     2     .     .     
721   .     87    GLN   HG2   H     1     2.666 0.001 .     2     .     .     
722   .     87    GLN   HG3   H     1     2.450 0.001 .     2     .     .     
723   .     87    GLN   HE21  H     1     @     @     .     2     .     .     
724   .     87    GLN   HE22  H     1     @     @     .     2     .     .     
725   .     87    GLN   N     N     15   120.89  0.01 .     1     .     .     
726   .     87    GLN   NE2   N     15    @     @     .     1     .     .     
727   .     88    LYS   H     H     1     7.946 0.001 .     1     .     .     
728   .     88    LYS   HA    H     1     4.320 0.001 .     1     .     .     
729   .     88    LYS   HB2   H     1     1.650 0.001 .     2     .     .     
730   .     88    LYS   HB3   H     1     1.906 0.001 .     2     .     .     
731   .     88    LYS   HG2   H     1     1.481 0.001 .     2     .     .     
732   .     88    LYS   HG3   H     1     1.347 0.001 .     2     .     .     
733   .     88    LYS   HD2   H     1     @     @     .     2     .     .     
734   .     88    LYS   HD3   H     1     @     @     .     2     .     .     
735   .     88    LYS   HE2   H     1     @     @     .     2     .     .     
736   .     88    LYS   HE3   H     1     @     @     .     2     .     .     
737   .     88    LYS   QZ    H     1     @     @     .     1     .     .     
738   .     88    LYS   N     N     15   115.29  0.01 .     1     .     .     
739   .     88    LYS   NZ    N     15    @     @     .     1     .     .     
740   .     89    GLY   H     H     1     7.563 0.001 .     1     .     .     
741   .     89    GLY   HA2   H     1     3.819 0.001 .     2     .     .     
742   .     89    GLY   HA3   H     1     4.057 0.001 .     2     .     .     
743   .     89    GLY   N     N     15   107.58  0.01 .     1     .     .     
744   .     90    LEU   H     H     1     8.063 0.001 .     1     .     .     
745   .     90    LEU   HA    H     1     4.081 0.001 .     1     .     .     
746   .     90    LEU   HB2   H     1     1.152 0.001 .     2     .     .     
747   .     90    LEU   HB3   H     1     1.389 0.001 .     2     .     .     
748   .     90    LEU   HG    H     1     1.233 0.001 .     1     .     .     
749   .     90    LEU   MD1   H     1     0.339 0.001 .     2     .     .     
750   .     90    LEU   MD2   H     1    -0.097 0.001 .     2     .     .     
751   .     90    LEU   N     N     15   120.80  0.01 .     1     .     .     
752   .     91    ILE   H     H     1     6.525 0.001 .     1     .     .     
753   .     91    ILE   HA    H     1     4.600 0.001 .     1     .     .     
754   .     91    ILE   HB    H     1     1.227 0.001 .     1     .     .     
755   .     91    ILE   HG12  H     1     1.094 0.001 .     2     .     .     
756   .     91    ILE   HG13  H     1     1.094 0.001 .     2     .     .     
757   .     91    ILE   MG    H     1     0.783 0.001 .     1     .     .     
758   .     91    ILE   MD    H     1     0.593 0.001 .     1     .     .     
759   .     91    ILE   N     N     15   109.80  0.01 .     1     .     .     
760   .     92    SER   H     H     1     8.822 0.001 .     1     .     .     
761   .     92    SER   HA    H     1     4.874 0.001 .     1     .     .     
762   .     92    SER   HB2   H     1     4.044 0.001 .     2     .     .     
763   .     92    SER   HB3   H     1     4.457 0.001 .     2     .     .     
764   .     92    SER   HG    H     1     @     @     .     1     .     .     
765   .     92    SER   N     N     15   120.24  0.01 .     1     .     .     
766   .     93    GLN   H     H     1     9.324 0.001 .     1     .     .     
767   .     93    GLN   HA    H     1     4.020 0.001 .     1     .     .     
768   .     93    GLN   HB2   H     1     2.190 0.001 .     2     .     .     
769   .     93    GLN   HB3   H     1     @     @     .     2     .     .     
770   .     93    GLN   HG2   H     1     2.380 0.001 .     2     .     .     
771   .     93    GLN   HG3   H     1     @     @     .     2     .     .     
772   .     93    GLN   HE21  H     1     @     @     .     2     .     .     
773   .     93    GLN   HE22  H     1     @     @     .     2     .     .     
774   .     93    GLN   N     N     15   121.83  0.01 .     1     .     .     
775   .     93    GLN   NE2   N     15    @     @     .     1     .     .     
776   .     94    GLN   H     H     1     8.740 0.001 .     1     .     .     
777   .     94    GLN   HA    H     1     4.236 0.001 .     1     .     .     
778   .     94    GLN   HB2   H     1     2.520 0.001 .     2     .     .     
779   .     94    GLN   HB3   H     1     @     @     .     2     .     .     
780   .     94    GLN   HG2   H     1     @     @     .     2     .     .     
781   .     94    GLN   HG3   H     1     @     @     .     2     .     .     
782   .     94    GLN   HE21  H     1     @     @     .     2     .     .     
783   .     94    GLN   HE22  H     1     @     @     .     2     .     .     
784   .     94    GLN   N     N     15    @     @     .     1     .     .     
785   .     94    GLN   NE2   N     15    @     @     .     1     .     .     
786   .     95    GLU   H     H     1     7.953 0.001 .     1     .     .     
787   .     95    GLU   HA    H     1     4.158 0.001 .     1     .     .     
788   .     95    GLU   HB2   H     1     2.084 0.001 .     2     .     .     
789   .     95    GLU   HB3   H     1     2.198 0.001 .     2     .     .     
790   .     95    GLU   HG2   H     1     2.342 0.001 .     2     .     .     
791   .     95    GLU   HG3   H     1     2.404 0.001 .     2     .     .     
792   .     95    GLU   HE2   H     1     @     @     .     1     .     .     
793   .     95    GLU   N     N     15   120.11  0.01 .     1     .     .     
794   .     96    ALA   H     H     1     8.406 0.001 .     1     .     .     
795   .     96    ALA   HA    H     1     4.160 0.001 .     1     .     .     
796   .     96    ALA   MB    H     1     1.672 0.001 .     1     .     .     
797   .     96    ALA   N     N     15   122.16  0.01 .     1     .     .     
798   .     97    ASN   H     H     1     8.559 0.001 .     1     .     .     
799   .     97    ASN   HA    H     1     4.561 0.001 .     1     .     .     
800   .     97    ASN   HB2   H     1     2.973 0.001 .     2     .     .     
801   .     97    ASN   HB3   H     1     2.856 0.001 .     2     .     .     
802   .     97    ASN   HD21  H     1     @     @     .     2     .     .     
803   .     97    ASN   HD22  H     1     @     @     .     2     .     .     
804   .     97    ASN   N     N     15   115.72  0.01 .     1     .     .     
805   .     97    ASN   ND2   N     15    @     @     .     1     .     .     
806   .     98    GLN   H     H     1     8.096 0.001 .     1     .     .     
807   .     98    GLN   HA    H     1     4.161 0.001 .     1     .     .     
808   .     98    GLN   HB2   H     1     2.288 0.001 .     2     .     .     
809   .     98    GLN   HB3   H     1     2.321 0.001 .     2     .     .     
810   .     98    GLN   HG2   H     1     2.588 0.001 .     2     .     .     
811   .     98    GLN   HG3   H     1     2.483 0.001 .     2     .     .     
812   .     98    GLN   HE21  H     1     7.527 0.001 .     2     .     .     
813   .     98    GLN   HE22  H     1     6.924 0.001 .     2     .     .     
814   .     98    GLN   N     N     15   119.99  0.01 .     1     .     .     
815   .     98    GLN   NE2   N     15   112.36  0.01 .     1     .     .     
816   .     99    TRP   H     H     1     8.261 0.001 .     1     .     .     
817   .     99    TRP   HA    H     1     4.440 0.001 .     1     .     .     
818   .     99    TRP   HB2   H     1     3.431 0.001 .     2     .     .     
819   .     99    TRP   HB3   H     1     3.542 0.001 .     2     .     .     
820   .     99    TRP   HD1   H     1     7.582 0.001 .     1     .     .     
821   .     99    TRP   HE1   H     1    11.328 0.001 .     1     .     .     
822   .     99    TRP   HE3   H     1     7.507 0.001 .     1     .     .     
823   .     99    TRP   HZ2   H     1     7.675 0.001 .     1     .     .     
824   .     99    TRP   HZ3   H     1     7.454 0.001 .     1     .     .     
825   .     99    TRP   HH2   H     1     7.262 0.001 .     1     .     .     
826   .     99    TRP   N     N     15   122.15  0.01 .     1     .     .     
827   .     99    TRP   NE1   N     15   132.92  0.01 .     1     .     .     
828   .     100   LEU   H     H     1     8.367 0.001 .     1     .     .     
829   .     100   LEU   HA    H     1     3.751 0.001 .     1     .     .     
830   .     100   LEU   HB2   H     1     2.101 0.001 .     2     .     .     
831   .     100   LEU   HB3   H     1     2.172 0.001 .     2     .     .     
832   .     100   LEU   HG    H     1     1.633 0.001 .     1     .     .     
833   .     100   LEU   MD1   H     1     1.071 0.001 .     2     .     .     
834   .     100   LEU   MD2   H     1     0.909 0.001 .     2     .     .     
835   .     100   LEU   N     N     15   118.16  0.01 .     1     .     .     
836   .     101   SER   H     H     1     7.462 0.001 .     1     .     .     
837   .     101   SER   HA    H     1     4.483 0.001 .     1     .     .     
838   .     101   SER   HB2   H     1     4.031 0.001 .     2     .     .     
839   .     101   SER   HB3   H     1     4.010 0.001 .     2     .     .     
840   .     101   SER   HG    H     1     @     @     .     1     .     .     
841   .     101   SER   N     N     15   113.49 0.001 .     1     .     .     
842   .     102   SER   H     H     1     7.373 0.001 .     1     .     .     
843   .     102   SER   HA    H     1     4.271 0.001 .     1     .     .     
844   .     102   SER   HB2   H     1     3.888 0.001 .     2     .     .     
845   .     102   SER   HB3   H     1     3.888 0.001 .     2     .     .     
846   .     102   SER   HG    H     1     @     @     .     1     .     .     
847   .     102   SER   N     N     15   122.70  0.01 .     1     .     .     

stop_

# The following table is used to define sets of 0.001 ambiguous Atom-shift
# assignments with ambiguity codes of 4 or 5 tak0.001 en from the above list
# of assigned chemical shifts.  Each set of ambiguous chemical shift
# assignments should be given a unique 'Set_ID'. As shown in the example
# below, the 'Set_ID' is given in the first column of the table and the
# 'Atom_chem_shift.ID' for the chemical shift assignment that is a
# member of the set is given in the second column (should have an
# ambiguity code of 4 or 5).  In the example, the first set (Set_ID = 1)
# has two members with Atom_chem_shift.IDs 158 and 171).  Each set
# indicates that the observed chemical shifts are related to the defined
# atoms, but have not been assigned uniquely to a specific atom in the
# set.

loop_
    _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
    _Ambiguous_atom_chem_shift.Atom_chem_shift_ID
 
#
#            Set_ID              Atom_chem_shift_ID
              @                    @
              @                    @

#
#    ------------------------------------------
# Example:    1                    158
#             1                    171
#             2                    234
#             2                    257

stop_
                                  




assign (resid 6  and name HA1) (resid 6  and name  HN)  2.90 0.80 0.00
assign (resid 6  and name HA2) (resid 6  and name  HN)  2.80 0.80 0.00
assign (resid 6  and name HA1) (resid 7  and name  HN)  3.40 1.40 0.00
assign (resid 6  and name HA2) (resid 7  and name  HN)  3.60 1.60 0.00
assign (resid 6  and name HN) (resid 7  and name  HN)  3.20 1.00 0.00
assign (resid 7  and name  HA) (resid 7  and name  HN)  2.80 1.00 0.00  
assign (resid 7  and name HB1) (resid 7  and name  HN)  3.60 1.60 0.00  
assign (resid 7  and name HB2) (resid 7  and name  HN)  3.60 1.60 0.00
assign (resid 7  and name  HA) (resid 8  and name  HN)  3.60 1.60 0.00  
assign (resid 7  and name HB1) (resid 8  and name  HN)  4.40 2.60 0.00  
assign (resid 7  and name HB2) (resid 8  and name  HN)  4.40 2.60 0.00
assign (resid 7  and name HN) (resid 8  and name  HN)  2.80 0.80 0.00  
assign (resid 8  and name HA) (resid 8  and name  HN)  2.80 0.80 0.00    
assign (resid 8  and name HB1) (resid 8  and name  HN)  3.40 1.40 0.00
assign (resid 8  and name HB2) (resid 8  and name  HN)  3.40 1.40 0.00
assign (resid 8  and name HN) (resid 6  and name  HA2)  4.80 2.80 0.00 !
assign (resid 8  and name HN) (resid 6  and name  HN)  4.60 2.60 0.00 !
assign (resid 8  and name HA) (resid 9  and name  HN)  3.50 1.50 0.00 
assign (resid 8  and name HN) (resid 9  and name  HN)  2.80 0.80 0.00 
assign (resid 8  and name HB#) (resid 9  and name  HN)  5.40 3.40 0.00
assign (resid 9  and name  HA) (resid 9  and name  HN)  2.70 0.90 0.00  
assign (resid 9  and name HB#) (resid 9  and name  HN)  4.40 2.60 0.00
assign (resid 9  and name HN) (resid 7  and name  HA)  4.40 2.80 0.00 
assign (resid 9  and name HN) (resid 7  and name  HN)  4.20 2.80 0.00
assign (resid 9  and name HN) (resid 6  and name  HA2)  4.00 2.00 0.00 !
assign (resid 9  and name  HA) (resid 10 and name  HN)  3.50 1.50 0.00  
assign (resid 9  and name HB#) (resid 10  and name HN)   4.80 2.80 0.00 
assign (resid 9  and name HN) (resid 10  and name  HN)  2.80 0.80 0.00
assign (resid 10  and name  HA) (resid 10  and name HN)  2.70 0.70 0.00  
assign (resid 10  and name HB) (resid 10  and name HN)   2.80 0.80 0.00  
assign (resid 10  and name HG1#) (resid 10  and name HN) 5.40 3.40 0.00
assign (resid 10  and name HG2#) (resid 10  and name HN) 4.40 2.40 0.00
assign (resid 10  and name HN) (resid 7  and name  HA)  3.40 1.40 0.00 
assign (resid 10  and name HN) (resid 8  and name  HA)  4.40 2.40 0.00
assign (resid 10  and name HN) (resid 8  and name  HN)  4.20 2.20 0.00 
assign (resid 10 and name  HA) (resid 11 and name  HN)  3.50 1.50 0.00
assign (resid 10 and name  HN) (resid 11 and name  HN)  2.80 0.80 0.00
assign (resid 10 and name  HB) (resid 11 and name  HN)  2.80 0.80 0.00
assign (resid 10  and name HG1#) (resid 11  and name HN) 5.00 3.00 0.00
assign (resid 10  and name HG2#) (resid 11  and name HN) 5.80 3.80 0.00
assign (resid 11 and name  HA) (resid 11 and name  HN)  2.70 0.70 0.00  
assign (resid 11 and name HB#) (resid 11 and name  HN)  5.00 3.00 0.00
assign (resid 11  and name HN) (resid 7  and name  HA)  4.20 2.20 0.00
assign (resid 11  and name HN) (resid 8  and name  HA)  3.40 1.40 0.00 
assign (resid 11  and name HN) (resid 9  and name  HA)  4.40 2.40 0.00
assign (resid 11  and name HN) (resid 9  and name  HN)  4.20 2.20 0.00 
assign (resid 11 and name  HA) (resid 12 and name  HN)  3.60 1.60 0.00  
assign (resid 11 and name  HN) (resid 12 and name  HN)  2.80 0.80 0.00
assign (resid 11 and name  HB#) (resid 12 and name  HN)  5.00 3.00 0.00
assign (resid 12 and name  HA) (resid 12 and name  HN)  2.70 0.70 0.00  
assign (resid 12 and name HB#) (resid 12 and name  HN)  5.00 3.00 0.00
assign (resid 12  and name HN) (resid 8  and name  HA)  4.20 2.20 0.00
assign (resid 12  and name HN) (resid 9  and name  HA)  3.40 1.40 0.00 
assign (resid 12  and name HN) (resid 10  and name  HA)  4.40 2.40 0.00
assign (resid 12  and name HN) (resid 10  and name  HN)  4.20 2.20 0.00 
assign (resid 12 and name  HA) (resid 13 and name  HN)  3.60 1.60 0.00  
assign (resid 12 and name  HN) (resid 13 and name  HN)  2.80 0.80 0.00
assign (resid 12 and name  HB#) (resid 13 and name  HN)  5.00 3.00 0.00
assign (resid 13 and name  HA) (resid 13 and name  HN)  2.70 0.70 0.00  
assign (resid 13 and name HB#) (resid 13 and name  HN)  5.00 3.00 0.00
assign (resid 13  and name HN) (resid 9  and name  HA)  4.20 2.20 0.00
assign (resid 13  and name HN) (resid 10  and name  HA) 3.40 1.40 0.00 
assign (resid 13  and name HN) (resid 11  and name  HA) 4.40 2.40 0.00
assign (resid 13  and name HN) (resid 11  and name  HN) 4.20 2.20 0.00 
assign (resid 13 and name  HA) (resid 14 and name  HN)  3.60 1.60 0.00  
assign (resid 13 and name  HN) (resid 14 and name  HN)  2.80 0.80 0.00
assign (resid 13 and name  HB#) (resid 14 and name  HN)  5.00 3.00 0.00
assign (resid 14 and name  HA) (resid 14 and name  HN)  2.70 0.70 0.00  
assign (resid 14 and name  HB) (resid 14 and name  HN)  2.60 0.60 0.00
assign (resid 14 and name  HG1#) (resid 14 and name  HN) 5.80 3.80 0.00
assign (resid 14 and name  HG2#) (resid 14 and name  HN) 4.40 2.40 0.00
assign (resid 14 and name  HN) (resid 100 and name  HD1#) 5.40 3.00 0.00
assign (resid 14 and name  HN) (resid 100 and name  HD2#) 6.00 3.40 0.00
assign (resid 14 and name  HB) (resid 82 and name  HG1#) 5.40 2.20 0.00
assign (resid 14 and name  HB) (resid 82 and name  HG2#) 6.80 3.80 0.00
assign (resid 14 and name  HG2#) (resid 96 and name  HB#) 6.20 4.00 0.00
assign (resid 14  and name HN) (resid 10  and name  HA) 4.20 2.20 0.00
assign (resid 14  and name HN) (resid 11  and name  HA) 3.40 1.40 0.00 
assign (resid 14  and name HN) (resid 12  and name  HA) 4.40 2.40 0.00
assign (resid 14  and name HN) (resid 12  and name  HN) 4.20 2.20 0.00 
assign (resid 14 and name  HA) (resid 15 and name  HN)  3.60 1.60 0.00  
assign (resid 14 and name  HN) (resid 15 and name  HN)  2.80 0.80 0.00
assign (resid 14 and name  HB) (resid 15 and name  HN)   3.00 1.00 0.00
assign (resid 14 and name  HG1#) (resid 15 and name  HN) 4.80 3.40 0.00
assign (resid 14 and name  HG2#) (resid 15 and name  HN) 5.80 4.80 0.00
assign (resid 15 and name  HA) (resid 15 and name  HN)  2.70 0.70 0.00  
assign (resid 15 and name  HB#) (resid 15 and name  HN)  4.80 2.80 0.00
assign (resid 15 and name  HN) (resid 82 and name  HB)  5.00 3.00 0.00
assign (resid 15 and name  HN) (resid 82 and name  HG1#) 6.00 3.60 0.00
assign (resid 15 and name  HN) (resid 82 and name  HG2#) 5.40 2.60 0.00
assign (resid 15 and name  HA) (resid 82 and name  HG2#) 5.40 2.20 0.00
assign (resid 15  and name HN) (resid 11  and name  HA)  4.20 2.20 0.00
assign (resid 15  and name HN) (resid 12  and name  HA)  3.40 1.40 0.00 
assign (resid 15  and name HN) (resid 13  and name  HA)  4.40 2.40 0.00
assign (resid 15  and name HN) (resid 13  and name  HN)  4.20 2.20 0.00 
assign (resid 15 and name  HA) (resid 16 and name  HN)  3.60 1.60 0.00  
assign (resid 15 and name  HN) (resid 16 and name  HN)  2.80 0.80 0.00
assign (resid 15 and name  HB#) (resid 16 and name  HN)  5.00 3.00 0.00
assign (resid 16 and name  HA) (resid 16 and name  HN)  2.70 0.70 0.00  
assign (resid 16 and name  HB1) (resid 16 and name  HN)  4.40 2.40 0.00
assign (resid 16 and name  HB2) (resid 16 and name  HN)  4.40 2.40 0.00
assign (resid 16  and name HN) (resid 12  and name  HA)  4.20 2.20 0.00
assign (resid 16  and name HN) (resid 13  and name  HA)  3.40 1.40 0.00 
assign (resid 16  and name HN) (resid 14  and name  HA)  4.40 2.40 0.00
assign (resid 16  and name HN) (resid 14  and name  HN)  4.20 2.20 0.00 
assign (resid 16 and name  HA) (resid 17 and name  HN)  3.60 1.60 0.00  
assign (resid 16 and name  HN) (resid 17 and name  HN)  2.80 0.80 0.00
assign (resid 16 and name  HB#) (resid 17 and name  HN)  5.40 2.80 0.00
assign (resid 17 and name  HA) (resid 17 and name  HN)  2.70 0.70 0.00  
assign (resid 17 and name  HB1) (resid 17 and name  HN)  3.00 1.00 0.00
assign (resid 17 and name  HB2) (resid 17 and name  HN)  3.00 1.40 0.00
assign (resid 17  and name HN) (resid 13  and name  HA)  4.20 2.20 0.00
assign (resid 17  and name HN) (resid 14  and name  HA)  3.40 1.40 0.00 
assign (resid 17  and name HN) (resid 15  and name  HA)  4.40 2.40 0.00
assign (resid 17  and name HN) (resid 15  and name  HN)  4.20 2.20 0.00 
assign (resid 17 and name  HA) (resid 18 and name  HN)  3.60 1.60 0.00  
assign (resid 17 and name  HN) (resid 18 and name  HN)  2.80 0.80 0.00
assign (resid 17 and name  HB#) (resid 18 and name  HN)  5.40 2.80 0.00
assign (resid 18 and name  HA) (resid 18 and name  HN)  2.70 0.70 0.00  
assign (resid 18 and name  HG11) (resid 18 and name  HN)  3.60 1.60 0.00
assign (resid 18 and name  HG12) (resid 18 and name  HN)  3.60 1.60 0.00
assign (resid 18 and name  HB) (resid 18 and name  HN)  2.60 0.60 0.00
assign (resid 18 and name  HG2#) (resid 18 and name  HN)  5.00 3.00 0.00
assign (resid 18  and name HN) (resid 14  and name  HA) 4.40 2.20 0.00
assign (resid 18  and name HN) (resid 15  and name  HA) 3.40 1.40 0.00 
assign (resid 18  and name HN) (resid 16  and name  HA) 4.40 2.40 0.00
assign (resid 18  and name HN) (resid 16  and name  HN) 4.20 2.20 0.00 
assign (resid 18 and name  HA) (resid 19 and name  HN)  3.60 1.60 0.00  
assign (resid 18 and name  HN) (resid 19 and name  HN)  2.80 0.80 0.00
assign (resid 18 and name  HB) (resid 19 and name  HN)  2.80 0.80 0.00
assign (resid 18 and name  HG2#) (resid 19 and name  HN)  5.40 3.40 0.00
assign (resid 19 and name  HA) (resid 19 and name  HN)  2.70 0.70 0.00  
assign (resid 19 and name  HB) (resid 19 and name  HN)   2.60 1.60 0.00
assign (resid 19 and name  HG2#) (resid 19 and name  HN) 4.80 1.60 0.00
assign (resid 19 and name  HG1#) (resid 19 and name  HN) 5.80 1.60 0.00
assign (resid 19  and name HN) (resid 15  and name  HA)  4.60 2.20 0.00
assign (resid 19  and name HN) (resid 16  and name  HA)  3.60 1.40 0.00 
assign (resid 19  and name HN) (resid 17  and name  HA)  4.60 2.40 0.00
assign (resid 19  and name HN) (resid 17  and name  HN)  4.40 2.20 0.00 
assign (resid 19 and name  HA) (resid 20 and name  HN)  3.60 1.60 0.00  
assign (resid 19 and name  HN) (resid 20 and name  HN)  2.80 0.80 0.00
assign (resid 19 and name  HB) (resid 20 and name  HN)   2.60 3.40 0.00
assign (resid 19 and name  HG1#) (resid 20 and name HN)  5.40 3.40 0.00
assign (resid 19 and name  HG2#) (resid 20 and name HN)  6.40 4.40 0.00
assign (resid 20 and name  HA1) (resid 20 and name  HN)  2.60 0.60 0.00
assign (resid 20 and name  HA2) (resid 20 and name  HN)  3.00 0.80 0.00  
assign (resid 20  and name HN) (resid 16  and name  HA)  4.40 2.20 0.00
assign (resid 20  and name HN) (resid 17  and name  HA)  3.80 1.40 0.00 
assign (resid 20  and name HN) (resid 18  and name  HA)  4.60 2.40 0.00
assign (resid 20  and name HN) (resid 18  and name  HN)  4.60 2.20 0.00
assign (resid 20 and name  HA1) (resid 21 and name  HN)  3.20 1.20 0.00
assign (resid 20 and name  HA2) (resid 21 and name  HN)  3.60 1.60 0.00 
assign (resid 20 and name  HN) (resid 21 and name  HN)  2.80 0.80 0.00
assign (resid 21 and name  HA) (resid 21 and name  HN)  2.80 0.80 0.00
assign (resid 21 and name  HB1) (resid 21 and name  HN)  2.80 0.80 0.00
assign (resid 21 and name  HB2) (resid 21 and name  HN)  2.80 0.80 0.00
assign (resid 21 and name  HG) (resid 21 and name  HN)  4.80 2.80 0.00
assign (resid 21 and name  HD1#) (resid 21 and name HN)  6.40 3.40 0.00
assign (resid 21 and name  HD2#) (resid 21 and name HN)  6.40 4.80 0.00
assign (resid 21 and name  HA) (resid 22 and name  HN)  3.60 1.60 0.00
assign (resid 21 and name  HN) (resid 22 and name  HN)  2.80 0.80 0.00
assign (resid 21 and name  HB1) (resid 22 and name  HN)  4.40 1.40 0.00
assign (resid 21 and name  HB2) (resid 22 and name  HN)  4.40 1.40 0.00
assign (resid 21 and name  HD1#) (resid 22 and name HN)  7.40 4.80 0.00
assign (resid 21 and name  HD2#) (resid 22 and name HN)  7.40 4.80 0.00
assign (resid 22 and name  HA) (resid 22 and name  HN)  2.80 0.80 0.00
assign (resid 22 and name  HB1) (resid 22 and name  HN)  2.80 0.80 0.00
assign (resid 22 and name  HB2) (resid 22 and name  HN)  2.80 0.80 0.00
assign (resid 22 and name  HN) (resid 20 and name  HN)  4.80 0.40 0.00
assign (resid 22 and name  HN) (resid 20 and name  HA2)  4.60 0.40 0.00
assign (resid 22 and name  HN) (resid 19 and name  HA)  3.80 0.40 0.00
assign (resid 22 and name  HA) (resid 23 and name  HN)  2.40 0.40 0.00
assign (resid 22 and name  HN) (resid 23 and name  HN)  4.60 2.60 0.00
assign (resid 22 and name  HB1) (resid 23 and name  HN)  5.00 2.40 0.00
assign (resid 22 and name  HB2) (resid 23 and name  HN)  5.00 2.40 0.00
assign (resid 22 and name  HD1) (resid 23 and name  HN)  2.60 0.40 0.00
assign (resid 22 and name  HE1) (resid 23 and name  HN)  5.00 1.00 0.00
assign (resid 23 and name  HA) (resid 23 and name  HN)  2.90 0.90 0.00
assign (resid 23 and name  HB1) (resid 23 and name  HN)  4.00 2.00 0.00
assign (resid 23 and name  HB2) (resid 23 and name  HN)  4.00 2.00 0.00
assign (resid 23 and name  HG2#) (resid 23 and name HN)  5.80 3.80 0.00
assign (resid 23 and name  HN) (resid 26 and name  HN)   2.80 0.20 0.00 !
assign (resid 23 and name  HN) (resid 26 and name  O)   2.20 0.20 0.00 !
assign (resid 23 and name  HN) (resid 25 and name  HN)   4.80 0.80 0.00 !
assign (resid 23 and name  HN) (resid 27 and name  HA)   4.00 0.40 0.00 !
assign (resid 23 and name  HN) (resid 27 and name  HB)   4.40 2.40 0.00 !
assign (resid 23 and name  HA) (resid 24 and name  HN)  2.60 0.40 0.00
assign (resid 23 and name  HN) (resid 24 and name  HN)  4.60 2.60 0.00
assign (resid 23 and name  HB1) (resid 24 and name  HN)  4.80 2.00 0.00
assign (resid 23 and name  HB2) (resid 24 and name  HN)  4.80 2.00 0.00
assign (resid 24 and name  HA) (resid 24 and name  HN)  2.80 0.80 0.00
assign (resid 24 and name  HB1) (resid 24 and name  HN)  3.60 1.60 0.00
assign (resid 24 and name  HB2) (resid 24 and name  HN)  3.60 1.60 0.00
assign (resid 24 and name  HA) (resid 25 and name  HN)  3.60 1.60 0.00
assign (resid 24 and name  HN) (resid 25 and name  HN)  2.80 0.60 0.00
assign (resid 24 and name  HB1) (resid 25 and name  HN)  3.40 1.40 0.00
assign (resid 24 and name  HB2) (resid 25 and name  HN)  3.40 1.40 0.00
assign (resid 25 and name  HA) (resid 25 and name  HN)  2.90 0.90 0.00
assign (resid 25 and name  HB1) (resid 25 and name  HN)  3.60 1.60 0.00
assign (resid 25 and name  HB2) (resid 25 and name  HN)  4.00 1.60 0.00
assign (resid 25 and name  HN) (resid 22 and name  HE1)  4.00 1.00 0.00
assign (resid 25 and name  HA) (resid 22 and name  HE1)  2.80 0.60 0.00
assign (resid 25 and name  HA) (resid 26 and name  HN)  2.80 0.80 0.00
assign (resid 25 and name  HN) (resid 26 and name  HN)  3.20 1.40 0.00
assign (resid 25 and name  HB1) (resid 26 and name  HN)  4.80 2.80 0.00
assign (resid 25 and name  HB2) (resid 26 and name  HN)  4.80 2.80 0.00
assign (resid 26 and name  HA) (resid 26 and name  HN)  2.90 0.90 0.00
assign (resid 26 and name  HB1) (resid 26 and name  HN)  2.80 0.80 0.00
assign (resid 26 and name  HB2) (resid 26 and name  HN)  3.00 1.00 0.00
assign (resid 26 and name  HN) (resid 22 and name  HD1)  3.60 1.00 0.00
assign (resid 26 and name  HN) (resid 24 and name  HB1)  5.20 0.80 0.00 !
assign (resid 26 and name  HN) (resid 24 and name  HB2)  4.80 2.80 0.00 !
assign (resid 26 and name  HA) (resid 27 and name  HN)  2.40 0.40 0.00
assign (resid 26 and name  HN) (resid 27 and name  HN)  4.60 2.60 0.00
assign (resid 26 and name  HB1) (resid 27 and name  HN)  4.80 2.80 0.00
assign (resid 26 and name  HB2) (resid 27 and name  HN)  4.80 2.80 0.00
assign (resid 27 and name  HA) (resid 27 and name  HN)  2.90 0.90 0.00
assign (resid 27 and name  HB) (resid 27 and name  HN)   3.60 1.60 0.00
assign (resid 27 and name  HG2#) (resid 27 and name HN)  5.80 3.80 0.00
assign (resid 27 and name  HN) (resid 35 and name  HA)  4.00 2.00 0.00 !
assign (resid 27 and name  HN) (resid 34 and name  HN)  3.20 0.40 0.00 !
assign (resid 27 and name  HA) (resid 28 and name  HN)  2.40 0.40 0.00
assign (resid 27 and name  HN) (resid 28 and name  HN)  4.60 2.60 0.00
assign (resid 27 and name  HB) (resid 28 and name  HN)   4.00 2.00 0.00
assign (resid 27 and name  HG2#) (resid 28 and name HN)  5.80 3.80 0.00
assign (resid 28 and name  HA) (resid 28 and name  HN)  2.90 0.90 0.00
assign (resid 28 and name  HB#) (resid 28 and name  HN)  4.60 2.60 0.00
assign (resid 28 and name  HG#) (resid 28 and name HN)   5.80 3.80 0.00
assign (resid 28 and name  HA) (resid 29 and name  HN)  2.40 0.20 0.00
assign (resid 28 and name  HN) (resid 29 and name  HN)  4.60 2.60 0.00
assign (resid 28 and name  HB#) (resid 29 and name  HN)  4.80 2.80 0.00
assign (resid 28 and name  HG#) (resid 29 and name HN)   5.80 3.80 0.00
assign (resid 29 and name  HA) (resid 29 and name  HN)  2.90 0.90 0.00
assign (resid 29 and name  HB1) (resid 29 and name  HN)  4.00 2.00 0.00
assign (resid 29 and name  HB2) (resid 29 and name HN)   4.00 2.00 0.00
assign (resid 29 and name  HN) (resid 33 and name  HA)  4.40 2.20 0.00 !
assign (resid 29 and name  HN) (resid 32 and name  HN)  3.60 1.60 0.00 !
assign (resid 29 and name  HN) (resid 32 and name  HB1)  4.60 2.40 0.00 !
assign (resid 29 and name  HN) (resid 32 and name  HB2)  4.60 2.40 0.00 !
assign (resid 29 and name  HN) (resid 31 and name  HN)  4.60 2.60 0.00 !
assign (resid 29 and name  HA) (resid 30 and name  HN)  3.20 0.80 0.00
assign (resid 29 and name  HN) (resid 30 and name  HN)   4.60 2.60 0.00
assign (resid 29 and name  HB1) (resid 30 and name HN)   4.40 2.40 0.00
assign (resid 29 and name  HB2) (resid 30 and name HN)   4.40 4.40 0.00
assign (resid 30 and name  HA) (resid 30 and name  HN)   2.90 0.90 0.00
assign (resid 30 and name  HB#) (resid 30 and name HN)   5.40 3.40 0.00
assign (resid 30 and name  HD1#) (resid 30 and name HN)  6.40 4.40 0.00
assign (resid 30 and name  HD2#) (resid 30 and name HN)  6.40 4.40 0.00
assign (resid 30 and name  HA) (resid 31 and name  HN)   3.20 1.20 0.00
assign (resid 30 and name  HN) (resid 31 and name  HN)   3.00 1.00 0.00
assign (resid 30 and name  HB1) (resid 31 and name HN)   4.40 2.40 0.00
assign (resid 30 and name  HB2) (resid 31 and name HN)   4.40 4.40 0.00
assign (resid 31 and name  HA2) (resid 31 and name HN)   3.00 0.80 0.00
assign (resid 31 and name  HA1) (resid 31 and name HN)   3.00 0.90 0.00
assign (resid 31 and name  HN) (resid 32 and name  HN)   2.60 0.60 0.00
assign (resid 31 and name  HA1) (resid 32 and name HN)   3.60 1.60 0.00
assign (resid 31 and name  HA2) (resid 32 and name HN)   3.60 1.60 0.00
assign (resid 32 and name  HA) (resid 32 and name HN)    2.90 0.90 0.00
assign (resid 32 and name  HB1) (resid 32 and name HN)   3.40 1.40 0.00
assign (resid 32 and name  HB2) (resid 32 and name HN)   2.80 0.80 0.00
assign (resid 32 and name  HN) (resid 28 and name HA)    4.80 2.40 0.00 !
assign (resid 32 and name  HN) (resid 30 and name HA)    4.60 0.60 0.00 !
assign (resid 32 and name  HN) (resid 29 and name O)    2.00 0.10 0.00 !
assign (resid 29 and name  HN) (resid 32 and name O)    2.20 0.30 0.00 !
assign (resid 32 and name  HA) (resid 33 and name  HN)   2.40 0.40 0.00
assign (resid 32 and name  HN) (resid 33 and name  HN)   4.60 0.60 0.00
assign (resid 32 and name  HB1) (resid 33 and name HN)   4.00 2.00 0.00
assign (resid 32 and name  HB2) (resid 33 and name HN)   4.00 2.00 0.00
assign (resid 33 and name  HA) (resid 33 and name HN)    2.90 0.90 0.00
assign (resid 33 and name  HB#) (resid 33 and name HN)   4.60 2.60 0.00
assign (resid 33 and name  HA) (resid 34 and name  HN)   2.40 0.40 0.00
assign (resid 33 and name  HN) (resid 34 and name  HN)   4.60 0.60 0.00
assign (resid 33 and name  HB1) (resid 34 and name HN)   5.00 3.00 0.00
assign (resid 33 and name  HB2) (resid 34 and name HN)   5.00 3.00 0.00
assign (resid 34 and name  HA) (resid 34 and name HN)    2.90 0.90 0.00
assign (resid 34 and name  HB#) (resid 34 and name HN)   4.60 2.60 0.00
assign (resid 34 and name  HN) (resid 26  and name HA)   5.00 3.00 0.00 !
assign (resid 34 and name  HN) (resid 28  and name HA)   3.00 0.40 0.00 !
assign (resid 34 and name  HA) (resid 35 and name  HN)   2.40 0.40 0.00
assign (resid 34 and name  HN) (resid 35 and name  HN)   4.60 0.60 0.00
assign (resid 34 and name  HB1) (resid 35 and name HN)   3.20 1.20 0.00
assign (resid 34 and name  HB2) (resid 35 and name HN)   3.60 1.20 0.00
assign (resid 35 and name  HA) (resid 35 and name HN)    2.90 0.90 0.00
assign (resid 35 and name  HB1) (resid 35 and name HN)   2.80 0.80 0.00
assign (resid 35 and name  HB2) (resid 35 and name HN)   2.80 0.80 0.00
assign (resid 35 and name  HN) (resid 54 and name HN)    3.40 1.40 0.00 !
assign (resid 35 and name  HN) (resid 55 and name HA)    3.40 1.40 0.00 !
assign (resid 35 and name  HN) (resid 55 and name HB1)   5.40 3.40 0.00 !
assign (resid 35 and name  HN) (resid 55 and name HB2)   5.40 3.40 0.00 !
assign (resid 35 and name  HA) (resid 36 and name  HN)   2.40 0.40 0.00
assign (resid 35 and name  HN) (resid 36 and name  HN)   4.60 0.60 0.00
assign (resid 35 and name  HB1) (resid 36 and name HN)   4.40 2.40 0.00
assign (resid 35 and name  HB2) (resid 36 and name HN)   4.40 2.40 0.00
assign (resid 36 and name  HA) (resid 36 and name HN)    2.90 0.90 0.00
assign (resid 36 and name  HB1) (resid 36 and name HN)   3.60 1.60 0.00
assign (resid 36 and name  HB2) (resid 36 and name HN)   2.80 1.60 0.00
assign (resid 36 and name  HN) (resid 26 and name HA)    3.00 0.80 0.00 !
assign (resid 36 and name  HA) (resid 37 and name  HN)   2.40 0.40 0.00
assign (resid 36 and name  HN) (resid 37 and name  HN)   4.60 0.60 0.00
assign (resid 36 and name  HB1) (resid 37 and name HN)   4.40 2.40 0.00
assign (resid 36 and name  HB2) (resid 37 and name HN)   4.40 2.40 0.00
assign (resid 37 and name  HA) (resid 37 and name HN)    2.90 0.90 0.00
assign (resid 37 and name  HB) (resid 37 and name HN)    4.00 2.00 0.00
assign (resid 37 and name  HG2#) (resid 37 and name HN)  5.00 3.00 0.00
assign (resid 37 and name  HN) (resid 77 and name HG2#)  6.80 4.80 0.00
assign (resid 37 and name  HN) (resid 53 and name HA)    3.40 1.40 0.00 !
assign (resid 37 and name  HN) (resid 52 and name HN)    3.40 1.40 0.00 !
assign (resid 37 and name  HA) (resid 38 and name  HN)   2.40 0.40 0.00
assign (resid 37 and name  HN) (resid 38 and name  HN)   4.60 0.60 0.00
assign (resid 37 and name  HB) (resid 38 and name HN)    2.80 0.80 0.00
assign (resid 37 and name  HG2#) (resid 38 and name HN)  5.40 3.40 0.00
assign (resid 38 and name  HA) (resid 38 and name HN)    2.90 0.90 0.00
assign (resid 38 and name  HB) (resid 38 and name HN)    3.00 1.00 0.00
assign (resid 38 and name  HG1#) (resid 38 and name HN)  6.40 4.40 0.00
assign (resid 38 and name  HG2#) (resid 38 and name HN)  4.60 2.60 0.00
assign (resid 38 and name  HA) (resid 39 and name HN)    2.40 0.40 0.00
assign (resid 38 and name  HB) (resid 39 and name HN)    4.60 2.60 0.00
assign (resid 38 and name  HG1#) (resid 39 and name HN)  5.40 3.40 0.00
assign (resid 38 and name  HG2#) (resid 39 and name HN)  5.60 3.40 0.00
assign (resid 39 and name  HA) (resid 39 and name HN)    2.90 0.90 0.00
assign (resid 39 and name  HB1) (resid 39 and name HN)   3.40 1.40 0.00
assign (resid 39 and name  HB2) (resid 39 and name HN)   3.40 1.40 0.00
assign (resid 39 and name  HG#) (resid 39 and name HN)   5.80 3.80 0.00
assign (resid 39 and name  HN) (resid 51 and name HA2)   3.60 1.60 0.00 !
assign (resid 39 and name  HN) (resid 51 and name HA1)   4.00 2.00 0.00 !
assign (resid 39 and name  HN) (resid 51 and name HN)    5.20 3.20 0.00 !
assign (resid 39 and name  HN) (resid 50 and name HN)    3.40 1.40 0.00 !
assign (resid 39 and name  HA) (resid 40 and name HD1)   2.60 0.60 0.00
assign (resid 39 and name  HA) (resid 40 and name HD2)   2.60 0.60 0.00
assign (resid 40 and name  HA) (resid 41 and name HN)    2.40 0.40 0.00
assign (resid 40 and name  HB1) (resid 41 and name HN)   3.60 1.60 0.00
assign (resid 40 and name  HB2) (resid 41 and name HN)   3.60 1.60 0.00
assign (resid 41 and name  HA) (resid 41 and name HN)    2.90 0.90 0.00
assign (resid 41 and name  HB1) (resid 41 and name HN)   3.60 1.60 0.00
assign (resid 41 and name  HB2) (resid 41 and name HN)   3.60 1.60 0.00
assign (resid 41 and name  HN) (resid 48 and name HN)   3.20 0.40 0.00 !
assign (resid 41 and name  HN) (resid 49 and name HA)   3.60 1.40 0.00 !
assign (resid 41 and name  HN) (resid 47 and name HA)   4.80 0.80 0.00 !
assign (resid 41 and name  HN) (resid 47 and name HG1#) 5.80 3.80 0.00 !
assign (resid 41 and name  HA) (resid 42 and name HN)    2.40 0.40 0.00
assign (resid 41 and name  HN) (resid 42 and name HN)    4.60 2.60 0.00
assign (resid 41 and name  HB1) (resid 42 and name HN)   2.80 0.80 0.00
assign (resid 41 and name  HB2) (resid 42 and name HN)   2.80 0.80 0.00
assign (resid 42 and name  HA) (resid 42 and name HN)    2.90 0.90 0.00
assign (resid 42 and name  HB1) (resid 42 and name HN)   3.00 1.00 0.00
assign (resid 42 and name  HB2) (resid 42 and name HN)   2.80 0.80 0.00
assign (resid 42 and name  HG) (resid 42 and name HN)   4.60 0.80 0.00
assign (resid 42 and name  HD1#) (resid 42 and name HN)  6.40 4.40 0.00
assign (resid 42 and name  HD2#) (resid 42 and name HN)  6.40 4.40 0.00
assign (resid 42 and name  HA) (resid 43 and name HN)    2.40 0.40 0.00
assign (resid 42 and name  HN) (resid 43 and name HN)    4.60 2.60 0.00
assign (resid 42 and name  HB1) (resid 43 and name HN)   3.60 1.40 0.00
assign (resid 42 and name  HB2) (resid 43 and name HN)   4.40 2.00 0.00
assign (resid 42 and name  HG) (resid 43 and name HN)   2.60 0.60 0.00
assign (resid 42 and name  HD1#) (resid 43 and name HN)  5.80 2.80 0.00
assign (resid 42 and name  HD2#) (resid 43 and name HN)  5.80 2.80 0.00
assign (resid 43 and name  HA) (resid 43 and name HN)    2.90 0.90 0.00
assign (resid 43 and name  HB1) (resid 43 and name HN)   2.80 0.80 0.00
assign (resid 43 and name  HB2) (resid 43 and name HN)   2.80 0.80 0.00
assign (resid 43 and name  HN) (resid 46 and name O)   2.10 0.20 0.00
assign (resid 43 and name  HN) (resid 46 and name HN)    2.80 0.60 0.00 !
assign (resid 43 and name  HN) (resid 46 and name HA)    4.80 0.40 0.00 !
assign (resid 43 and name  HN) (resid 47 and name HA)    3.60 0.60 0.00 !
assign (resid 43 and name  HN) (resid 48 and name HN)    4.80 0.60 0.00 !
assign (resid 43 and name  HN) (resid 45 and name HN)    4.80 1.00 0.00 !
assign (resid 43 and name  HA) (resid 44 and name HN)    2.60 0.40 0.00
assign (resid 43 and name  HN) (resid 44 and name HN)    4.60 2.40 0.00
assign (resid 43 and name  HB1) (resid 44 and name HN)   4.00 2.00 0.00
assign (resid 43 and name  HB2) (resid 44 and name HN)   4.00 2.00 0.00
assign (resid 44 and name  HA) (resid 44 and name HN)    2.60 0.40 0.00
assign (resid 44 and name  HB1) (resid 44 and name HN)   4.00 2.00 0.00
assign (resid 44 and name  HB2) (resid 44 and name HN)   4.00 2.00 0.00
assign (resid 44 and name  HA) (resid 45 and name HN)    3.40 1.00 0.00
assign (resid 44 and name  HN) (resid 45 and name HN)    3.00 0.40 0.00
assign (resid 44 and name  HB1) (resid 45 and name HN)   4.00 2.00 0.00
assign (resid 44 and name  HB2) (resid 45 and name HN)   4.00 2.00 0.00
assign (resid 45 and name  HA) (resid 45 and name HN)    2.80 0.60 0.00
assign (resid 45 and name  HB1) (resid 45 and name HN)   4.80 2.00 0.00
assign (resid 45 and name  HB2) (resid 45 and name HN)   4.00 2.00 0.00
assign (resid 45 and name  HA) (resid 46 and name HN)    3.20 1.20 0.00
assign (resid 45 and name  HN) (resid 46 and name HN)    2.80 1.40 0.00
assign (resid 45 and name  HB1) (resid 46 and name HN)   4.80 1.60 0.00
assign (resid 45 and name  HB2) (resid 46 and name HN)   4.80 1.60 0.00
assign (resid 46 and name  HA) (resid 46 and name HN)    2.90 0.90 0.00
assign (resid 46 and name  HB1) (resid 46 and name HN)   4.40 2.40 0.00
assign (resid 46 and name  HB2) (resid 46 and name HN)   4.40 2.40 0.00
assign (resid 46 and name  HN) (resid 44 and name HN)   4.80 0.60 0.00 !
assign (resid 46 and name  HN) (resid 42 and name HA)   4.80 0.60 0.00 !
assign (resid 46 and name  HN) (resid 43 and name O)    2.60 0.60 0.00 !
assign (resid 46 and name  HA) (resid 47 and name HN)    2.40 0.40 0.00
assign (resid 46 and name  HN) (resid 47 and name HN)    4.60 2.00 0.00
assign (resid 46 and name  HB1) (resid 47 and name HN)   4.40 2.40 0.00
assign (resid 46 and name  HB2) (resid 47 and name HN)   4.40 2.40 0.00
assign (resid 47 and name  HA) (resid 47 and name HN)    2.90 0.90 0.00
assign (resid 47 and name  HB) (resid 47 and name HN)    2.80 0.80 0.00
assign (resid 47 and name  HG1#) (resid 47 and name HN)  6.40 4.40 0.00
assign (resid 47 and name  HG2#) (resid 47 and name HN)  4.60 2.60 0.00
assign (resid 47 and name  HA) (resid 48 and name HN)    2.40 0.40 0.00
assign (resid 47 and name  HN) (resid 48 and name HN)    4.60 2.60 0.00
assign (resid 47 and name  HB) (resid 48 and name HN)    4.80 2.80 0.00
assign (resid 47 and name  HG1#) (resid 48 and name HN)  5.40 3.40 0.00
assign (resid 47 and name  HG2#) (resid 48 and name HN)  6.80 4.80 0.00
assign (resid 48 and name  HA) (resid 48 and name HN)    2.90 0.90 0.00
assign (resid 48 and name  HB1) (resid 48 and name HN)   4.00 2.00 0.00
assign (resid 48 and name  HB2) (resid 48 and name HN)   4.00 2.00 0.00
assign (resid 48 and name  HN) (resid 42 and name HA)    3.20 0.40 0.00 !
assign (resid 48 and name  HA) (resid 49 and name HN)    2.40 0.40 0.00
assign (resid 48 and name  HN) (resid 49 and name HN)    4.60 2.60 0.00
assign (resid 48 and name  HB1) (resid 49 and name HN)   3.60 1.60 0.00
assign (resid 48 and name  HB2) (resid 49 and name HN)   4.40 2.40 0.00
assign (resid 49 and name  HA) (resid 49 and name HN)    2.90 0.90 0.00
assign (resid 49 and name  HB1) (resid 49 and name HN)   3.40 1.40 0.00
assign (resid 49 and name  HB2) (resid 49 and name HN)   3.40 1.40 0.00
assign (resid 49 and name  HN) (resid 68 and name HA)    4.20 2.20 0.00 !
assign (resid 49 and name  HN) (resid 67 and name HN)    4.40 1.80 0.00 !
assign (resid 49 and name  HA) (resid 50 and name HN)    2.40 0.40 0.00
assign (resid 49 and name  HN) (resid 50 and name HN)    4.60 2.60 0.00
assign (resid 49 and name  HB1) (resid 50 and name HN)   4.40 2.40 0.00
assign (resid 49 and name  HB2) (resid 50 and name HN)   4.40 2.40 0.00
assign (resid 50 and name  HA) (resid 50 and name HN)    2.90 0.90 0.00
assign (resid 50 and name  HB1) (resid 50 and name HN)   3.40 1.40 0.00
assign (resid 50 and name  HB2) (resid 50 and name HN)   3.40 1.40 0.00
assign (resid 50 and name  HN) (resid 40 and name HA)    3.40 1.40 0.00 !
assign (resid 50 and name  HA) (resid 51 and name HN)    2.40 0.40 0.00
assign (resid 50 and name  HB1) (resid 51 and name HN)   4.00 2.00 0.00
assign (resid 50 and name  HB2) (resid 51 and name HN)   4.00 2.00 0.00
assign (resid 51 and name  HA1) (resid 51 and name HN)   2.60 0.90 0.00
assign (resid 51 and name  HA2) (resid 51 and name HN)   2.90 0.40 0.00
assign (resid 51 and name  HN) (resid 65 and name HN)    3.60 1.40 0.00
assign (resid 51 and name  HN) (resid 66 and name HA)    3.60 1.40 0.00
assign (resid 51 and name  HN) (resid 64 and name HA)    5.20 3.20 0.00
assign (resid 51 and name  HN) (resid 77 and name HG2#)  7.00 5.00 0.00 !
assign (resid 51 and name  HN) (resid 73 and name HG2#)  4.80 2.80 0.00 !
assign (resid 51 and name  HA1) (resid 52 and name HN)   3.20 0.40 0.00
assign (resid 51 and name  HA2) (resid 52 and name HN)   2.40 0.40 0.00
assign (resid 51 and name  HN) (resid 52 and name HN)    4.60 2.60 0.00
assign (resid 52 and name  HA) (resid 52 and name HN)    2.90 0.90 0.00
assign (resid 52 and name  HB1) (resid 52 and name HN)   3.40 1.40 0.00
assign (resid 52 and name  HB2) (resid 52 and name HN)   3.40 1.40 0.00
assign (resid 52 and name  HN) (resid 38 and name HA)    3.40 1.40 0.00 !
assign (resid 52 and name  HN) (resid 53 and name HN)    4.60 2.60 0.00
assign (resid 52 and name  HA) (resid 53 and name HN)    2.40 0.40 0.00
assign (resid 53 and name  HA) (resid 53 and name HN)    2.90 0.90 0.00
assign (resid 53 and name  HB1) (resid 53 and name HN)   3.60 1.40 0.00
assign (resid 53 and name  HB2) (resid 53 and name HN)   4.40 2.40 0.00
assign (resid 53 and name  HN) (resid 63 and name HN)    3.40 1.40 0.00 !
assign (resid 53 and name  HN) (resid 64 and name HA)    3.40 1.40 0.00 !
assign (resid 53 and name  HN) (resid 64 and name HN)    5.20 3.20 0.00 !
assign (resid 53 and name  HA) (resid 54 and name HN)    2.90 0.90 0.00
assign (resid 53 and name  HN) (resid 54 and name HN)    4.60 2.60 0.00
assign (resid 53 and name  HB1) (resid 54 and name HN)   4.00 2.00 0.00
assign (resid 53 and name  HB2) (resid 54 and name HN)   3.40 1.40 0.00
assign (resid 54 and name  HA) (resid 54 and name HN)    2.90 0.90 0.00
assign (resid 54 and name  HB1) (resid 54 and name HN)   4.60 2.60 0.00
assign (resid 54 and name  HB2) (resid 54 and name HN)   4.60 2.60 0.00
assign (resid 54 and name  HN) (resid 36 and name HA)    3.40 1.40 0.00 !
assign (resid 54 and name  HN) (resid 34 and name HB#)   6.00 4.00 0.00 !
assign (resid 54 and name  HN) (resid 35 and name HB1)   4.80 3.00 0.00 !
assign (resid 54 and name  HN) (resid 35 and name HB2)   4.80 3.00 0.00 !
assign (resid 54 and name  HA) (resid 55 and name HN)    2.90 0.90 0.00
assign (resid 54 and name  HN) (resid 55 and name HN)    4.60 2.60 0.00
assign (resid 54 and name  HB1) (resid 55 and name HN)   4.80 2.80 0.00
assign (resid 54 and name  HB2) (resid 55 and name HN)   4.80 2.80 0.00
assign (resid 55 and name  HA) (resid 55 and name HN)    2.90 0.90 0.00
assign (resid 55 and name  HB1) (resid 55 and name HN)   4.60 2.60 0.00
assign (resid 55 and name  HB2) (resid 55 and name HN)   4.60 2.60 0.00
assign (resid 55 and name  HN) (resid 61 and name HN)    4.40 2.40 0.00 !
assign (resid 55 and name  HN) (resid 62 and name HA)    4.80 2.80 0.00 !
assign (resid 55 and name  HA) (resid 56 and name HD1)   2.80 0.80 0.00
assign (resid 55 and name  HA) (resid 56 and name HD2)   2.80 0.80 0.00
assign (resid 56 and name  HA) (resid 57 and name HN)    2.40 0.40 0.00
assign (resid 56 and name  HB1) (resid 57 and name HN)   4.60 2.60 0.00
assign (resid 56 and name  HB2) (resid 57 and name HN)   4.60 2.60 0.00
assign (resid 57 and name  HA1) (resid 57 and name HN)   2.80 0.80 0.00
assign (resid 57 and name  HA2) (resid 57 and name HN)   2.90 0.90 0.00
assign (resid 57 and name  HA1) (resid 58 and name HN)   3.60 1.60 0.00
assign (resid 57 and name  HA2) (resid 58 and name HN)   3.60 1.60 0.00
assign (resid 57 and name  HN) (resid 58 and name HN)    2.60 0.60 0.00
assign (resid 58 and name  HA) (resid 58 and name HN)    2.70 0.70 0.00
assign (resid 58 and name  HB1) (resid 58 and name HN)   2.80 0.80 0.00
assign (resid 58 and name  HB2) (resid 58 and name HN)   2.80 0.80 0.00
assign (resid 58 and name  HN) (resid 56 and name HA)    4.40 0.40 0.00
assign (resid 58 and name  HA) (resid 59 and name HN)    3.60 1.60 0.00
assign (resid 58 and name  HN) (resid 59 and name HN)    2.80 0.80 0.00
assign (resid 58 and name  HB1) (resid 59 and name HN)   3.40 1.40 0.00
assign (resid 58 and name  HB2) (resid 59 and name HN)   3.40 1.40 0.00
assign (resid 59 and name  HA) (resid 59 and name HN)    2.80 0.80 0.00
assign (resid 59 and name  HB) (resid 59 and name HN)    4.80 1.40 0.00
assign (resid 59 and name HG2#) (resid 59 and name HN)   4.40 3.40 0.00
assign (resid 59 and name  HA) (resid 60 and name HN)    3.40 1.40 0.00
assign (resid 59 and name  HN) (resid 60 and name HN)    4.00 2.00 0.00
assign (resid 59 and name  HB) (resid 60 and name HN)    4.80 2.40 0.00
assign (resid 59 and name HG2#) (resid 60 and name HN)   5.40 2.40 0.00
assign (resid 60 and name  HA) (resid 60 and name HN)    2.90 0.90 0.00
assign (resid 60 and name  HB#) (resid 60 and name HN)   4.40 2.40 0.00
assign (resid 60 and name  HA) (resid 61 and name HN)    3.50 1.20 0.00
assign (resid 60 and name  HB#) (resid 61 and name HN)   5.80 3.80 0.00
assign (resid 60 and name  HN) (resid 61 and name HN)    3.40 1.00 0.00
assign (resid 61 and name  HA) (resid 61 and name HN)    2.90 0.90 0.00
assign (resid 61 and name  HB) (resid 61 and name HN)    4.40 2.40 0.00
assign (resid 61 and name  HG2#) (resid 61 and name HN)  5.80 3.80 0.00
assign (resid 61 and name  HN) (resid 59 and name HG2#)  4.80 1.80 0.00
assign (resid 61 and name  HN) (resid 90 and name HD1#)  6.80 2.80 0.00
assign (resid 61 and name  HA) (resid 62 and name HN)    2.40 0.40 0.00
assign (resid 61 and name  HN) (resid 62 and name HN)    4.60 2.60 0.00
assign (resid 61 and name  HB) (resid 62 and name HN)    4.80 2.80 0.00
assign (resid 61 and name  HG2#) (resid 62 and name HN)  5.40 3.40 0.00
assign (resid 62 and name  HA) (resid 62 and name HN)    2.90 0.90 0.00
assign (resid 62 and name  HB1) (resid 62 and name HN)   3.60 1.60 0.00
assign (resid 62 and name  HB2) (resid 62 and name HN)   3.60 1.60 0.00
assign (resid 62 and name  HA) (resid 63 and name HN)    2.40 0.40 0.00
assign (resid 62 and name  HN) (resid 63 and name HN)    4.60 2.60 0.00
assign (resid 62 and name  HB1) (resid 63 and name HN)   3.40 1.40 0.00
assign (resid 62 and name  HB2) (resid 63 and name HN)   3.40 1.40 0.00
assign (resid 63 and name  HA1) (resid 63 and name HN)   2.80 0.80 0.00
assign (resid 63 and name  HA2) (resid 63 and name HN)   2.90 0.90 0.00
assign (resid 63 and name  HN) (resid 81 and name HD#)   5.00 3.00 0.00 !
assign (resid 63 and name  HN) (resid 52 and name HA)    5.20 3.20 0.00 !
assign (resid 63 and name  HN) (resid 77 and name HG2#)  6.80 4.80 0.00 !
assign (resid 63 and name  HA2) (resid 64 and name HN)   2.40 0.40 0.00
assign (resid 63 and name  HA1) (resid 64 and name HN)   3.00 0.80 0.00
assign (resid 64 and name  HA) (resid 64 and name HN)    2.90 0.90 0.00
assign (resid 64 and name  HB1) (resid 64 and name HN)   3.60 1.60 0.00
assign (resid 64 and name  HB2) (resid 64 and name HN)   3.60 1.60 0.00
assign (resid 64 and name  HG#) (resid 64 and name HN)   5.80 3.80 0.00
assign (resid 64 and name  HN) (resid 81 and name HN)    5.20 2.80 0.00 !
assign (resid 64 and name  HN) (resid 80 and name HN)    5.80 2.80 0.00 !
assign (resid 64 and name  HN) (resid 81 and name HB2)   5.20 3.20 0.00 !
assign (resid 64 and name  HN) (resid 80 and name HB1)   3.40 1.00 0.00 !
assign (resid 64 and name  HN) (resid 80 and name HB2)   3.40 1.00 0.00 !
assign (resid 64 and name  HN) (resid 77 and name HG2#)  6.40 4.40 0.00 !
assign (resid 64 and name  HA) (resid 65 and name HN)    2.40 0.40 0.00
assign (resid 64 and name  HN) (resid 65 and name HN)    4.60 2.60 0.00
assign (resid 64 and name  HB1) (resid 65 and name HN)   4.00 2.00 0.00
assign (resid 64 and name  HB2) (resid 65 and name HN)   3.40 1.40 0.00
assign (resid 65 and name  HA) (resid 65 and name HN)    2.90 0.90 0.00
assign (resid 65 and name  HB#) (resid 65 and name HN)   4.40 2.40 0.00
assign (resid 65 and name  HN) (resid 50 and name HA)    5.20 3.20 0.00 !
assign (resid 65 and name  HN) (resid 52 and name HA)    3.40 2.40 0.00 !
assign (resid 65 and name  HA) (resid 66 and name HN)    2.40 0.40 0.00
assign (resid 65 and name  HN) (resid 66 and name HN)    4.60 2.60 0.00
assign (resid 65 and name  HB#) (resid 66 and name HN)   4.80 2.80 0.00
assign (resid 66 and name  HA) (resid 66 and name HN)    2.90 0.90 0.00
assign (resid 66 and name  HB1) (resid 66 and name HN)   4.40 2.40 0.00
assign (resid 66 and name  HB2) (resid 66 and name HN)   4.40 2.40 0.00
assign (resid 66 and name  HA) (resid 67 and name HN)    2.40 0.40 0.00
assign (resid 66 and name  HN) (resid 67 and name HN)    4.60 2.60 0.00
assign (resid 66 and name  HB1) (resid 67 and name HN)   3.60 1.60 0.00
assign (resid 66 and name  HB2) (resid 67 and name HN)   3.60 1.60 0.00
assign (resid 67 and name  HA) (resid 67 and name HN)    2.90 0.90 0.00
assign (resid 67 and name  HB) (resid 67 and name HN)    3.40 1.40 0.00
assign (resid 67 and name  HG2#) (resid 67 and name HN)  4.80 2.80 0.00
assign (resid 67 and name  HN) (resid 50 and name HA)    4.40 2.40 0.00 !
assign (resid 67 and name  HN) (resid 49 and name HN)    4.60 2.60 0.00 !
assign (resid 67 and name  HA) (resid 68 and name HN)    2.60 0.60 0.00
assign (resid 67 and name  HN) (resid 68 and name HN)    4.40 2.40 0.00
assign (resid 67 and name  HB) (resid 68 and name HN)    4.40 2.40 0.00
assign (resid 67 and name  HG2#) (resid 68 and name HN)  5.80 3.80 0.00
assign (resid 68 and name  HA) (resid 68 and name HN)    2.90 0.90 0.00
assign (resid 68 and name  HB1) (resid 68 and name HN)   4.40 2.40 0.00
assign (resid 68 and name  HB2) (resid 68 and name HN)   4.40 2.40 0.00
assign (resid 68 and name  HA) (resid 69 and name HN)    3.50 1.50 0.00
assign (resid 68 and name  HN) (resid 69 and name HN)    3.00 0.80 0.00
assign (resid 68 and name  HB1) (resid 69 and name HN)   3.60 1.60 0.00
assign (resid 68 and name  HB2) (resid 69 and name HN)   3.60 1.60 0.00
assign (resid 69 and name  HA) (resid 69 and name HN)    2.80 0.80 0.00
assign (resid 69 and name  HB1) (resid 69 and name HN)   4.40 2.40 0.00
assign (resid 69 and name  HB2) (resid 69 and name HN)   4.40 2.40 0.00
assign (resid 69 and name  HN) (resid 67 and name  HA)   4.60 0.60 0.00 !!
assign (resid 69 and name  HN) (resid 67 and name  HG2#) 5.00 1.60 0.00 !!
assign (resid 69 and name  HA) (resid 70 and name HN)    2.40 0.40 0.00
assign (resid 69 and name  HN) (resid 70 and name HN)    4.60 2.60 0.00
assign (resid 69 and name  HB1) (resid 70 and name HN)   3.60 1.60 0.00
assign (resid 69 and name  HB2) (resid 70 and name HN)   3.60 1.60 0.00
assign (resid 70 and name  HA) (resid 70 and name HN)    2.80 0.80 0.00
assign (resid 70 and name  HB1) (resid 70 and name HN)   4.40 2.40 0.00
assign (resid 70 and name  HB2) (resid 70 and name HN)   4.40 2.40 0.00
assign (resid 70 and name  HG#) (resid 70 and name HN)   5.40 3.40 0.00
assign (resid 70 and name  HA) (resid 71 and name HN)    3.60 1.60 0.00
assign (resid 70 and name  HN) (resid 71 and name HN)    3.00 0.40 0.00
assign (resid 70 and name  HB1) (resid 71 and name HN)   4.00 2.00 0.00
assign (resid 70 and name  HB2) (resid 71 and name HN)   4.00 2.00 0.00
assign (resid 71 and name  HA) (resid 71 and name HN)    2.80 0.80 0.00
assign (resid 71 and name  HB1) (resid 71 and name HN)   4.40 2.40 0.00
assign (resid 71 and name  HB2) (resid 71 and name HN)   4.40 2.40 0.00
assign (resid 71 and name  HN) (resid 69 and name HA)    4.80 1.00 0.00
assign (resid 71 and name  HA) (resid 72 and name HN)    3.50 1.50 0.00
assign (resid 71 and name  HN) (resid 72 and name HN)    3.00 1.00 0.00
assign (resid 71 and name  HB1) (resid 72 and name HN)   4.00 2.00 0.00
assign (resid 71 and name  HB2) (resid 72 and name HN)   4.00 2.00 0.00
assign (resid 72 and name  HA1) (resid 72 and name HN)   2.40 0.80 0.00
assign (resid 72 and name  HA2) (resid 72 and name HN)   3.00 0.80 0.00
assign (resid 72 and name  HN) (resid 69 and name HA)    4.40 0.80 0.00
assign (resid 72 and name  HA1) (resid 73 and name HN)   3.00 1.50 0.00
assign (resid 72 and name  HA2) (resid 73 and name HN)   3.60 1.50 0.00
assign (resid 72 and name  HN) (resid 73 and name HN)    3.00 1.00 0.00
assign (resid 73 and name  HA) (resid 73 and name HN)    2.80 0.80 0.00
assign (resid 73 and name  HB) (resid 73 and name HN)    2.60 0.60 0.00
assign (resid 73 and name  HG2#) (resid 73 and name HN)  4.40 2.40 0.00
assign (resid 73 and name  HG1#) (resid 73 and name HN)  5.80 3.80 0.00
assign (resid 73 and name  HN) (resid 71 and name HN)    4.80 2.60 0.00
assign (resid 73 and name  HN) (resid 71 and name HA)    4.60 2.40 0.00
assign (resid 73 and name  HA) (resid 74 and name HN)    3.50 1.50 0.00
assign (resid 73 and name  HN) (resid 74 and name HN)    2.80 0.80 0.00
assign (resid 73 and name  HB) (resid 74 and name HN)    3.60 0.60 0.00
assign (resid 73 and name  HG2#) (resid 74 and name HN)  6.40 4.40 0.00
assign (resid 73 and name  HG1#) (resid 74 and name HN)  6.40 4.40 0.00
assign (resid 74 and name  HA) (resid 74 and name HN)    2.80 0.80 0.00
assign (resid 74 and name  HB#) (resid 74 and name HN)   4.40 2.40 0.00
assign (resid 74 and name  HN) (resid 72 and name HN)    4.40 2.20 0.00
assign (resid 74 and name  HN) (resid 72 and name HA2)    4.40 2.00 0.00
assign (resid 74 and name  HN) (resid 71 and name HA)    3.60 1.50 0.00
assign (resid 74 and name  HN) (resid 70 and name HA)    5.40 1.50 0.00
assign (resid 74 and name  HA) (resid 75 and name HN)    3.50 1.50 0.00
assign (resid 74 and name  HN) (resid 75 and name HN)    2.80 0.80 0.00
assign (resid 74 and name  HB#) (resid 75 and name HN)   5.00 3.00 0.00
assign (resid 75 and name  HA1) (resid 75 and name HN)   2.90 0.80 0.00
assign (resid 75 and name  HA2) (resid 75 and name HN)   2.70 0.70 0.00
assign (resid 75 and name  HN) (resid 73 and name HN)    4.60 2.20 0.00 !
assign (resid 75 and name  HN) (resid 73 and name HA)    4.60 2.40 0.00 !
assign (resid 75 and name  HN) (resid 72 and name HA2)   3.50 1.50 0.00 !
assign (resid 75 and name  HA1) (resid 76 and name  HN)  3.60 1.60 0.00
assign (resid 75 and name  HA2) (resid 76 and name  HN)  3.60 1.60 0.00
assign (resid 75 and name  HN) (resid 76 and name  HN)  2.80 0.80 0.00
assign (resid 76 and name  HA) (resid 76 and name  HN)  2.70 0.70 0.00  
assign (resid 76 and name  HB1) (resid 76 and name  HN)  4.00 2.00 0.00
assign (resid 76 and name  HB2) (resid 76 and name  HN)  4.00 2.00 0.00
assign (resid 76  and name HN) (resid 72  and name  HA2) 4.80 2.20 0.00
assign (resid 76  and name HN) (resid 73  and name  HA)  3.40 1.40 0.00 
assign (resid 76  and name HN) (resid 74  and name  HA)  4.40 2.40 0.00
assign (resid 76  and name HN) (resid 74  and name  HN)  4.20 2.20 0.00 
assign (resid 76 and name  HA) (resid 77 and name  HN)  3.60 1.60 0.00
assign (resid 76 and name  HN) (resid 77 and name  HN)  2.80 0.80 0.00
assign (resid 76 and name  HB1) (resid 77 and name  HN)  4.00 2.00 0.00
assign (resid 76 and name  HB2) (resid 77 and name  HN)  4.00 2.00 0.00
assign (resid 77 and name  HA) (resid 77 and name  HN)  2.70 0.70 0.00  
assign (resid 77 and name  HB) (resid 77 and name  HN)   3.20 1.20 0.00
assign (resid 77 and name  HG2#) (resid 77 and name HN)  5.40 3.40 0.00
assign (resid 77  and name HN) (resid 73  and name  HA)  4.20 2.20 0.00
assign (resid 77  and name HN) (resid 74 and name  HA)   3.40 1.40 0.00 
assign (resid 77  and name HN) (resid 75  and name  HA2) 4.40 2.40 0.00
assign (resid 77  and name HN) (resid 75  and name  HN)  4.20 2.20 0.00 
assign (resid 77  and name HN) (resid 36 and name  HD#)  7.00 4.80 0.00 !
assign (resid 77  and name HN) (resid 36 and name  HE#)  6.40 4.40 0.00 !
assign (resid 77 and name  HA) (resid 78 and name  HN)  3.60 1.60 0.00
assign (resid 77 and name  HN) (resid 78 and name  HN)  2.80 0.80 0.00
assign (resid 77 and name  HB) (resid 78 and name  HN)   3.60 1.60 0.00
assign (resid 77 and name  HG2#) (resid 78 and name HN)  4.40 2.40 0.00
assign (resid 78 and name  HA) (resid 78 and name  HN)  2.70 0.70 0.00  
assign (resid 78 and name  HB#) (resid 78 and name  HN)  4.80 2.80 0.00
assign (resid 78  and name HN) (resid 74  and name  HA)  4.20 2.20 0.00 !
assign (resid 78  and name HN) (resid 75 and name  HA2)  3.60 1.60 0.00 !
assign (resid 78  and name HN) (resid 76  and name  HA)  4.40 2.40 0.00 !
assign (resid 78  and name HN) (resid 76  and name  HN)  4.20 2.20 0.00 !
assign (resid 78 and name  HA) (resid 79 and name  HN)  3.60 1.60 0.00
assign (resid 78 and name  HN) (resid 79 and name  HN)  2.80 0.80 0.00
assign (resid 78 and name  HB#) (resid 79 and name  HN)  4.60 2.60 0.00
assign (resid 79 and name  HA) (resid 79 and name HN)    2.80 0.80 0.00
assign (resid 79 and name  HB1) (resid 79 and name HN)   2.80 0.80 0.00
assign (resid 79 and name  HB2) (resid 79 and name HN)   2.80 0.80 0.00
assign (resid 79  and name HN) (resid 75  and name  HA2) 4.80 2.20 0.00 !
assign (resid 79  and name HN) (resid 76 and name  HA)   3.40 1.40 0.00 !
assign (resid 79  and name HN) (resid 77  and name  HA)  4.40 2.40 0.00 !
assign (resid 79  and name HN) (resid 77  and name  HN)  4.20 2.20 0.00 !
assign (resid 79 and name  HA) (resid 80 and name  HN)  3.60 1.60 0.00
assign (resid 79 and name  HN) (resid 80 and name  HN)  2.80 0.80 0.00
assign (resid 79 and name  HB1) (resid 80 and name  HN)  3.60 1.60 0.00
assign (resid 79 and name  HB2) (resid 80 and name  HN)  3.60 1.60 0.00
assign (resid 80 and name  HA) (resid 80 and name HN)    2.80 0.80 0.00
assign (resid 80 and name  HB1) (resid 80 and name HN)   4.00 2.00 0.00
assign (resid 80 and name  HB2) (resid 80 and name HN)   4.00 2.00 0.00
assign (resid 80  and name HN) (resid 76  and name  HA)  4.20 2.20 0.00 !
assign (resid 80  and name HN) (resid 77 and name  HA)   3.60 1.40 0.00 !
assign (resid 80  and name HN) (resid 78  and name  HA)  4.40 2.40 0.00 !
assign (resid 80  and name HN) (resid 78  and name  HN)  4.20 2.20 0.00 !
assign (resid 80 and name  HA) (resid 81 and name  HN)  3.60 1.60 0.00
assign (resid 80 and name  HN) (resid 81 and name  HN)  2.80 0.80 0.00
assign (resid 80 and name  HB1) (resid 81 and name  HN)  3.60 1.60 0.00
assign (resid 80 and name  HB2) (resid 81 and name  HN)  3.60 1.60 0.00
assign (resid 81 and name  HA) (resid 81 and name HN)    2.80 0.80 0.00
assign (resid 81 and name  HB1) (resid 81 and name HN)   3.00 1.00 0.00
assign (resid 81 and name  HB2) (resid 81 and name HN)   3.00 1.00 0.00
assign (resid 81  and name HN) (resid 77  and name  HA)  4.20 2.20 0.00 !
assign (resid 81  and name HN) (resid 78 and name  HA)   3.40 1.40 0.00 !
assign (resid 81  and name HN) (resid 79  and name  HA)  4.40 2.40 0.00 !
assign (resid 81  and name HN) (resid 79  and name  HN)  4.20 2.20 0.00 !
assign (resid 81 and name  HA) (resid 82 and name  HN)  3.60 1.60 0.00
assign (resid 81 and name  HN) (resid 82 and name  HN)  2.80 0.80 0.00
assign (resid 81 and name  HB1) (resid 82 and name  HN)  3.60 1.60 0.00
assign (resid 81 and name  HB2) (resid 82 and name  HN)  4.00 2.00 0.00
assign (resid 82 and name  HA) (resid 82 and name HN)    2.80 0.80 0.00
assign (resid 82 and name  HB) (resid 82 and name HN)    2.80 0.80 0.00
assign (resid 82 and name  HG1#) (resid 82 and name HN)  6.00 4.00 0.00
assign (resid 82 and name  HG2#) (resid 82 and name HN)  4.80 2.80 0.00
assign (resid 82  and name HN) (resid 78  and name  HA)  4.20 2.20 0.00 !
assign (resid 82  and name HN) (resid 79 and name  HA)   3.40 1.40 0.00 !
assign (resid 82  and name HN) (resid 80  and name  HA)  4.40 2.40 0.00 !
assign (resid 82  and name HN) (resid 80  and name  HN)  4.20 2.20 0.00 !
assign (resid 82 and name  HA) (resid 83 and name  HN)  3.60 1.60 0.00
assign (resid 82 and name  HN) (resid 83 and name  HN)  2.80 0.80 0.00
assign (resid 82 and name  HB) (resid 83 and name  HN)   3.60 1.60 0.00
assign (resid 82 and name  HG1#) (resid 83 and name HN)  5.40 3.40 0.00
assign (resid 82 and name  HG2#) (resid 83 and name HN)  5.40 3.40 0.00
assign (resid 83 and name  HA) (resid 83 and name  HN)  3.60 1.60 0.00
assign (resid 83 and name  HB1) (resid 83 and name  HN)  3.00 1.00 0.00
assign (resid 83 and name  HB2) (resid 83 and name  HN)  3.60 1.60 0.00
assign (resid 83  and name HN) (resid 79  and name  HA)  4.20 2.20 0.00 !
assign (resid 83  and name HN) (resid 80 and name  HA)   3.40 1.40 0.00 !
assign (resid 83  and name HN) (resid 81  and name  HA)  4.40 2.40 0.00 !
assign (resid 83  and name HN) (resid 81  and name  HN)  4.20 2.20 0.00 !
assign (resid 83 and name  HA) (resid 84 and name  HN)  3.60 1.60 0.00
assign (resid 83 and name  HN) (resid 84 and name  HN)  2.80 0.80 0.00
assign (resid 83 and name  HB1) (resid 84 and name  HN)  3.60 1.60 0.00
assign (resid 83 and name  HB2) (resid 84 and name  HN)  3.60 1.60 0.00
assign (resid 84 and name  HA) (resid 84 and name  HN)  2.80 0.80 0.00
assign (resid 84 and name  HB1) (resid 84 and name  HN)  3.60 1.60 0.00
assign (resid 84 and name  HB2) (resid 84 and name  HN)  3.60 1.60 0.00
assign (resid 84  and name HN) (resid 61  and name  HG2#) 6.40 3.40 0.00 !
assign (resid 84  and name HN) (resid 80  and name  HA)  4.20 2.20 0.00 !
assign (resid 84  and name HN) (resid 81 and name  HA)   3.40 1.40 0.00 !
assign (resid 84  and name HN) (resid 82  and name  HA)  4.40 2.40 0.00 !
assign (resid 84  and name HN) (resid 82  and name  HN)  4.20 2.20 0.00 !
assign (resid 84 and name  HA) (resid 85 and name  HN)  3.60 1.60 0.00
assign (resid 84 and name  HN) (resid 85 and name  HN)  2.80 0.80 0.00
assign (resid 84 and name  HB1) (resid 85 and name  HN)  3.60 1.60 0.00
assign (resid 84 and name  HB2) (resid 85 and name  HN)  3.60 1.60 0.00
assign (resid 85 and name  HA) (resid 85 and name  HN)  2.80 0.80 0.00
assign (resid 85 and name  HB#) (resid 85 and name  HN)  4.40 2.40 0.00
assign (resid 85  and name HN) (resid 61  and name  HD1#) 5.40 2.60 0.00 !
assign (resid 85  and name HN) (resid 81  and name  HA)  4.20 2.20 0.00 !
assign (resid 85  and name HN) (resid 82 and name  HA)   3.40 1.40 0.00 !
assign (resid 85  and name HN) (resid 83  and name  HA)  4.40 2.40 0.00 !
assign (resid 85  and name HN) (resid 83  and name  HN)  4.20 2.20 0.00 !
assign (resid 85  and name HN) (resid 90  and name HD1#) 6.80 4.80 0.00 !!
assign (resid 85 and name  HA) (resid 86 and name  HN)  3.60 1.60 0.00
assign (resid 85 and name  HN) (resid 86 and name  HN)  2.80 0.80 0.00
assign (resid 85 and name  HB#) (resid 86 and name  HN)  4.60 2.60 0.00
assign (resid 86 and name  HA) (resid 86 and name  HN)  2.80 0.80 0.00
assign (resid 86 and name  HB1) (resid 86 and name  HN)  3.60 1.60 0.00
assign (resid 86 and name  HB2) (resid 86 and name  HN)  3.60 1.60 0.00
assign (resid 86  and name HN) (resid 91  and name HD1#) 6.80 2.80 0.00 !
assign (resid 86  and name HN) (resid 91  and name HG2#) 6.80 2.80 0.00 !
assign (resid 86  and name HN) (resid 82  and name  HA)  4.20 2.20 0.00 !
assign (resid 86  and name HN) (resid 83 and name  HA)   3.40 1.40 0.00 !
assign (resid 86  and name HN) (resid 84  and name  HA)  4.40 2.40 0.00 !
assign (resid 86  and name HN) (resid 84  and name  HN)  4.20 2.20 0.00 !
assign (resid 86 and name  HA) (resid 87 and name  HN)  3.60 1.60 0.00
assign (resid 86 and name  HN) (resid 87 and name  HN)  2.80 0.80 0.00
assign (resid 86 and name  HB1) (resid 87 and name  HN)  3.60 1.60 0.00
assign (resid 86 and name  HB2) (resid 87 and name  HN)  3.60 1.60 0.00
assign (resid 87 and name  HA) (resid 87 and name  HN)  2.80 0.80 0.00
assign (resid 87 and name  HB1) (resid 87 and name  HN)  3.60 1.60 0.00
assign (resid 87 and name  HB2) (resid 87 and name  HN)  3.60 1.60 0.00
assign (resid 87 and name  HG#) (resid 87 and name  HN)  5.40 3.40 0.00
assign (resid 87  and name HN) (resid 83  and name  HA)  4.20 2.20 0.00 !
assign (resid 87  and name HN) (resid 84 and name  HA)   3.40 1.40 0.00 !
assign (resid 87  and name HN) (resid 85  and name  HA)  4.40 2.40 0.00 !
assign (resid 87  and name HN) (resid 85  and name  HN)  4.20 2.20 0.00 !
assign (resid 87 and name  HA) (resid 88 and name  HN)  3.60 1.60 0.00
assign (resid 87 and name  HN) (resid 88 and name  HN)  2.80 0.80 0.00
assign (resid 87 and name  HB1) (resid 88 and name  HN)  4.00 2.00 0.00
assign (resid 87 and name  HB2) (resid 88 and name  HN)  3.60 1.60 0.00
assign (resid 88 and name  HA) (resid 88 and name  HN)  2.80 0.80 0.00
assign (resid 88 and name  HB1) (resid 88 and name  HN)  3.60 1.60 0.00
assign (resid 88 and name  HB2) (resid 88 and name  HN)  3.60 1.60 0.00
assign (resid 88 and name  HG#) (resid 88 and name  HN)  5.40 3.40 0.00
assign (resid 88  and name HN) (resid 85 and name  HA)  3.80 1.40 0.00 !
assign (resid 88  and name HN) (resid 86  and name  HA) 4.40 2.40 0.00 !
assign (resid 88  and name HN) (resid 86  and name  HN) 4.20 2.20 0.00 !
assign (resid 88 and name  HA) (resid 89 and name  HN)  3.60 1.60 0.00
assign (resid 88 and name  HN) (resid 89 and name  HN)  2.80 0.60 0.00
assign (resid 88 and name  HB1) (resid 89 and name  HN)  4.00 2.00 0.00
assign (resid 88 and name  HB2) (resid 89 and name  HN)  3.60 1.60 0.00
assign (resid 89 and name  HA1) (resid 89 and name  HN)  2.60 0.60 0.00
assign (resid 89 and name  HA2) (resid 89 and name  HN)  2.90 0.90 0.00
assign (resid 89  and name HN) (resid 87  and name  HN) 5.00 0.40 0.00 !
assign (resid 89 and name  HA1) (resid 90 and name  HN)  3.60 1.60 0.00
assign (resid 89 and name  HA2) (resid 90 and name  HN)  3.60 1.60 0.00
assign (resid 89 and name  HN) (resid 90 and name  HN)  2.80 0.60 0.00
assign (resid 90 and name  HA) (resid 90 and name  HN)  2.80 0.80 0.00
assign (resid 90 and name  HB1) (resid 90 and name  HN)  3.60 1.60 0.00
assign (resid 90 and name  HB2) (resid 90 and name  HN)  3.60 1.60 0.00
assign (resid 90 and name  HD1#) (resid 90 and name HN)  6.00 4.00 0.00
assign (resid 90 and name  HD2#) (resid 90 and name HN)  6.00 4.00 0.00
assign (resid 90 and name  HN) (resid 85 and name HA)    4.00 0.80 0.00 !!
assign (resid 90 and name  HN) (resid 85 and name O)    2.40 0.40 0.00 !!
assign (resid 90 and name  HN) (resid 61 and name HD1#)  7.00 4.80 0.00 !!
assign (resid 90 and name  HA) (resid 91 and name  HN)  3.60 1.60 0.00
assign (resid 90 and name  HN) (resid 91 and name  HN)  2.40 0.20 0.00
assign (resid 90 and name  HB1) (resid 91 and name  HN)  3.60 1.60 0.00
assign (resid 90 and name  HB2) (resid 91 and name  HN)  3.60 1.60 0.00
assign (resid 90 and name  HD1#) (resid 91 and name  HN) 6.60 4.60 0.00
assign (resid 90 and name  HD2#) (resid 91 and name  HN) 6.60 4.60 0.00
assign (resid 91 and name  HA) (resid 91 and name  HN)  2.80 0.80 0.00
assign (resid 91 and name  HG2#) (resid 91 and name HN)  4.80 2.80 0.00
assign (resid 91 and name  HD#) (resid 91 and name  HN)  6.40 4.40 0.00
assign (resid 91 and name  HN) (resid 86 and name  HA)   3.20 0.60 0.00 !
assign (resid 91 and name  HN) (resid 89 and name  HA2)  4.80 0.80 0.00 !
assign (resid 91 and name  HN) (resid 89 and name  HN)  4.60 0.80 0.00 
assign (resid 91 and name  HN) (resid 85 and name  HA)  4.60 0.20 0.00 !
assign (resid 91 and name  HA) (resid 92 and name  HN)  2.40 0.40 0.00
assign (resid 91 and name  HN) (resid 92 and name  HN)  4.60 2.60 0.00
assign (resid 91 and name  HG2#) (resid 92 and name HN)  5.40 3.40 0.00
assign (resid 91 and name  HD#) (resid 92 and name  HN)  6.80 4.80 0.00
assign (resid 92 and name  HA) (resid 92 and name  HN)  2.90 0.90 0.00
assign (resid 92 and name  HB1) (resid 92 and name  HN)  4.00 2.00 0.00
assign (resid 92 and name  HB2) (resid 92 and name  HN)  4.00 2.00 0.00
assign (resid 92 and name  HA) (resid 93 and name  HN)  2.60 0.40 0.00
assign (resid 92 and name  HN) (resid 93 and name  HN)  4.60 0.80 0.00
assign (resid 92 and name  HA) (resid 93 and name  HN)  2.60 0.40 0.00
assign (resid 92 and name  HN) (resid 93 and name  HN)  4.60 0.80 0.00
assign (resid 92 and name  HB1) (resid 93 and name  HN)  3.60 1.60 0.00
assign (resid 92 and name  HB2) (resid 93 and name  HN)  3.60 1.60 0.00
assign (resid 93 and name  HA) (resid 93 and name  HN)  2.80 0.80 0.00
assign (resid 93 and name  HB1) (resid 93 and name  HN)  4.20 2.20 0.00
assign (resid 93 and name  HB2) (resid 93 and name  HN)  4.20 2.20 0.00
assign (resid 93 and name  HA) (resid 94 and name  HN)  3.60 1.60 0.00
assign (resid 93 and name  HN) (resid 94 and name  HN)  2.80 0.80 0.00
assign (resid 93 and name  HB1) (resid 94 and name  HN)  4.20 2.20 0.00
assign (resid 93 and name  HB2) (resid 94 and name  HN)  4.20 2.20 0.00
assign (resid 94 and name  HA) (resid 94 and name  HN)  2.80 0.80 0.00
assign (resid 94 and name  HB1) (resid 94 and name  HN)  3.60 1.60 0.00
assign (resid 94 and name  HB2) (resid 94 and name  HN)  3.60 1.60 0.00
assign (resid 94 and name  HA) (resid 95 and name  HN)  3.60 1.60 0.00
assign (resid 94 and name  HN) (resid 95 and name  HN)  2.80 0.80 0.00
assign (resid 94 and name  HB1) (resid 95 and name  HN)  4.20 2.20 0.00
assign (resid 94 and name  HB2) (resid 95 and name  HN)  4.20 2.20 0.00
assign (resid 95 and name  HA) (resid 95 and name  HN)  2.80 0.80 0.00
assign (resid 95 and name  HB1) (resid 95 and name  HN)  3.60 1.60 0.00
assign (resid 95 and name  HB2) (resid 95 and name  HN)  3.60 1.60 0.00
assign (resid 95 and name  HN) (resid 93 and name  HN)  4.60 2.20 0.00 !
assign (resid 95 and name  HN) (resid 93 and name  HA)  4.60 2.40 0.00 !
assign (resid 95 and name  HN) (resid 92 and name  HN)  4.60 0.60 0.00 !
assign (resid 95 and name  HA) (resid 96 and name  HN)  3.60 1.60 0.00
assign (resid 95 and name  HN) (resid 96 and name  HN)  2.80 0.80 0.00
assign (resid 95 and name  HB1) (resid 96 and name  HN)  4.20 2.20 0.00
assign (resid 95 and name  HB2) (resid 96 and name  HN)  4.20 2.20 0.00
assign (resid 96 and name  HA) (resid 96 and name  HN)  2.80 0.80 0.00
assign (resid 96 and name  HB#) (resid 96 and name  HN)  4.60 2.60 0.00
assign (resid 96 and name  HN) (resid 91 and name  HG2#) 5.80 3.40 0.00
assign (resid 96 and name  HN) (resid 94 and name  HN)  4.40 2.20 0.00 !
assign (resid 96 and name  HN) (resid 94 and name  HA)  4.40 2.40 0.00 !
assign (resid 96 and name  HN) (resid 93 and name  HA)  3.80 1.50 0.00 !
assign (resid 96 and name  HN) (resid 92 and name  HN)  4.80 0.80 0.00 !
assign (resid 96 and name  HA) (resid 97 and name  HN)  3.60 1.60 0.00
assign (resid 96 and name  HN) (resid 97 and name  HN)  2.80 0.80 0.00
assign (resid 96 and name  HB#) (resid 97 and name  HN)  4.80 2.80 0.00
assign (resid 97 and name  HA) (resid 97 and name  HN)  2.80 0.80 0.00
assign (resid 97 and name  HB1) (resid 97 and name  HN)  3.60 1.60 0.00
assign (resid 97 and name  HB2) (resid 97 and name  HN)  3.60 1.60 0.00
assign (resid 97 and name  HN) (resid 95 and name  HN)  4.20 2.20 0.00 !
assign (resid 97 and name  HN) (resid 95 and name  HA)  4.40 2.40 0.00 !
assign (resid 97 and name  HN) (resid 94 and name  HA)  3.50 1.50 0.00 !
assign (resid 97 and name  HA) (resid 98 and name  HN)  3.60 1.60 0.00
assign (resid 97 and name  HN) (resid 98 and name  HN)  2.80 0.80 0.00
assign (resid 97 and name  HB1) (resid 98 and name  HN)  4.20 2.20 0.00
assign (resid 97 and name  HB2) (resid 98 and name  HN)  4.20 2.20 0.00
assign (resid 98 and name  HA) (resid 98 and name  HN)  2.80 0.80 0.00
assign (resid 98 and name  HB1) (resid 98 and name  HN)  4.00 2.00 0.00
assign (resid 98 and name  HB2) (resid 98 and name  HN)  4.00 2.00 0.00
assign (resid 98  and name HN) (resid 94  and name  HA)  4.20 2.20 0.00 !
assign (resid 98  and name HN) (resid 95 and name  HA)   3.40 1.40 0.00 !
assign (resid 98  and name HN) (resid 96  and name  HA)  4.40 2.40 0.00 !
assign (resid 98  and name HN) (resid 96  and name  HN)  4.20 2.20 0.00 !
assign (resid 98 and name  HA) (resid 99 and name  HN)  3.60 1.60 0.00
assign (resid 98 and name  HN) (resid 99 and name  HN)  2.80 0.80 0.00
assign (resid 98 and name  HB1) (resid 99 and name HN)   3.60 1.60 0.00
assign (resid 98 and name  HB2) (resid 99 and name HN)   3.60 1.60 0.00
assign (resid 99 and name  HA) (resid 99 and name  HN)  2.80 0.80 0.00
assign (resid 99 and name  HB1) (resid 99 and name  HN)  3.00 1.00 0.00
assign (resid 99 and name  HB2) (resid 99 and name  HN)  3.00 1.00 0.00
assign (resid 99  and name HN) (resid 95  and name  HA)  4.20 2.20 0.00 !
assign (resid 99  and name HN) (resid 96 and name  HA)   3.40 1.40 0.00 !
assign (resid 99  and name HN) (resid 97  and name  HA)  4.40 2.40 0.00 !
assign (resid 99  and name HN) (resid 97  and name  HN)  4.20 2.20 0.00 !
assign (resid 99 and name  HA) (resid 100 and name  HN)  3.60 1.60 0.00
assign (resid 99 and name  HN) (resid 100 and name  HN)  2.80 0.80 0.00
assign (resid 99 and name  HB1) (resid 100 and name HN)  3.60 1.60 0.00
assign (resid 99 and name  HB2) (resid 100 and name HN)  3.60 1.60 0.00
assign (resid 99 and name  HE3) (resid 100 and name HN)  4.00 0.60 0.00
assign (resid 100 and name  HA) (resid 100 and name  HN) 2.80 0.80 0.00
assign (resid 100 and name  HB1) (resid 100 and name HN) 4.40 2.00 0.00
assign (resid 100 and name  HB2) (resid 100 and name HN) 4.40 2.00 0.00
assign (resid 100 and name  HD1#) (resid 100 and name HN) 5.40 3.40 0.00
assign (resid 100 and name  HD2#) (resid 100 and name  HN) 5.40 3.40 0.00
assign (resid 100  and name HN) (resid 96  and name HA)  4.20 2.20 0.00 !
assign (resid 100  and name HN) (resid 97 and name  HA)   3.40 1.40 0.00 !
assign (resid 100  and name HN) (resid 98  and name  HA)  4.40 2.40 0.00 !
assign (resid 100  and name HN) (resid 98  and name  HN)  4.20 2.20 0.00 !
assign (resid 100 and name  HA) (resid 101 and name  HN) 3.60 1.60 0.00
assign (resid 100 and name  HN) (resid 101 and name  HN) 2.80 0.80 0.00
assign (resid 100 and name  HB1) (resid 101 and name HN)  3.60 1.60 0.00
assign (resid 100 and name  HB2) (resid 101 and name HN)  3.60 1.60 0.00
assign (resid 101 and name  HA) (resid 101 and name  HN)  2.80 0.80 0.00
assign (resid 101 and name  HB1) (resid 101 and name  HN)  4.40 2.00 0.00
assign (resid 101 and name  HB2) (resid 101 and name  HN)  4.40 2.00 0.00
assign (resid 101  and name HN) (resid 97  and name HA)  4.20 2.20 0.00 !
assign (resid 101  and name HN) (resid 98 and name  HA)   3.40 1.40 0.00 !
assign (resid 101  and name HN) (resid 99  and name  HA)  4.40 2.40 0.00 !
assign (resid 101 and name HN) (resid 99  and name  HN)  4.20 2.20 0.00 !
assign (resid 101 and name  HA) (resid 101 and name  HN)  2.80 0.80 0.00
assign (resid 101 and name  HB1) (resid 101 and name  HN)  4.40 2.00 0.00
assign (resid 101 and name  HB2) (resid 101 and name  HN)  4.40 2.00 0.00
assign (resid 101 and name  HA) (resid 102 and name  HN)  3.60 1.60 0.00
assign (resid 101 and name  HN) (resid 102 and name  HN)  2.80 0.80 0.00
assign (resid 101 and name  HB1) (resid 102 and name HN)  3.60 1.60 0.00
assign (resid 101 and name  HB2) (resid 102 and name HN)  3.60 1.60 0.00
assign (resid 102 and name  HA) (resid 102 and name  HN)  2.80 0.80 0.00
assign (resid 102 and name  HB1) (resid 102 and name  HN)  4.40 2.00 0.00
assign (resid 102 and name  HB2) (resid 102 and name  HN)  4.40 2.00 0.00
assign (resid 21 and name  HA) (resid 21 and name  HD1#) 3.80 1.80 0.00 !
assign (resid 21 and name  HA) (resid 21 and name  HD2#) 5.00 3.00 0.00 !
assign (resid 22 and name  HA) (resid 27 and name  HA) 3.20 0.60 0.00 !
assign (resid 22 and name  HA) (resid 27 and name  HB) 2.80 0.40 0.00 !
assign (resid 27 and name  HB) (resid 22 and name  HB2) 4.80 3.40 0.00 !
assign (resid 19 and name  HA) (resid 22 and name  HB1) 4.40 1.60 0.00 !
assign (resid 19 and name  HA) (resid 22 and name  HB2) 4.40 1.80 0.00 !
assign (resid 66 and name  HA) (resid 50 and name  HA) 2.30 0.20 0.00 !
assign (resid 66 and name  HA) (resid 50 and name  HB1) 5.20 3.20 0.00 !
assign (resid 66 and name  HA) (resid 50 and name  HB2) 5.20 3.20 0.00 !
assign (resid 50 and name  HA) (resid 66 and name  HB1) 5.20 3.20 0.00 !
assign (resid 50 and name  HA) (resid 66 and name  HB2) 5.20 3.20 0.00 !
assign (resid 53 and name  HA) (resid 36 and name  HA) 2.30 0.20 0.00 !
assign (resid 53 and name  HA) (resid 36 and name  HB1) 5.20 3.20 0.00 !
assign (resid 53 and name  HA) (resid 36 and name  HB2) 5.20 3.20 0.00 !
assign (resid 53 and name  HA) (resid 77 and name  HG2#) 6.20 4.20 0.00 !
assign (resid 36 and name  HA) (resid 53 and name  HB1) 5.20 3.20 0.00 !
assign (resid 36 and name  HA) (resid 53 and name  HB2) 5.20 3.20 0.00 !
assign (resid 36 and name  HA) (resid 77 and name  HG2#) 6.20 4.20 0.00 !
assign (resid 51 and name  HA2) (resid 38 and name  HA) 2.40 0.20 0.00 !
assign (resid 51 and name  HA1) (resid 38 and name  HA) 2.80 0.80 0.00 !
assign (resid 51 and name  HA1) (resid 38 and name  HG2#) 4.40 2.40 0.00 !
assign (resid 51 and name  HA2) (resid 38 and name  HG2#) 5.40 3.40 0.00 !
assign (resid 50 and name  HA) (resid 73 and name  HG1#) 6.40 4.40 0.00 !!
assign (resid 50 and name  HA) (resid 73 and name  HG2#) 7.40 5.40 0.00 !!
assign (resid 26 and name  HA) (resid 35 and name  HA) 2.40 0.20 0.00 !
assign (resid 26 and name  HA) (resid 36 and name  HB1) 4.80 0.60 0.00 !
assign (resid 26 and name  HA) (resid 36 and name  HB2) 5.80 1.20 0.00 !
assign (resid 36 and name  HA) (resid 35 and name  HB1) 5.40 3.20 0.00 !
assign (resid 62 and name  HA) (resid 54 and name  HA) 3.20 0.40 0.00 !
assign (resid 62 and name  HA) (resid 54 and name  HB1) 4.40 2.40 0.00 !
assign (resid 62 and name  HA) (resid 54 and name  HB2) 4.40 2.40 0.00 !
assign (resid 54 and name  HA) (resid 62 and name  HB1) 5.00 3.00 0.00 !
assign (resid 54 and name  HA) (resid 62 and name  HB2) 5.00 3.00 0.00 !
assign (resid 37 and name  HA) (resid 25 and name  HA) 5.40 3.40 0.00 !
assign (resid 37 and name  HA) (resid 25 and name  HB1) 4.80 2.40 0.00 !
assign (resid 37 and name  HA) (resid 25 and name  HB2) 4.80 2.40 0.00 !
assign (resid 25 and name  HA) (resid 37 and name  HG2#) 6.00 4.00 0.00 !
assign (resid 64 and name  HA) (resid 52 and name  HA) 2.40 0.20 0.00 !
assign (resid 64 and name  HA) (resid 77 and name  HG2#) 4.00 1.00 0.00 !
assign (resid 52 and name  HA) (resid 77 and name  HG2#) 4.00 1.00 0.00 !
assign (resid 64 and name  HA) (resid 52 and name  HD1) 5.00 3.00 0.00 !
assign (resid 64 and name  HA) (resid 52 and name  HD2) 5.00 3.00 0.00 !
assign (resid 64 and name  HA) (resid 77 and name  HG2#) 5.00 3.00 0.00 !!
assign (resid 52 and name  HA) (resid 64 and name  HG1) 5.00 3.00 0.00 !
assign (resid 52 and name  HA) (resid 64 and name  HG2) 5.00 3.00 0.00 !
assign (resid 52 and name  HA) (resid 77 and name  HG2#) 5.00 3.00 0.00 !!
assign (resid 28 and name  HA) (resid 33 and name  HA) 2.80 0.80 0.00 !
assign (resid 55 and name  HA) (resid 34 and name  HA) 2.40 0.40 0.00 !
assign (resid 55 and name  HA) (resid 34 and name  HB1) 5.40 3.00 0.00 !
assign (resid 55 and name  HA) (resid 34 and name  HB2) 5.40 3.00 0.00 !
assign (resid 34 and name  HA) (resid 55 and name  HB1) 5.40 2.40 0.00 !
assign (resid 34 and name  HA) (resid 55 and name  HB2) 4.80 2.40 0.00 !
assign (resid 40 and name  HA) (resid 49 and name  HA) 2.40 0.20 0.00 !
assign (resid 40 and name  HA) (resid 49 and name  HB1) 5.00 3.00 0.00 !
assign (resid 40 and name  HA) (resid 49 and name  HB2) 5.00 3.00 0.00 !
assign (resid 49 and name  HA) (resid 40 and name  HB1) 5.00 3.00 0.00 !
assign (resid 49 and name  HA) (resid 40 and name  HB2) 5.00 3.00 0.00 !
assign (resid 42 and name  HA) (resid 47 and name  HA) 2.60 0.30 0.00 !
assign (resid 42 and name  HA) (resid 47 and name  HG1#) 7.00 5.00 0.00 !!
assign (resid 42 and name  HA) (resid 47 and name  HG2#) 7.00 5.00 0.00 !!
assign (resid 7 and name  HA) (resid 10 and name  HB) 4.00 2.00 0.00 !
assign (resid 8 and name  HA) (resid 11 and name  HB#) 5.00 3.00 0.00 !
assign (resid 94 and name  HA) (resid 97 and name  HB1) 5.00 3.00 0.00 !
assign (resid 94 and name  HA) (resid 97 and name  HB2) 5.00 3.00 0.00 !
assign (resid 96 and name  HA) (resid 99 and name  HB1) 4.40 2.40 0.00 !
assign (resid 96 and name  HA) (resid 99 and name  HB2) 4.60 2.60 0.00 !
assign (resid 96 and name  HB#) (resid 91 and name  HG2#) 6.40 4.20 0.00 !!
assign (resid 83 and name  HA) (resid 86 and name  HB1) 3.60 1.60 0.00 !
assign (resid 83 and name  HA) (resid 86 and name  HB2) 3.60 1.60 0.00 !
assign (resid 76 and name  HA) (resid 79 and name  HB#) 5.40 3.40 0.00 !
assign (resid 16 and name  HA) (resid 19 and name  HB#) 6.40 4.40 0.00 !
assign (resid 84 and name  HA) (resid 87 and name  HB1) 4.40 2.40 0.00 !
assign (resid 84 and name  HA) (resid 87 and name  HB2) 4.60 2.60 0.00 !
assign (resid 74 and name  HA) (resid 77 and name  HG2#) 6.00 4.00 0.00 !
assign (resid 59 and name  HB) (resid 90 and name  HD1#) 5.00 3.00 0.00 !!
assign (resid 59 and name  HB) (resid 90 and name  HD2#) 5.40 3.00 0.00 !!
assign (resid 73 and name  HA) (resid 67 and name  HG2#) 4.60 2.20 0.00 !!
assign (resid 73 and name  HB) (resid 67 and name  HG2#) 5.00 2.20 0.00 !!
assign (resid 77 and name  HA) (resid 65 and name  HB#) 4.80 2.00 0.00 !!
assign (resid 85 and name  HA) (resid 61 and name  HD1#) 4.80 2.60 0.00 !!
assign (resid 85 and name  HB#) (resid 61 and name  HD1#) 6.80 4.80 0.00 !!
assign (resid 90 and name  HD1#) (resid 61 and name  HD#) 6.80 4.80 0.00 !!
assign (resid 85 and name  HA) (resid 90 and name  HB2) 3.80 0.80 0.00 !!
assign (resid 85 and name  HA) (resid 90 and name  HG) 4.40 0.60 0.00 !!
assign (resid 85 and name  HA) (resid 90 and name  HB1) 4.40 0.60 0.00 !!
assign (resid 85 and name  HA) (resid 90 and name  HD1#) 6.40 2.00 0.00 !!
assign (resid 49 and name  HB1) (resid 67 and name  HG2#) 5.40 3.40 0.00 !
assign (resid 49 and name  HB2) (resid 67 and name  HG2#) 5.40 3.40 0.00 !
assign (resid 85 and name  HB#) (resid 91 and name  HD#) 6.80 4.00 0.00 !!
assign (resid 77 and name  HG2#) (resid 53 and name  HB1) 5.00 3.00 0.00 !!
assign (resid 77 and name  HG2#) (resid 53 and name  HG1) 5.00 3.00 0.00 !!
assign (resid 91 and name  HD#) (resid 29 and name  HD1#) 7.20 4.80 0.00 !!
assign (resid 99 and name  HZ2) (resid 29 and name  HA) 2.80 1.20 0.00 !!
assign (resid 99 and name  HE1) (resid 29 and name  HA) 4.40 2.00 0.00 !!
assign (resid 99 and name  HH2) (resid 29 and name  HA) 4.80 1.00 0.00 !
assign (resid 99 and name  HZ2) (resid 29 and name  HD2#) 5.40 1.60 0.00 !!
assign (resid 99 and name  HH2) (resid 29 and name  HD2#) 5.40 1.60 0.00 !!
assign (resid 99 and name  HZ3) (resid 29 and name  HD2#) 5.60 1.60 0.00 !!
assign (resid 99 and name  HE3) (resid 29 and name  HD2#) 6.80 2.40 0.00 !!
assign (resid 99 and name  HZ2) (resid 30 and name  HN) 4.00 1.60 0.00 !!
assign (resid 99 and name  HE1) (resid 30 and name  HN) 3.00 0.60 0.00 !!
assign (resid 99 and name  HE1) (resid 30 and name  HA) 4.00 0.60 0.00 !!
assign (resid 99 and name  HD1) (resid 30 and name  HN) 3.40 1.60 0.00 !!
assign (resid 99 and name  HD1) (resid 30 and name  HA) 3.00 0.60 0.00 !
assign (resid 99 and name  HD1) (resid 30 and name  HD1#) 5.80 2.40 0.00 !
assign (resid 99 and name  HD1) (resid 31 and name  HN) 4.00 0.60 0.00 !
assign (resid 99 and name  HE1) (resid 31 and name  HN) 4.80 2.00 0.00 !!
assign (resid 99 and name  HZ2) (resid 21 and name  HD2#) 4.60 2.40 0.00 !!
assign (resid 99 and name  HE3) (resid 14 and name  HA) 4.60 1.60 0.00 !!
assign (resid 99 and name  HZ3) (resid 14 and name  HA) 3.00 0.60 0.00 !!
assign (resid 99 and name  HZ3) (resid 14 and name  HG1#) 5.00 2.60 0.00 !!
assign (resid 99 and name  HE3) (resid 14 and name  HG1#) 5.80 2.80 0.00 !!
assign (resid 36 and name  HD#) (resid 77 and name  HB) 6.80 4.80 0.00 !!
assign (resid 36 and name  HE#) (resid 77 and name  HB) 5.80 3.80 0.00 !!
assign (resid 36 and name  HD#) (resid 74 and name  HA) 6.40 4.40 0.00 !!
assign (resid 36 and name  HE#) (resid 74 and name  HA) 6.80 4.80 0.00 !!
assign (resid 36 and name  HE#) (resid 19 and name  HA) 6.80 4.80 0.00 !!
assign (resid 36 and name  HE#) (resid 19 and name  HG1#) 7.80 4.80 0.00 !!
assign (resid 36 and name  HE#) (resid 19 and name  HG2#) 7.80 4.80 0.00 !!
assign (resid 36 and name  HE#) (resid 74 and name  HB#) 6.80 3.80 0.00 !!
assign (resid 36 and name  HE#) (resid 78 and name  HB#) 6.80 3.80 0.00 !!
assign (resid 81 and name  HD2) (resid 61 and name  HG2#) 5.60 3.60 0.00 !!
assign (resid 81 and name  HE2) (resid 61 and name  HG2#) 5.80 3.80 0.00 !!
assign (resid 81 and name  HZ) (resid 59 and name  HG2#) 5.80 3.80 0.00 !!
assign (resid 81 and name  HE2) (resid 59 and name  HG2#) 4.80 3.80 0.00 !!
assign (resid 81 and name  HE2) (resid 59 and name  HG2#) 4.80 3.80 0.00 !!
assign (resid 81 and name  HZ) (resid 59 and name  HG2#) 4.20 2.20 0.00 !!
assign (resid 55 and name  HB2) (resid 59 and name  HG2#) 5.80 2.80 0.00 !!
assign (resid 58 and name  HE3) (resid 59 and name  HG2#) 5.80 2.80 0.00 !!
assign (resid 90 and name  HD1#) (resid 59 and name  HG2#) 5.80 2.80 0.00 !!
assign (resid 90 and name  HD2#) (resid 59 and name  HG2#) 7.00 2.80 0.00 !!
assign (resid 32 and name  HD2) (resid 58 and name  HB1) 4.80 2.40 0.00 !!
assign (resid 32 and name  HD2) (resid 58 and name  HB2) 4.80 2.40 0.00 !!
assign (resid 58 and name  HE3) (resid 55 and name  HB1) 4.00 2.00 0.00 !!
assign (resid 58 and name  HE3) (resid 55 and name  HB2) 4.00 2.00 0.00 !!
assign (resid 58 and name  HD1) (resid 90 and name  HD1#) 6.80 4.80 0.00 !!
assign (resid 58 and name  HD1) (resid 90 and name  HD2#) 6.80 4.80 0.00 !!
assign (resid 58 and name  HZ2) (resid 90 and name  HD1#) 6.40 4.80 0.00 !!
assign (resid 58 and name  HZ2) (resid 90 and name  HD2#) 6.40 4.80 0.00 !!
assign (resid 58 and name  HH2) (resid 91 and name  HD#) 6.80 4.00 0.00 !!
assign (resid 58 and name  HH2) (resid 91 and name  HG2#) 6.80 4.00 0.00 !!
assign (resid 58 and name  HZ2) (resid 30 and name  HD2#) 4.00 2.00 0.00 !!
assign (resid 38 and name  HA) (resid 73 and name  HG1#) 6.80 2.40 0.00 !!
assign (resid 99 and name  HZ2) (resid 17 and name  HB#) 5.80 3.40 0.00 !!
assign (resid 75 and name  HA2) (resid 78 and name  HB#) 5.00 2.00 0.00 !
assign (resid 75 and name  HA2) (resid 19 and name  HG1#) 6.80 2.40 0.00 !
assign (resid 75 and name  HA2) (resid 19 and name  HG2#) 5.40 2.40 0.00 !
assign (resid 74 and name  HB#) (resid 19 and name  HG2#) 5.40 2.40 0.00 !
assign (resid 79 and name  HA) (resid 15 and name  HB#) 5.00 2.00 0.00 !
assign (resid 32 and name  HD2) (resid 30 and name  HB1) 3.20 1.60 0.00 !
assign (resid 32 and name  HD2) (resid 30 and name  HB2) 3.20 1.60 0.00 !
assign (resid 95 and name  HG#) (resid 30 and name  HD1#) 7.40 4.80 0.00 !
assign (resid 95 and name  HG#) (resid 30 and name  HD2#) 7.40 4.80 0.00 !
assign (resid 86 and name  HD#) (resid 92 and name  HA) 6.80 2.40 0.00 !
assign (resid 86 and name  HZ) (resid 96 and name  HB#) 6.40 2.40 0.00 !
assign (resid 92 and name  HN) (resid 95 and name  HB1) 3.40 0.80 0.00 !
assign (resid 92 and name  HN) (resid 95 and name  HB2) 3.40 0.80 0.00 !
assign (resid 92 and name  HN) (resid 96 and name  HB#) 6.80 2.80 0.00 !
assign (resid 96 and name  HN) (resid 93 and name  HN) 5.00 0.40 0.00 !
assign (resid 22 and name  HH2) (resid 38 and name  HB) 4.00 2.00 0.00 !
assign (resid 22 and name  HH2) (resid 38 and name  HG2#) 5.80 3.80 0.00 !
assign (resid 22 and name  HZ2) (resid 38 and name  HB) 4.40 2.00 0.00 !
assign (resid 22 and name  HD1) (resid 26 and name  HN) 3.20 0.60 0.00 !
assign (resid 22 and name  HZ2) (resid 38 and name  HN) 3.00 0.60 0.00 !
assign (resid 22 and name  HE3) (resid 19 and name  HA) 3.60 0.60 0.00 !
assign (resid 22 and name  HE3) (resid 19 and name  HG1#) 6.00 2.40 0.00 !
assign (resid 22 and name  HZ3) (resid 74 and name  HB#) 5.80 2.40 0.00 !
assign (resid 22 and name  HE3) (resid 74 and name  HB#) 5.80 2.40 0.00 !
assign (resid 36 and name  HD#) (resid 18 and name  HD#) 5.80 3.80 0.00 !
assign (resid 70 and name  HA) (resid 73 and name  HG1#) 5.80 1.80 0.00 !
assign (resid 49 and name  HE1) (resid 40 and name  HG1) 4.40 0.00 0.00 !
assign (resid 49 and name  HE1) (resid 40 and name  HB1) 4.40 2.00 0.00 !
assign (resid 49 and name  HE1) (resid 70 and name  HB1) 4.40 2.40 0.00 !
assign (resid 49 and name  HE1) (resid 70 and name  HG2) 4.40 2.40 0.00 !
assign (resid 41 and name  HE2) (resid 50 and name  HB1) 3.00 1.00 0.00 !
assign (resid 41 and name  HE2) (resid 50 and name  HB2) 3.00 1.00 0.00 !
assign (resid 61 and name  HD1#) (resid 59 and name  HG2#) 7.40 3.00 0.00 !
assign (resid 61 and name  HD1#) (resid 90 and name  HD1#) 6.80 3.80 0.00 !
assign (resid 48 and name  HE1) (resid 46 and name  HB1) 2.80 0.80 0.00 !
assign (resid 48 and name  HE1) (resid 46 and name  HB2) 3.40 1.00 0.00 !
assign (resid 48 and name  HD1) (resid 46 and name  HB1) 4.40 1.40 0.00 !
assign (resid 48 and name  HD1) (resid 46 and name  HB2) 4.40 1.40 0.00 !
assign (resid 48 and name  HD1) (resid 47 and name  HA) 4.40 0.60 0.00 !
assign (resid 48 and name  HD2) (resid 67 and name  HA) 4.40 1.40 0.00 !
assign (resid 48 and name  HD2) (resid 68 and name  HN) 4.80 1.40 0.00 !
assign (resid 49 and name  HD2) (resid 47 and name  HG1#) 4.80 2.40 0.00 !
assign (resid 49 and name  HE2) (resid 47 and name  HG1#) 4.80 2.40 0.00 !
assign (resid 54 and name  HD1) (resid 56 and name  HD1) 3.40 1.40 0.00 !
assign (resid 54 and name  HD1) (resid 56 and name  HD2) 3.40 1.40 0.00 !
assign (resid 54 and name  HD1) (resid 56 and name  HD1) 3.40 1.40 0.00 !
assign (resid 54 and name  HD1) (resid 56 and name  HD2) 3.40 1.40 0.00 !
assign (resid 54 and name  HZ2) (resid 35 and name  HB1) 4.80 2.40 0.00 !
assign (resid 54 and name  HZ2) (resid 35 and name  HB2) 4.80 2.40 0.00 !
assign (resid 99 and name  HZ3) (resid 17 and name  HG1) 4.80 1.00 0.00 !
assign (resid 99 and name  HE3) (resid 17 and name  HG2) 4.80 1.00 0.00 !
assign (resid 99 and name  HZ3) (resid 17 and name  HB1) 3.00 1.00 0.00 !
assign (resid 99 and name  HZ3) (resid 17 and name  HB2) 4.40 2.00 0.00 !
assign (resid 99 and name  HE3) (resid 17 and name  HB1) 3.40 1.40 0.00 !
assign (resid 99 and name  HH2) (resid 18 and name  HA) 3.60 1.60 0.00 !
assign (resid 99 and name  HH2) (resid 18 and name  HG12) 3.60 1.40 0.00 !
assign (resid 99 and name  HH2) (resid 18 and name  HN) 3.60 0.60 0.00 !
assign (resid 99 and name  HH2) (resid 18 and name  HN) 3.60 0.60 0.00 !
assign (resid 99 and name  HZ3) (resid 18 and name  HN) 4.40 0.80 0.00 !
assign (resid 99 and name  HE3) (resid 96 and name  HA) 4.00 0.20 0.00 !
assign (resid 13 and name  HB#) (resid 100 and name  HD1#) 5.40 2.60 0.00 !
assign (resid 13 and name  HB#) (resid 100 and name  HD2#) 5.40 2.60 0.00 !
assign (resid 34 and name  O) (resid 27 and name  HN) 2.20 0.30 0.20 !!
assign (resid 27 and name  O) (resid 34 and name  HN) 2.20 0.30 0.20 !!
assign (resid 63 and name  O) (resid 53 and name  HN) 2.20 0.30 0.20 !!
assign (resid 51 and name  O) (resid 65 and name  HN) 2.20 0.30 0.20 !!
assign (resid 65 and name  O) (resid 51 and name  HN) 2.20 0.30 0.20 !!
assign (resid 41 and name  O) (resid 48 and name  HN) 2.20 0.30 0.20 !!
assign (resid 48 and name  O) (resid 41 and name  HN) 2.20 0.30 0.20 !!
assign (resid 50 and name  O) (resid 39 and name  HN) 2.20 0.30 0.20 !!
assign (resid 52 and name  O) (resid 37 and name  HN) 2.20 0.30 0.20 !!
assign (resid 37 and name  O) (resid 52 and name  HN) 2.20 0.30 0.20 !!
assign (resid 54 and name  O) (resid 35 and name  HN) 2.20 0.30 0.20 !!
assign (resid 35 and name  O) (resid 54 and name  HN) 2.20 0.30 0.20 !!


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   GLU   1           HA       GLU   1  15.981  13.102   0.106
    2    H1   GLU   1           1H       GLU   1  14.379  13.950  -1.460
    3    H2   GLU   1           2H       GLU   1  13.102  13.714  -0.364
    4    H3   GLU   1           3H       GLU   1  13.915  12.378  -1.028
    5    HB2  GLU   1           2HB      GLU   1  14.691  15.485   0.137
    6    HB3  GLU   1           1HB      GLU   1  14.322  14.935   1.771
    7    HG2  GLU   1           2HG      GLU   1  17.142  14.767   0.728
    8    HG3  GLU   1           1HG      GLU   1  16.522  16.292   1.360
    9    H    ALA   2           H        ALA   2  16.409  11.979   2.053
   10    HA   ALA   2           HA       ALA   2  14.074  11.065   3.682
   11    HB1  ALA   2           3HB      ALA   2  16.259   9.277   2.566
   12    HB2  ALA   2           1HB      ALA   2  14.658   9.439   1.846
   13    HB3  ALA   2           2HB      ALA   2  14.832   8.761   3.464
   14    H    TYR   3           H        TYR   3  14.607  11.755   5.726
   15    HA   TYR   3           HA       TYR   3  17.400  11.262   6.693
   16    HD1  TYR   3           HD2      TYR   3  14.596  14.145   5.398
   17    HD2  TYR   3           HD1      TYR   3  15.780  13.814   9.514
   18    HE1  TYR   3           HE2      TYR   3  12.472  15.217   6.097
   19    HE2  TYR   3           HE1      TYR   3  13.657  14.887  10.212
   20    HH   TYR   3           HH       TYR   3  11.895  16.661   8.652
   21    HB2  TYR   3           2HB      TYR   3  17.385  13.460   7.724
   22    HB3  TYR   3           1HB      TYR   3  16.932  13.655   6.033
   23    H    VAL   4           H        VAL   4  17.543  10.517   8.812
   24    HA   VAL   4           HA       VAL   4  16.875   9.573  10.854
   25    HB   VAL   4           HB       VAL   4  14.574  11.504  10.393
   26   HG11  VAL   4          1HG1      VAL   4  13.885   9.846  12.024
   27   HG12  VAL   4          2HG1      VAL   4  14.306  11.324  12.888
   28   HG13  VAL   4          3HG1      VAL   4  15.432   9.967  12.862
   29   HG21  VAL   4          3HG2      VAL   4  15.854  12.946  11.933
   30   HG22  VAL   4          1HG2      VAL   4  16.824  12.539  10.518
   31   HG23  VAL   4          2HG2      VAL   4  17.111  11.715  12.050
   32    H    GLN   5           H        GLN   5  13.662  10.006   9.302
   33    HA   GLN   5           HA       GLN   5  13.019   7.179   9.850
   34    HB2  GLN   5           2HB      GLN   5  11.562   9.582   8.720
   35    HB3  GLN   5           1HB      GLN   5  10.812   7.988   8.805
   36    HG2  GLN   5           2HG      GLN   5  12.108   8.774  11.316
   37    HG3  GLN   5           1HG      GLN   5  10.808   9.867  10.839
   38   HE21  GLN   5          1HE2      GLN   5   8.675   8.718  10.213
   39   HE22  GLN   5          2HE2      GLN   5   8.268   7.312  11.073
   40    H    GLY   6           H        GLY   6  15.006   6.820   8.180
   41    HA2  GLY   6           2HA      GLY   6  14.522   7.137   5.375
   42    HA3  GLY   6           1HA      GLY   6  15.661   5.992   6.084
   43    H    TRP   7           H        TRP   7  13.878   4.431   7.610
   44    HA   TRP   7           HA       TRP   7  12.897   2.582   5.669
   45    HD1  TRP   7           HD1      TRP   7  13.267   4.467   9.569
   46    HE1  TRP   7           HE1      TRP   7  11.405   5.107  11.233
   47    HE3  TRP   7           HE3      TRP   7   9.648   1.143   8.167
   48    HZ2  TRP   7           HZ2      TRP   7   8.738   4.310  11.887
   49    HZ3  TRP   7           HZ3      TRP   7   7.461   1.105   9.329
   50    HH2  TRP   7           HH2      TRP   7   7.001   2.682  11.185
   51    HB2  TRP   7           2HB      TRP   7  12.109   1.371   7.590
   52    HB3  TRP   7           1HB      TRP   7  13.587   2.188   8.088
   53    H    GLU   8           H        GLU   8  11.246   5.189   7.455
   54    HA   GLU   8           HA       GLU   8   8.567   4.494   6.641
   55    HB2  GLU   8           2HB      GLU   8   9.544   6.111   8.482
   56    HB3  GLU   8           1HB      GLU   8   9.513   7.303   7.182
   57    HG2  GLU   8           2HG      GLU   8   7.396   7.598   8.108
   58    HG3  GLU   8           1HG      GLU   8   7.049   6.427   6.836
   59    H    ALA   9           H        ALA   9  11.098   6.570   5.243
   60    HA   ALA   9           HA       ALA   9   9.531   7.659   3.093
   61    HB1  ALA   9           3HB      ALA   9  11.669   8.597   3.864
   62    HB2  ALA   9           1HB      ALA   9  11.801   8.153   2.162
   63    HB3  ALA   9           2HB      ALA   9  12.504   7.114   3.400
   64    H    VAL  10           H        VAL  10  11.563   4.746   3.391
   65    HA   VAL  10           HA       VAL  10  11.396   3.887   0.662
   66    HB   VAL  10           HB       VAL  10  11.826   2.488   3.320
   67   HG11  VAL  10          1HG1      VAL  10  11.952   1.365   0.508
   68   HG12  VAL  10          2HG1      VAL  10  10.983   0.774   1.858
   69   HG13  VAL  10          3HG1      VAL  10  12.738   0.599   1.889
   70   HG21  VAL  10          3HG2      VAL  10  14.176   2.360   2.407
   71   HG22  VAL  10          1HG2      VAL  10  13.611   4.005   2.692
   72   HG23  VAL  10          2HG2      VAL  10  13.646   3.357   1.053
   73    H    ALA  11           H        ALA  11   9.329   3.275   3.503
   74    HA   ALA  11           HA       ALA  11   7.552   1.389   2.274
   75    HB1  ALA  11           3HB      ALA  11   7.419   3.333   4.580
   76    HB2  ALA  11           1HB      ALA  11   7.517   1.572   4.634
   77    HB3  ALA  11           2HB      ALA  11   6.014   2.358   4.149
   78    H    ALA  12           H        ALA  12   7.518   4.949   2.480
   79    HA   ALA  12           HA       ALA  12   4.968   5.376   1.248
   80    HB1  ALA  12           3HB      ALA  12   6.193   7.633   0.689
   81    HB2  ALA  12           1HB      ALA  12   7.510   6.945   1.640
   82    HB3  ALA  12           2HB      ALA  12   5.930   7.204   2.379
   83    H    ALA  13           H        ALA  13   8.260   5.088  -0.103
   84    HA   ALA  13           HA       ALA  13   7.580   5.647  -2.833
   85    HB1  ALA  13           3HB      ALA  13   9.867   5.690  -2.048
   86    HB2  ALA  13           1HB      ALA  13   9.751   4.376  -3.218
   87    HB3  ALA  13           2HB      ALA  13   9.760   4.020  -1.490
   88    H    VAL  14           H        VAL  14   7.650   2.622  -0.943
   89    HA   VAL  14           HA       VAL  14   7.080   0.826  -3.105
   90    HB   VAL  14           HB       VAL  14   6.526   0.722  -0.119
   91   HG11  VAL  14          1HG1      VAL  14   5.102  -0.926  -1.105
   92   HG12  VAL  14          2HG1      VAL  14   6.531  -1.798  -0.553
   93   HG13  VAL  14          3HG1      VAL  14   6.343  -1.408  -2.262
   94   HG21  VAL  14          3HG2      VAL  14   8.683   0.054   0.133
   95   HG22  VAL  14          1HG2      VAL  14   8.937   0.751  -1.467
   96   HG23  VAL  14          2HG2      VAL  14   8.623  -0.976  -1.298
   97    H    ALA  15           H        ALA  15   4.979   2.651  -0.871
   98    HA   ALA  15           HA       ALA  15   2.480   1.536  -1.727
   99    HB1  ALA  15           3HB      ALA  15   1.700   3.856  -0.799
  100    HB2  ALA  15           1HB      ALA  15   3.402   4.076  -0.391
  101    HB3  ALA  15           2HB      ALA  15   2.494   2.733   0.304
  102    H    SER  16           H        SER  16   4.390   4.330  -2.866
  103    HA   SER  16           HA       SER  16   2.480   5.328  -4.759
  104    HG   SER  16           HG       SER  16   3.896   6.826  -6.354
  105    HB2  SER  16           2HB      SER  16   4.834   6.173  -3.762
  106    HB3  SER  16           1HB      SER  16   5.416   5.506  -5.285
  107    H    LYS  17           H        LYS  17   5.096   2.913  -5.013
  108    HA   LYS  17           HA       LYS  17   4.885   2.466  -7.843
  109    HB2  LYS  17           2HB      LYS  17   6.756   1.827  -6.254
  110    HB3  LYS  17           1HB      LYS  17   5.726   0.518  -5.676
  111    HG2  LYS  17           2HG      LYS  17   6.272  -0.763  -7.447
  112    HG3  LYS  17           1HG      LYS  17   5.785   0.509  -8.566
  113    HD2  LYS  17           2HD      LYS  17   8.379   0.861  -7.133
  114    HD3  LYS  17           1HD      LYS  17   8.319  -0.341  -8.421
  115    HE2  LYS  17           2HE      LYS  17   6.966   2.034  -9.329
  116    HE3  LYS  17           1HE      LYS  17   8.569   2.481  -8.713
  117    HZ1  LYS  17           3HZ      LYS  17   8.048   0.209 -10.562
  118    HZ2  LYS  17           1HZ      LYS  17   9.566   0.752 -10.030
  119    HZ3  LYS  17           2HZ      LYS  17   8.623   1.731 -11.050
  120    H    ILE  18           H        ILE  18   3.113   1.174  -5.056
  121    HA   ILE  18           HA       ILE  18   1.843  -1.044  -6.345
  122    HB   ILE  18           HB       ILE  18   1.325   0.722  -3.962
  123   HG12  ILE  18          2HG1      ILE  18   3.015  -1.124  -3.905
  124   HG13  ILE  18          1HG1      ILE  18   1.715  -1.346  -2.739
  125   HG21  ILE  18          1HG2      ILE  18  -0.552  -1.378  -5.075
  126   HG22  ILE  18          2HG2      ILE  18  -0.922   0.305  -4.697
  127   HG23  ILE  18          3HG2      ILE  18  -0.598  -0.840  -3.396
  128   HD11  ILE  18          3HD1      ILE  18   2.515  -3.112  -4.847
  129   HD12  ILE  18          1HD1      ILE  18   0.881  -2.548  -5.192
  130   HD13  ILE  18          2HD1      ILE  18   1.234  -3.343  -3.659
  131    H    VAL  19           H        VAL  19   0.858   2.376  -5.961
  132    HA   VAL  19           HA       VAL  19  -1.683   2.104  -7.300
  133    HB   VAL  19           HB       VAL  19   0.186   4.424  -6.719
  134   HG11  VAL  19          1HG1      VAL  19  -2.195   5.632  -7.099
  135   HG12  VAL  19          2HG1      VAL  19  -2.361   4.315  -8.261
  136   HG13  VAL  19          3HG1      VAL  19  -1.012   5.444  -8.394
  137   HG21  VAL  19          3HG2      VAL  19  -1.712   4.947  -5.088
  138   HG22  VAL  19          1HG2      VAL  19  -0.759   3.512  -4.713
  139   HG23  VAL  19          2HG2      VAL  19  -2.348   3.344  -5.457
  140    H    GLY  20           H        GLY  20   1.577   3.029  -8.425
  141    HA2  GLY  20           2HA      GLY  20   0.774   3.641 -11.128
  142    HA3  GLY  20           1HA      GLY  20   2.423   3.314 -10.598
  143    H    LEU  21           H        LEU  21   1.505   0.641  -9.456
  144    HA   LEU  21           HA       LEU  21   1.389  -0.833 -12.060
  145    HG   LEU  21           HG       LEU  21   2.327  -2.927 -12.060
  146    HB2  LEU  21           2HB      LEU  21   3.394  -0.778 -10.288
  147    HB3  LEU  21           1HB      LEU  21   2.422  -2.036  -9.527
  148   HD11  LEU  21          1HD1      LEU  21   4.548  -2.600 -13.109
  149   HD12  LEU  21          2HD1      LEU  21   4.985  -1.480 -11.819
  150   HD13  LEU  21          3HD1      LEU  21   3.686  -1.071 -12.940
  151   HD21  LEU  21          3HD2      LEU  21   3.089  -4.277 -10.205
  152   HD22  LEU  21          1HD2      LEU  21   4.557  -3.313 -10.042
  153   HD23  LEU  21          2HD2      LEU  21   4.332  -4.345 -11.455
  154    H    TRP  22           H        TRP  22  -1.007   0.020 -10.550
  155    HA   TRP  22           HA       TRP  22  -1.994  -2.535  -9.380
  156    HD1  TRP  22           HD1      TRP  22  -3.747  -3.263  -8.147
  157    HE1  TRP  22           HE1      TRP  22  -6.212  -3.371  -7.401
  158    HE3  TRP  22           HE3      TRP  22  -5.026   1.659  -8.613
  159    HZ2  TRP  22           HZ2      TRP  22  -8.431  -1.604  -7.048
  160    HZ3  TRP  22           HZ3      TRP  22  -7.319   2.419  -8.065
  161    HH2  TRP  22           HH2      TRP  22  -9.022   0.794  -7.283
  162    HB2  TRP  22           2HB      TRP  22  -2.191  -0.516  -8.027
  163    HB3  TRP  22           1HB      TRP  22  -3.001   0.328  -9.343
  164    H    ARG  23           H        ARG  23  -3.632  -3.681 -10.358
  165    HA   ARG  23           HA       ARG  23  -4.602  -2.771 -13.024
  166    HE   ARG  23           HE       ARG  23  -3.327  -6.346 -16.034
  167    HB2  ARG  23           2HB      ARG  23  -3.584  -5.144 -12.015
  168    HB3  ARG  23           1HB      ARG  23  -5.318  -5.450 -12.009
  169    HG2  ARG  23           2HG      ARG  23  -4.832  -6.078 -14.181
  170    HG3  ARG  23           1HG      ARG  23  -5.140  -4.360 -14.446
  171    HD2  ARG  23           2HD      ARG  23  -2.791  -3.844 -14.452
  172    HD3  ARG  23           1HD      ARG  23  -2.373  -5.463 -13.856
  173   HH11  ARG  23          2HH1      ARG  23  -0.796  -4.507 -16.253
  174   HH12  ARG  23          1HH1      ARG  23  -1.193  -3.637 -17.697
  175   HH21  ARG  23          1HH2      ARG  23  -4.534  -4.598 -17.670
  176   HH22  ARG  23          2HH2      ARG  23  -3.319  -3.687 -18.501
  177    H    ASN  24           H        ASN  24  -7.051  -4.048 -13.177
  178    HA   ASN  24           HA       ASN  24  -8.935  -2.355 -12.022
  179    HB2  ASN  24           2HB      ASN  24  -8.857  -5.086 -13.144
  180    HB3  ASN  24           1HB      ASN  24 -10.238  -4.784 -12.091
  181   HD21  ASN  24          1HD2      ASN  24  -8.469  -2.889 -14.632
  182   HD22  ASN  24          2HD2      ASN  24  -9.881  -2.365 -15.412
  183    H    GLU  25           H        GLU  25  -7.682  -5.399 -10.610
  184    HA   GLU  25           HA       GLU  25  -8.167  -4.386  -7.889
  185    HB2  GLU  25           2HB      GLU  25  -9.739  -6.186  -7.311
  186    HB3  GLU  25           1HB      GLU  25 -10.373  -5.254  -8.665
  187    HG2  GLU  25           2HG      GLU  25  -9.501  -6.959 -10.237
  188    HG3  GLU  25           1HG      GLU  25  -8.897  -7.899  -8.873
  189    H    LYS  26           H        LYS  26  -5.816  -5.289  -9.397
  190    HA   LYS  26           HA       LYS  26  -4.855  -7.380  -7.520
  191    HB2  LYS  26           2HB      LYS  26  -5.919  -8.436  -9.551
  192    HB3  LYS  26           1HB      LYS  26  -4.696  -7.637 -10.537
  193    HG2  LYS  26           2HG      LYS  26  -3.407  -9.460 -10.174
  194    HG3  LYS  26           1HG      LYS  26  -3.199  -8.853  -8.533
  195    HD2  LYS  26           2HD      LYS  26  -4.256 -10.679  -7.758
  196    HD3  LYS  26           1HD      LYS  26  -5.718 -10.155  -8.595
  197    HE2  LYS  26           2HE      LYS  26  -5.416 -11.640 -10.321
  198    HE3  LYS  26           1HE      LYS  26  -3.652 -11.457 -10.300
  199    HZ1  LYS  26           3HZ      LYS  26  -4.406 -13.637  -9.440
  200    HZ2  LYS  26           1HZ      LYS  26  -5.220 -12.840  -8.185
  201    HZ3  LYS  26           2HZ      LYS  26  -3.526 -12.743  -8.294
  202    H    THR  27           H        THR  27  -2.547  -7.387  -7.345
  203    HA   THR  27           HA       THR  27  -0.949  -5.586  -9.064
  204    HB   THR  27           HB       THR  27  -2.061  -4.262  -7.173
  205    HG1  THR  27           HG1      THR  27  -0.217  -3.478  -8.155
  206   HG21  THR  27          3HG2      THR  27  -1.303  -4.550  -4.936
  207   HG22  THR  27          1HG2      THR  27  -0.013  -5.645  -5.434
  208   HG23  THR  27          2HG2      THR  27  -1.695  -6.172  -5.505
  209    H    GLU  28           H        GLU  28   1.442  -5.676  -8.165
  210    HA   GLU  28           HA       GLU  28   1.968  -8.386  -7.005
  211    HB2  GLU  28           2HB      GLU  28   3.897  -8.456  -8.696
  212    HB3  GLU  28           1HB      GLU  28   2.275  -8.639  -9.357
  213    HG2  GLU  28           2HG      GLU  28   2.251  -6.447 -10.230
  214    HG3  GLU  28           1HG      GLU  28   3.569  -5.919  -9.186
  215    H    LEU  29           H        LEU  29   3.316  -8.249  -5.263
  216    HA   LEU  29           HA       LEU  29   4.976  -5.775  -4.952
  217    HG   LEU  29           HG       LEU  29   3.003  -5.062  -4.032
  218    HB2  LEU  29           2HB      LEU  29   3.406  -7.552  -3.141
  219    HB3  LEU  29           1HB      LEU  29   4.860  -6.811  -2.475
  220   HD11  LEU  29          1HD1      LEU  29   1.735  -4.644  -1.875
  221   HD12  LEU  29          2HD1      LEU  29   2.469  -6.117  -1.244
  222   HD13  LEU  29          3HD1      LEU  29   1.400  -6.195  -2.644
  223   HD21  LEU  29          3HD2      LEU  29   4.460  -4.588  -1.420
  224   HD22  LEU  29          1HD2      LEU  29   3.842  -3.381  -2.547
  225   HD23  LEU  29          2HD2      LEU  29   5.231  -4.372  -2.991
  226    H    LEU  30           H        LEU  30   7.156  -6.086  -5.143
  227    HA   LEU  30           HA       LEU  30   9.262  -7.134  -5.205
  228    HG   LEU  30           HG       LEU  30  10.768  -8.437  -3.854
  229    HB2  LEU  30           2HB      LEU  30   8.059  -7.609  -2.792
  230    HB3  LEU  30           1HB      LEU  30   8.398  -9.254  -3.329
  231   HD11  LEU  30          1HD1      LEU  30  10.458  -6.062  -3.844
  232   HD12  LEU  30          2HD1      LEU  30  11.415  -6.437  -2.411
  233   HD13  LEU  30          3HD1      LEU  30   9.690  -6.102  -2.257
  234   HD21  LEU  30          3HD2      LEU  30  10.055  -8.209  -0.927
  235   HD22  LEU  30          1HD2      LEU  30  11.500  -8.917  -1.649
  236   HD23  LEU  30          2HD2      LEU  30   9.950  -9.748  -1.781
  237    H    GLY  31           H        GLY  31   7.081  -8.137  -7.045
  238    HA2  GLY  31           2HA      GLY  31   7.254  -9.743  -8.802
  239    HA3  GLY  31           1HA      GLY  31   8.453 -10.619  -7.854
  240    H    HIS  32           H        HIS  32   6.114 -10.126  -5.631
  241    HA   HIS  32           HA       HIS  32   4.968 -12.818  -6.051
  242    HD1  HIS  32           HD1      HIS  32   6.411 -14.118  -4.640
  243    HD2  HIS  32           HD2      HIS  32   7.143 -10.581  -2.563
  244    HE1  HIS  32           HE1      HIS  32   8.758 -14.308  -3.707
  245    HB2  HIS  32           2HB      HIS  32   4.711 -10.787  -3.807
  246    HB3  HIS  32           1HB      HIS  32   4.189 -12.467  -3.733
  247    H    GLU  33           H        GLU  33   2.611 -13.135  -5.900
  248    HA   GLU  33           HA       GLU  33   1.111 -11.066  -7.362
  249    HB2  GLU  33           2HB      GLU  33   1.126 -13.839  -7.197
  250    HB3  GLU  33           1HB      GLU  33  -0.342 -13.397  -6.325
  251    HG2  GLU  33           2HG      GLU  33  -0.939 -11.908  -8.289
  252    HG3  GLU  33           1HG      GLU  33   0.407 -12.643  -9.160
  253    H    CYS  34           H        CYS  34  -0.464  -9.738  -6.467
  254    HA   CYS  34           HA       CYS  34  -1.301 -10.199  -3.641
  255    HB2  CYS  34           2HB      CYS  34  -0.068  -7.701  -4.836
  256    HB3  CYS  34           1HB      CYS  34  -0.838  -7.748  -3.252
  257    H    LYS  35           H        LYS  35  -3.168  -8.712  -3.079
  258    HA   LYS  35           HA       LYS  35  -4.831  -8.097  -5.495
  259    HB2  LYS  35           2HB      LYS  35  -5.422 -10.133  -4.103
  260    HB3  LYS  35           1HB      LYS  35  -5.784  -9.027  -2.778
  261    HG2  LYS  35           2HG      LYS  35  -7.880  -9.049  -3.691
  262    HG3  LYS  35           1HG      LYS  35  -7.190  -7.841  -4.773
  263    HD2  LYS  35           2HD      LYS  35  -6.804  -9.438  -6.490
  264    HD3  LYS  35           1HD      LYS  35  -7.043 -10.796  -5.390
  265    HE2  LYS  35           2HE      LYS  35  -9.280  -8.824  -5.876
  266    HE3  LYS  35           1HE      LYS  35  -9.010 -10.180  -6.988
  267    HZ1  LYS  35           3HZ      LYS  35  -9.000 -11.677  -5.053
  268    HZ2  LYS  35           1HZ      LYS  35 -10.485 -10.877  -5.225
  269    HZ3  LYS  35           2HZ      LYS  35  -9.380 -10.366  -4.040
  270    H    PHE  36           H        PHE  36  -4.979  -5.913  -5.635
  271    HA   PHE  36           HA       PHE  36  -5.289  -4.296  -3.126
  272    HD1  PHE  36           HD2      PHE  36  -5.630  -2.361  -2.790
  273    HD2  PHE  36           HD1      PHE  36  -2.901  -1.433  -5.978
  274    HE1  PHE  36           HE2      PHE  36  -5.739   0.038  -2.191
  275    HE2  PHE  36           HE1      PHE  36  -3.011   0.964  -5.369
  276    HZ   PHE  36           HZ       PHE  36  -4.426   1.696  -3.478
  277    HB2  PHE  36           2HB      PHE  36  -3.238  -3.929  -4.479
  278    HB3  PHE  36           1HB      PHE  36  -4.227  -3.608  -5.894
  279    H    THR  37           H        THR  37  -7.306  -3.266  -2.933
  280    HA   THR  37           HA       THR  37  -8.896  -2.830  -5.429
  281    HB   THR  37           HB       THR  37 -10.844  -3.668  -3.799
  282    HG1  THR  37           HG1      THR  37  -8.658  -5.262  -2.977
  283   HG21  THR  37          3HG2      THR  37 -10.546  -4.732  -5.884
  284   HG22  THR  37          1HG2      THR  37 -10.341  -6.028  -4.706
  285   HG23  THR  37          2HG2      THR  37  -8.928  -5.295  -5.464
  286    H    VAL  38           H        VAL  38 -10.726  -1.344  -5.109
  287    HA   VAL  38           HA       VAL  38 -10.458   0.479  -2.753
  288    HB   VAL  38           HB       VAL  38  -9.289   1.207  -4.924
  289   HG11  VAL  38          1HG1      VAL  38 -10.695   2.091  -6.701
  290   HG12  VAL  38          2HG1      VAL  38 -12.155   1.686  -5.799
  291   HG13  VAL  38          3HG1      VAL  38 -11.124   0.402  -6.430
  292   HG21  VAL  38          3HG2      VAL  38 -10.022   2.735  -3.045
  293   HG22  VAL  38          1HG2      VAL  38 -11.501   3.040  -3.957
  294   HG23  VAL  38          2HG2      VAL  38  -9.939   3.511  -4.626
  295    H    LYS  39           H        LYS  39 -12.474   1.557  -2.186
  296    HA   LYS  39           HA       LYS  39 -14.914   0.948  -3.727
  297    HB2  LYS  39           2HB      LYS  39 -14.007  -0.860  -1.828
  298    HB3  LYS  39           1HB      LYS  39 -15.183   0.097  -0.926
  299    HG2  LYS  39           2HG      LYS  39 -16.947  -0.469  -2.376
  300    HG3  LYS  39           1HG      LYS  39 -15.851  -0.951  -3.670
  301    HD2  LYS  39           2HD      LYS  39 -15.670  -2.453  -1.097
  302    HD3  LYS  39           1HD      LYS  39 -17.079  -2.755  -2.113
  303    HE2  LYS  39           2HE      LYS  39 -15.071  -2.820  -3.983
  304    HE3  LYS  39           1HE      LYS  39 -14.252  -3.501  -2.564
  305    HZ1  LYS  39           3HZ      LYS  39 -15.386  -5.284  -3.625
  306    HZ2  LYS  39           1HZ      LYS  39 -16.822  -4.391  -3.763
  307    HZ3  LYS  39           2HZ      LYS  39 -16.283  -4.902  -2.234
  308    HA   PRO  40           HA       PRO  40 -15.280   4.929  -1.584
  309    HB2  PRO  40           2HB      PRO  40 -16.845   6.104  -3.486
  310    HB3  PRO  40           1HB      PRO  40 -15.081   5.998  -3.620
  311    HG2  PRO  40           2HG      PRO  40 -17.180   4.398  -4.966
  312    HG3  PRO  40           1HG      PRO  40 -15.596   4.909  -5.561
  313    HD2  PRO  40           2HD      PRO  40 -16.208   2.377  -4.625
  314    HD3  PRO  40           1HD      PRO  40 -14.570   3.053  -4.752
  315    H    TYR  41           H        TYR  41 -17.062   5.843  -0.436
  316    HA   TYR  41           HA       TYR  41 -19.671   4.384  -0.661
  317    HD1  TYR  41           HD1      TYR  41 -19.320   2.325  -0.046
  318    HD2  TYR  41           HD2      TYR  41 -16.596   4.121   2.748
  319    HE1  TYR  41           HE1      TYR  41 -18.005   0.225   0.021
  320    HE2  TYR  41           HE2      TYR  41 -15.282   2.020   2.815
  321    HH   TYR  41           HH       TYR  41 -16.425  -0.908   1.621
  322    HB2  TYR  41           2HB      TYR  41 -18.319   5.417   1.849
  323    HB3  TYR  41           1HB      TYR  41 -19.802   4.480   1.772
  324    H    LEU  42           H        LEU  42 -21.245   5.840   0.910
  325    HA   LEU  42           HA       LEU  42 -20.879   8.710   0.171
  326    HG   LEU  42           HG       LEU  42 -22.636   9.931  -0.660
  327    HB2  LEU  42           2HB      LEU  42 -22.379   7.014  -1.312
  328    HB3  LEU  42           1HB      LEU  42 -23.583   7.514  -0.125
  329   HD11  LEU  42          1HD1      LEU  42 -20.850   8.997  -2.158
  330   HD12  LEU  42          2HD1      LEU  42 -21.897  10.167  -2.961
  331   HD13  LEU  42          3HD1      LEU  42 -22.119   8.442  -3.251
  332   HD21  LEU  42          3HD2      LEU  42 -24.408  10.183  -2.334
  333   HD22  LEU  42          1HD2      LEU  42 -24.960   9.112  -1.047
  334   HD23  LEU  42          2HD2      LEU  42 -24.441   8.439  -2.593
  335    H    LYS  43           H        LYS  43 -21.792  10.151   1.630
  336    HA   LYS  43           HA       LYS  43 -23.033   8.992   4.102
  337    HB2  LYS  43           2HB      LYS  43 -20.682  10.214   3.962
  338    HB3  LYS  43           1HB      LYS  43 -21.675  11.671   3.945
  339    HG2  LYS  43           2HG      LYS  43 -22.549  11.258   6.083
  340    HG3  LYS  43           1HG      LYS  43 -22.163   9.539   6.014
  341    HD2  LYS  43           2HD      LYS  43 -20.512  10.391   7.456
  342    HD3  LYS  43           1HD      LYS  43 -19.685  10.329   5.900
  343    HE2  LYS  43           2HE      LYS  43 -20.051  12.705   5.536
  344    HE3  LYS  43           1HE      LYS  43 -21.071  12.809   6.984
  345    HZ1  LYS  43           3HZ      LYS  43 -19.279  12.369   8.382
  346    HZ2  LYS  43           1HZ      LYS  43 -18.607  13.412   7.224
  347    HZ3  LYS  43           2HZ      LYS  43 -18.314  11.741   7.130
  348    H    ARG  44           H        ARG  44 -24.432  10.772   5.229
  349    HA   ARG  44           HA       ARG  44 -26.728  11.409   3.823
  350    HE   ARG  44           HE       ARG  44 -29.100  11.752   7.920
  351    HB2  ARG  44           2HB      ARG  44 -25.291  12.717   6.127
  352    HB3  ARG  44           1HB      ARG  44 -26.853  13.326   5.579
  353    HG2  ARG  44           2HG      ARG  44 -27.933  11.242   6.034
  354    HG3  ARG  44           1HG      ARG  44 -26.392  10.414   6.260
  355    HD2  ARG  44           2HD      ARG  44 -26.205  11.117   8.423
  356    HD3  ARG  44           1HD      ARG  44 -26.772  12.753   8.030
  357   HH11  ARG  44          2HH1      ARG  44 -28.365  11.865  10.762
  358   HH12  ARG  44          1HH1      ARG  44 -28.610  10.238  11.303
  359   HH21  ARG  44          1HH2      ARG  44 -28.632   8.901   8.093
  360   HH22  ARG  44          2HH2      ARG  44 -28.761   8.552   9.784
  361    H    PHE  45           H        PHE  45 -23.727  13.283   3.890
  362    HA   PHE  45           HA       PHE  45 -24.588  14.799   1.516
  363    HD1  PHE  45           HD2      PHE  45 -22.034  16.235   4.464
  364    HD2  PHE  45           HD1      PHE  45 -26.207  15.601   5.267
  365    HE1  PHE  45           HE2      PHE  45 -21.529  15.958   6.876
  366    HE2  PHE  45           HE1      PHE  45 -25.701  15.325   7.679
  367    HZ   PHE  45           HZ       PHE  45 -23.362  15.503   8.483
  368    HB2  PHE  45           2HB      PHE  45 -23.935  16.960   2.852
  369    HB3  PHE  45           1HB      PHE  45 -25.529  16.256   3.110
  370    H    GLN  46           H        GLN  46 -22.477  12.882   1.890
  371    HA   GLN  46           HA       GLN  46 -20.162  14.527   1.079
  372    HB2  GLN  46           2HB      GLN  46 -20.569  13.599   3.776
  373    HB3  GLN  46           1HB      GLN  46 -19.172  12.770   3.093
  374    HG2  GLN  46           2HG      GLN  46 -18.318  15.033   2.339
  375    HG3  GLN  46           1HG      GLN  46 -19.614  15.760   3.290
  376   HE21  GLN  46          1HE2      GLN  46 -16.399  14.561   3.475
  377   HE22  GLN  46          2HE2      GLN  46 -16.270  14.520   5.167
  378    H    VAL  47           H        VAL  47 -18.264  13.040   0.527
  379    HA   VAL  47           HA       VAL  47 -19.146  10.287  -0.271
  380    HB   VAL  47           HB       VAL  47 -17.627  12.341  -1.925
  381   HG11  VAL  47          1HG1      VAL  47 -16.833  10.092  -2.412
  382   HG12  VAL  47          2HG1      VAL  47 -17.870  10.621  -3.736
  383   HG13  VAL  47          3HG1      VAL  47 -18.488   9.494  -2.528
  384   HG21  VAL  47          3HG2      VAL  47 -20.463  11.300  -1.977
  385   HG22  VAL  47          1HG2      VAL  47 -19.713  11.974  -3.423
  386   HG23  VAL  47          2HG2      VAL  47 -19.909  12.974  -1.984
  387    H    TYR  48           H        TYR  48 -17.695   8.819   0.572
  388    HA   TYR  48           HA       TYR  48 -14.945   9.809   1.241
  389    HD1  TYR  48           HD1      TYR  48 -17.929  10.097   3.313
  390    HD2  TYR  48           HD2      TYR  48 -13.791   9.178   4.008
  391    HE1  TYR  48           HE1      TYR  48 -17.805  11.925   4.984
  392    HE2  TYR  48           HE2      TYR  48 -13.666  11.003   5.681
  393    HH   TYR  48           HH       TYR  48 -15.671  12.202   7.249
  394    HB2  TYR  48           2HB      TYR  48 -16.939   7.990   2.526
  395    HB3  TYR  48           1HB      TYR  48 -15.229   7.641   2.782
  396    H    TYR  49           H        TYR  49 -13.160   8.504   0.697
  397    HA   TYR  49           HA       TYR  49 -13.721   6.318  -1.272
  398    HD1  TYR  49           HD2      TYR  49 -14.213   8.770  -2.644
  399    HD2  TYR  49           HD1      TYR  49 -10.803   6.333  -3.587
  400    HE1  TYR  49           HE2      TYR  49 -14.935   8.677  -5.014
  401    HE2  TYR  49           HE1      TYR  49 -11.522   6.242  -5.958
  402    HH   TYR  49           HH       TYR  49 -14.102   6.549  -7.106
  403    HB2  TYR  49           2HB      TYR  49 -11.993   8.639  -1.191
  404    HB3  TYR  49           1HB      TYR  49 -11.036   7.179  -1.426
  405    H    LYS  50           H        LYS  50 -13.390   4.330  -0.391
  406    HA   LYS  50           HA       LYS  50 -11.338   4.020   1.771
  407    HB2  LYS  50           2HB      LYS  50 -13.838   3.535   2.126
  408    HB3  LYS  50           1HB      LYS  50 -13.613   2.155   1.053
  409    HG2  LYS  50           2HG      LYS  50 -11.534   2.254   3.088
  410    HG3  LYS  50           1HG      LYS  50 -13.140   2.209   3.815
  411    HD2  LYS  50           2HD      LYS  50 -13.513   0.338   1.932
  412    HD3  LYS  50           1HD      LYS  50 -11.769   0.169   2.124
  413    HE2  LYS  50           2HE      LYS  50 -13.470   0.288   4.600
  414    HE3  LYS  50           1HE      LYS  50 -13.404  -1.226   3.678
  415    HZ1  LYS  50           3HZ      LYS  50 -11.564  -1.414   5.046
  416    HZ2  LYS  50           1HZ      LYS  50 -11.203   0.243   4.985
  417    HZ3  LYS  50           2HZ      LYS  50 -10.873  -0.747   3.644
  418    H    GLY  51           H        GLY  51 -10.123   1.926   1.690
  419    HA2  GLY  51           2HA      GLY  51 -10.131   0.380  -0.768
  420    HA3  GLY  51           1HA      GLY  51  -8.742   1.456  -0.659
  421    H    ARG  52           H        ARG  52  -8.604  -1.404  -0.681
  422    HA   ARG  52           HA       ARG  52  -7.099  -1.825   1.830
  423    HE   ARG  52           HE       ARG  52 -10.567  -5.163   3.122
  424    HB2  ARG  52           2HB      ARG  52  -9.409  -2.468   2.372
  425    HB3  ARG  52           1HB      ARG  52  -9.468  -3.511   0.950
  426    HG2  ARG  52           2HG      ARG  52  -8.449  -5.194   2.054
  427    HG3  ARG  52           1HG      ARG  52  -7.148  -4.129   2.586
  428    HD2  ARG  52           2HD      ARG  52  -8.064  -4.603   4.657
  429    HD3  ARG  52           1HD      ARG  52  -9.126  -3.253   4.215
  430   HH11  ARG  52          2HH1      ARG  52 -10.749  -4.528   6.155
  431   HH12  ARG  52          1HH1      ARG  52 -10.781  -6.133   6.804
  432   HH21  ARG  52          1HH2      ARG  52  -9.690  -7.626   3.857
  433   HH22  ARG  52          2HH2      ARG  52 -10.180  -7.897   5.497
  434    H    MET  53           H        MET  53  -5.378  -3.278   1.479
  435    HA   MET  53           HA       MET  53  -5.424  -4.915  -1.005
  436    HB2  MET  53           2HB      MET  53  -3.425  -3.948  -1.833
  437    HB3  MET  53           1HB      MET  53  -4.389  -2.581  -1.294
  438    HG2  MET  53           2HG      MET  53  -2.539  -1.969  -0.135
  439    HG3  MET  53           1HG      MET  53  -2.997  -3.242   0.995
  440    HE1  MET  53           3HE      MET  53   0.013  -2.510  -1.929
  441    HE2  MET  53           1HE      MET  53  -1.718  -2.501  -2.296
  442    HE3  MET  53           2HE      MET  53  -0.716  -3.863  -2.790
  443    H    TRP  54           H        TRP  54  -4.096  -6.742  -0.924
  444    HA   TRP  54           HA       TRP  54  -2.359  -7.239   1.409
  445    HD1  TRP  54           HD1      TRP  54  -4.486 -10.913   0.133
  446    HE1  TRP  54           HE1      TRP  54  -6.652 -11.045  -1.264
  447    HE3  TRP  54           HE3      TRP  54  -6.461  -6.306   1.121
  448    HZ2  TRP  54           HZ2      TRP  54  -8.914  -9.407  -1.886
  449    HZ3  TRP  54           HZ3      TRP  54  -8.615  -5.617   0.110
  450    HH2  TRP  54           HH2      TRP  54  -9.843  -7.160  -1.390
  451    HB2  TRP  54           2HB      TRP  54  -3.694  -9.269   2.043
  452    HB3  TRP  54           1HB      TRP  54  -4.586  -7.768   2.273
  453    H    CYS  55           H        CYS  55  -1.391  -9.557   1.178
  454    HA   CYS  55           HA       CYS  55  -1.126 -10.190  -1.736
  455    HB2  CYS  55           2HB      CYS  55   0.861 -10.071   0.519
  456    HB3  CYS  55           1HB      CYS  55   1.230 -10.898  -0.989
  457    HA   PRO  56           HA       PRO  56  -2.594 -14.035   0.241
  458    HB2  PRO  56           2HB      PRO  56  -4.185 -14.809  -1.849
  459    HB3  PRO  56           1HB      PRO  56  -4.731 -13.693  -0.583
  460    HG2  PRO  56           2HG      PRO  56  -3.871 -13.126  -3.359
  461    HG3  PRO  56           1HG      PRO  56  -5.077 -12.307  -2.357
  462    HD2  PRO  56           2HD      PRO  56  -2.516 -11.382  -2.847
  463    HD3  PRO  56           1HD      PRO  56  -3.548 -10.861  -1.512
  464    H    GLY  57           H        GLY  57  -0.323 -14.695  -0.095
  465    HA2  GLY  57           2HA      GLY  57   0.191 -16.978  -1.493
  466    HA3  GLY  57           1HA      GLY  57   0.483 -15.737  -2.713
  467    H    TRP  58           H        TRP  58   1.646 -13.718  -1.232
  468    HA   TRP  58           HA       TRP  58   4.351 -14.700  -0.856
  469    HD1  TRP  58           HD1      TRP  58   6.168 -14.144  -0.091
  470    HE1  TRP  58           HE1      TRP  58   8.250 -12.704   0.383
  471    HE3  TRP  58           HE3      TRP  58   4.171  -9.478  -0.672
  472    HZ2  TRP  58           HZ2      TRP  58   8.978  -9.942   0.500
  473    HZ3  TRP  58           HZ3      TRP  58   5.580  -7.462  -0.373
  474    HH2  TRP  58           HH2      TRP  58   7.980  -7.688   0.211
  475    HB2  TRP  58           2HB      TRP  58   3.617 -12.446  -1.739
  476    HB3  TRP  58           1HB      TRP  58   3.117 -12.029  -0.106
  477    H    THR  59           H        THR  59   1.991 -13.188   1.390
  478    HA   THR  59           HA       THR  59   2.954 -14.913   3.584
  479    HB   THR  59           HB       THR  59   4.499 -12.955   3.466
  480    HG1  THR  59           HG1      THR  59   4.429 -13.454   5.505
  481   HG21  THR  59          3HG2      THR  59   2.067 -11.283   4.145
  482   HG22  THR  59          1HG2      THR  59   2.731 -11.403   2.516
  483   HG23  THR  59          2HG2      THR  59   3.703 -10.714   3.816
  484    H    ALA  60           H        ALA  60   1.722 -13.437   5.670
  485    HA   ALA  60           HA       ALA  60  -1.157 -13.430   4.827
  486    HB1  ALA  60           3HB      ALA  60   0.068 -14.307   7.463
  487    HB2  ALA  60           1HB      ALA  60  -0.381 -15.407   6.160
  488    HB3  ALA  60           2HB      ALA  60  -1.624 -14.470   6.990
  489    H    ILE  61           H        ILE  61  -0.426 -11.007   4.553
  490    HA   ILE  61           HA       ILE  61  -1.056  -9.585   7.106
  491    HB   ILE  61           HB       ILE  61   1.261  -9.181   5.198
  492   HG12  ILE  61          2HG1      ILE  61   1.083  -9.438   8.220
  493   HG13  ILE  61          1HG1      ILE  61   1.557 -10.729   7.116
  494   HG21  ILE  61          1HG2      ILE  61   0.287  -6.972   5.541
  495   HG22  ILE  61          2HG2      ILE  61   1.759  -7.099   6.504
  496   HG23  ILE  61          3HG2      ILE  61   0.182  -7.253   7.279
  497   HD11  ILE  61          3HD1      ILE  61   3.382  -9.119   6.283
  498   HD12  ILE  61          1HD1      ILE  61   3.607  -9.814   7.889
  499   HD13  ILE  61          2HD1      ILE  61   3.023  -8.159   7.718
  500    H    ARG  62           H        ARG  62  -2.029  -7.462   6.738
  501    HA   ARG  62           HA       ARG  62  -2.841  -6.866   3.936
  502    HE   ARG  62           HE       ARG  62  -5.635  -9.840   8.184
  503    HB2  ARG  62           2HB      ARG  62  -5.172  -6.434   4.970
  504    HB3  ARG  62           1HB      ARG  62  -4.692  -8.106   4.712
  505    HG2  ARG  62           2HG      ARG  62  -3.917  -8.185   7.103
  506    HG3  ARG  62           1HG      ARG  62  -4.578  -6.565   7.322
  507    HD2  ARG  62           2HD      ARG  62  -6.525  -7.617   7.868
  508    HD3  ARG  62           1HD      ARG  62  -6.680  -7.965   6.135
  509   HH11  ARG  62          2HH1      ARG  62  -7.846 -10.578   6.318
  510   HH12  ARG  62          1HH1      ARG  62  -7.026 -11.531   5.128
  511   HH21  ARG  62          1HH2      ARG  62  -3.865 -10.392   6.019
  512   HH22  ARG  62          2HH2      ARG  62  -4.761 -11.425   4.957
  513    H    GLY  63           H        GLY  63  -3.836  -4.673   3.773
  514    HA2  GLY  63           2HA      GLY  63  -3.401  -2.785   5.969
  515    HA3  GLY  63           1HA      GLY  63  -2.279  -2.578   4.627
  516    H    GLU  64           H        GLU  64  -4.949  -1.244   5.769
  517    HA   GLU  64           HA       GLU  64  -5.976  -0.586   3.045
  518    HB2  GLU  64           2HB      GLU  64  -8.277  -0.738   4.046
  519    HB3  GLU  64           1HB      GLU  64  -7.430  -2.280   3.996
  520    HG2  GLU  64           2HG      GLU  64  -7.188  -2.379   6.286
  521    HG3  GLU  64           1HG      GLU  64  -7.096  -0.626   6.457
  522    H    ALA  65           H        ALA  65  -7.301   1.439   3.067
  523    HA   ALA  65           HA       ALA  65  -6.983   3.244   5.378
  524    HB1  ALA  65           3HB      ALA  65  -5.359   3.342   2.859
  525    HB2  ALA  65           1HB      ALA  65  -4.853   3.643   4.522
  526    HB3  ALA  65           2HB      ALA  65  -5.789   4.858   3.650
  527    H    SER  66           H        SER  66  -8.116   5.324   4.996
  528    HA   SER  66           HA       SER  66  -9.910   5.396   2.615
  529    HG   SER  66           HG       SER  66 -10.662   3.650   5.555
  530    HB2  SER  66           2HB      SER  66 -10.900   5.728   5.454
  531    HB3  SER  66           1HB      SER  66 -11.868   5.563   3.996
  532    H    THR  67           H        THR  67 -10.687   7.526   2.150
  533    HA   THR  67           HA       THR  67 -10.261   9.819   3.853
  534    HB   THR  67           HB       THR  67  -7.909   9.197   3.324
  535    HG1  THR  67           HG1      THR  67  -7.788  11.278   3.496
  536   HG21  THR  67          3HG2      THR  67  -8.480   9.916   0.454
  537   HG22  THR  67          1HG2      THR  67  -8.609   8.251   1.020
  538   HG23  THR  67          2HG2      THR  67  -7.068   9.100   1.125
  539    H    ARG  68           H        ARG  68 -10.245  11.905   2.238
  540    HA   ARG  68           HA       ARG  68 -12.656  11.606   0.580
  541    HE   ARG  68           HE       ARG  68 -12.217  12.320   4.042
  542    HB2  ARG  68           2HB      ARG  68 -10.899  13.810   1.612
  543    HB3  ARG  68           1HB      ARG  68 -11.984  14.159   0.266
  544    HG2  ARG  68           2HG      ARG  68 -13.787  14.186   1.619
  545    HG3  ARG  68           1HG      ARG  68 -13.346  12.638   2.338
  546    HD2  ARG  68           2HD      ARG  68 -11.692  14.984   3.152
  547    HD3  ARG  68           1HD      ARG  68 -13.352  14.922   3.774
  548   HH11  ARG  68          2HH1      ARG  68 -13.542  13.543   6.341
  549   HH12  ARG  68          1HH1      ARG  68 -12.233  13.919   7.412
  550   HH21  ARG  68          1HH2      ARG  68  -9.795  13.657   4.948
  551   HH22  ARG  68          2HH2      ARG  68 -10.103  13.989   6.621
  552    H    SER  69           H        SER  69  -9.178  12.057   0.086
  553    HA   SER  69           HA       SER  69  -9.259  12.732  -2.707
  554    HG   SER  69           HG       SER  69  -6.331  11.596  -0.197
  555    HB2  SER  69           2HB      SER  69  -6.851  11.447  -2.272
  556    HB3  SER  69           1HB      SER  69  -7.156  13.148  -1.949
  557    H    GLN  70           H        GLN  70  -9.058  11.376  -4.533
  558    HA   GLN  70           HA       GLN  70 -10.108   8.648  -4.240
  559    HB2  GLN  70           2HB      GLN  70  -9.220  10.312  -6.620
  560    HB3  GLN  70           1HB      GLN  70 -10.046   8.759  -6.740
  561    HG2  GLN  70           2HG      GLN  70 -11.987   9.674  -5.546
  562    HG3  GLN  70           1HG      GLN  70 -11.162  11.222  -5.362
  563   HE21  GLN  70          1HE2      GLN  70 -10.293  12.077  -7.667
  564   HE22  GLN  70          2HE2      GLN  70 -11.422  11.968  -8.929
  565    H    SER  71           H        SER  71  -7.182  10.063  -5.760
  566    HA   SER  71           HA       SER  71  -5.857   7.489  -6.035
  567    HG   SER  71           HG       SER  71  -5.306  10.019  -8.407
  568    HB2  SER  71           2HB      SER  71  -4.545  10.206  -6.088
  569    HB3  SER  71           1HB      SER  71  -4.149   8.782  -7.043
  570    H    GLY  72           H        GLY  72  -5.845  10.088  -3.640
  571    HA2  GLY  72           2HA      GLY  72  -3.479   9.422  -2.223
  572    HA3  GLY  72           1HA      GLY  72  -4.879  10.221  -1.510
  573    H    VAL  73           H        VAL  73  -6.790   8.106  -1.922
  574    HA   VAL  73           HA       VAL  73  -6.301   6.496   0.397
  575    HB   VAL  73           HB       VAL  73  -8.481   7.164  -0.958
  576   HG11  VAL  73          1HG1      VAL  73  -7.686   5.793  -2.964
  577   HG12  VAL  73          2HG1      VAL  73  -9.331   5.478  -2.416
  578   HG13  VAL  73          3HG1      VAL  73  -8.033   4.360  -1.997
  579   HG21  VAL  73          3HG2      VAL  73  -7.863   4.764   0.715
  580   HG22  VAL  73          1HG2      VAL  73  -9.469   4.882  -0.003
  581   HG23  VAL  73          2HG2      VAL  73  -8.892   6.149   1.079
  582    H    ALA  74           H        ALA  74  -5.711   5.912  -3.054
  583    HA   ALA  74           HA       ALA  74  -5.158   3.105  -2.879
  584    HB1  ALA  74           3HB      ALA  74  -5.571   4.654  -4.913
  585    HB2  ALA  74           1HB      ALA  74  -4.353   3.392  -5.100
  586    HB3  ALA  74           2HB      ALA  74  -3.858   5.055  -4.788
  587    H    GLY  75           H        GLY  75  -2.984   5.949  -2.770
  588    HA2  GLY  75           2HA      GLY  75  -0.596   4.406  -2.308
  589    HA3  GLY  75           1HA      GLY  75  -0.768   6.137  -2.009
  590    H    LYS  76           H        LYS  76  -3.088   5.790  -0.243
  591    HA   LYS  76           HA       LYS  76  -1.726   5.455   2.271
  592    HB2  LYS  76           2HB      LYS  76  -3.806   6.859   1.547
  593    HB3  LYS  76           1HB      LYS  76  -4.712   5.375   1.840
  594    HG2  LYS  76           2HG      LYS  76  -4.798   6.601   3.886
  595    HG3  LYS  76           1HG      LYS  76  -3.612   5.321   4.145
  596    HD2  LYS  76           2HD      LYS  76  -1.945   7.197   3.217
  597    HD3  LYS  76           1HD      LYS  76  -3.196   8.264   3.858
  598    HE2  LYS  76           2HE      LYS  76  -1.713   7.929   5.696
  599    HE3  LYS  76           1HE      LYS  76  -3.047   6.801   6.009
  600    HZ1  LYS  76           3HZ      LYS  76  -1.647   5.218   4.527
  601    HZ2  LYS  76           1HZ      LYS  76  -1.223   5.420   6.156
  602    HZ3  LYS  76           2HZ      LYS  76  -0.354   6.238   4.948
  603    H    THR  77           H        THR  77  -3.990   3.392   0.416
  604    HA   THR  77           HA       THR  77  -4.250   1.310   2.378
  605    HB   THR  77           HB       THR  77  -4.558   1.515  -0.628
  606    HG1  THR  77           HG1      THR  77  -6.257   2.439   0.254
  607   HG21  THR  77          3HG2      THR  77  -5.830  -0.711  -0.334
  608   HG22  THR  77          1HG2      THR  77  -4.915  -0.885   1.163
  609   HG23  THR  77          2HG2      THR  77  -4.069  -0.782  -0.380
  610    H    ALA  78           H        ALA  78  -1.982   1.788  -0.336
  611    HA   ALA  78           HA       ALA  78  -0.606  -0.733  -0.001
  612    HB1  ALA  78           3HB      ALA  78  -0.691   0.735  -2.050
  613    HB2  ALA  78           1HB      ALA  78   0.945   0.255  -1.596
  614    HB3  ALA  78           2HB      ALA  78   0.362   1.875  -1.212
  615    H    LYS  79           H        LYS  79  -0.151   2.530   1.310
  616    HA   LYS  79           HA       LYS  79   2.437   2.103   2.494
  617    HB2  LYS  79           2HB      LYS  79   1.069   4.249   1.988
  618    HB3  LYS  79           1HB      LYS  79   0.271   3.937   3.527
  619    HG2  LYS  79           2HG      LYS  79   2.250   4.235   4.759
  620    HG3  LYS  79           1HG      LYS  79   3.278   3.970   3.350
  621    HD2  LYS  79           2HD      LYS  79   1.396   6.330   3.571
  622    HD3  LYS  79           1HD      LYS  79   3.070   6.394   4.121
  623    HE2  LYS  79           2HE      LYS  79   3.636   6.928   1.985
  624    HE3  LYS  79           1HE      LYS  79   3.202   5.265   1.542
  625    HZ1  LYS  79           3HZ      LYS  79   1.338   7.579   1.690
  626    HZ2  LYS  79           1HZ      LYS  79   0.882   5.982   1.346
  627    HZ3  LYS  79           2HZ      LYS  79   1.884   6.829   0.267
  628    H    ASP  80           H        ASP  80  -0.895   1.688   3.716
  629    HA   ASP  80           HA       ASP  80  -0.149   1.047   6.425
  630    HB2  ASP  80           2HB      ASP  80  -2.538   0.930   4.667
  631    HB3  ASP  80           1HB      ASP  80  -2.554  -0.173   6.044
  632    H    PHE  81           H        PHE  81  -0.661  -0.943   3.512
  633    HA   PHE  81           HA       PHE  81  -0.383  -3.496   4.838
  634    HD1  PHE  81           HD1      PHE  81   2.093  -3.819   1.580
  635    HD2  PHE  81           HD2      PHE  81  -1.494  -5.699   3.012
  636    HE1  PHE  81           HE1      PHE  81   3.026  -6.040   1.000
  637    HE2  PHE  81           HE2      PHE  81  -0.558  -7.920   2.432
  638    HZ   PHE  81           HZ       PHE  81   1.700  -8.092   1.426
  639    HB2  PHE  81           2HB      PHE  81  -1.405  -3.295   2.645
  640    HB3  PHE  81           1HB      PHE  81   0.038  -2.522   1.991
  641    H    VAL  82           H        VAL  82   1.932  -1.294   3.241
  642    HA   VAL  82           HA       VAL  82   4.227  -3.016   3.499
  643    HB   VAL  82           HB       VAL  82   3.825  -0.025   3.189
  644   HG11  VAL  82          1HG1      VAL  82   6.333  -1.654   3.448
  645   HG12  VAL  82          2HG1      VAL  82   5.986  -0.032   4.050
  646   HG13  VAL  82          3HG1      VAL  82   6.318  -0.284   2.337
  647   HG21  VAL  82          3HG2      VAL  82   3.301  -1.949   1.397
  648   HG22  VAL  82          1HG2      VAL  82   5.036  -1.807   1.117
  649   HG23  VAL  82          2HG2      VAL  82   3.992  -0.400   0.914
  650    H    ARG  83           H        ARG  83   2.784  -0.536   5.615
  651    HA   ARG  83           HA       ARG  83   4.911  -0.443   7.546
  652    HE   ARG  83           HE       ARG  83   1.514   2.297   9.734
  653    HB2  ARG  83           2HB      ARG  83   2.479   0.809   7.056
  654    HB3  ARG  83           1HB      ARG  83   2.185  -0.057   8.563
  655    HG2  ARG  83           2HG      ARG  83   3.700   1.201   9.744
  656    HG3  ARG  83           1HG      ARG  83   4.772   1.401   8.358
  657    HD2  ARG  83           2HD      ARG  83   3.676   3.552   8.996
  658    HD3  ARG  83           1HD      ARG  83   3.190   3.036   7.369
  659   HH11  ARG  83          2HH1      ARG  83   1.556   2.524   6.399
  660   HH12  ARG  83          1HH1      ARG  83   0.047   3.365   6.251
  661   HH21  ARG  83          1HH2      ARG  83  -0.275   3.921   9.671
  662   HH22  ARG  83          2HH2      ARG  83  -0.997   4.149   8.114
  663    H    LYS  84           H        LYS  84   1.999  -2.503   7.277
  664    HA   LYS  84           HA       LYS  84   2.335  -3.828   9.819
  665    HB2  LYS  84           2HB      LYS  84   0.419  -3.694   7.886
  666    HB3  LYS  84           1HB      LYS  84   1.104  -5.282   7.537
  667    HG2  LYS  84           2HG      LYS  84  -0.491  -5.852   9.126
  668    HG3  LYS  84           1HG      LYS  84   0.917  -5.590  10.158
  669    HD2  LYS  84           2HD      LYS  84   0.039  -3.085  10.155
  670    HD3  LYS  84           1HD      LYS  84  -1.498  -3.860   9.771
  671    HE2  LYS  84           2HE      LYS  84  -1.544  -5.061  11.806
  672    HE3  LYS  84           1HE      LYS  84   0.197  -4.851  12.070
  673    HZ1  LYS  84           3HZ      LYS  84  -0.105  -2.513  12.375
  674    HZ2  LYS  84           1HZ      LYS  84  -1.198  -3.307  13.403
  675    HZ3  LYS  84           2HZ      LYS  84  -1.751  -2.608  11.956
  676    H    ALA  85           H        ALA  85   3.456  -4.574   6.515
  677    HA   ALA  85           HA       ALA  85   4.685  -7.112   7.241
  678    HB1  ALA  85           3HB      ALA  85   4.191  -6.971   4.983
  679    HB2  ALA  85           1HB      ALA  85   5.873  -6.442   4.934
  680    HB3  ALA  85           2HB      ALA  85   4.573  -5.250   4.905
  681    H    PHE  86           H        PHE  86   5.741  -3.743   7.181
  682    HA   PHE  86           HA       PHE  86   8.579  -4.313   7.416
  683    HD1  PHE  86           HD2      PHE  86   9.776  -1.571   9.231
  684    HD2  PHE  86           HD1      PHE  86   8.821  -2.147   5.081
  685    HE1  PHE  86           HE2      PHE  86  12.074  -0.882   8.605
  686    HE2  PHE  86           HE1      PHE  86  11.118  -1.457   4.457
  687    HZ   PHE  86           HZ       PHE  86  12.744  -0.827   6.219
  688    HB2  PHE  86           2HB      PHE  86   7.086  -2.156   6.747
  689    HB3  PHE  86           1HB      PHE  86   7.424  -1.763   8.432
  690    H    GLN  87           H        GLN  87   5.943  -3.633   9.737
  691    HA   GLN  87           HA       GLN  87   7.619  -3.426  12.072
  692    HB2  GLN  87           2HB      GLN  87   4.978  -3.046  11.436
  693    HB3  GLN  87           1HB      GLN  87   4.893  -4.537  12.373
  694    HG2  GLN  87           2HG      GLN  87   5.293  -3.443  14.306
  695    HG3  GLN  87           1HG      GLN  87   6.685  -2.608  13.617
  696   HE21  GLN  87          1HE2      GLN  87   6.386  -0.374  13.720
  697   HE22  GLN  87          2HE2      GLN  87   4.905   0.422  13.488
  698    H    LYS  88           H        LYS  88   6.031  -6.187  10.472
  699    HA   LYS  88           HA       LYS  88   6.719  -8.113  12.536
  700    HB2  LYS  88           2HB      LYS  88   5.640  -8.125   9.732
  701    HB3  LYS  88           1HB      LYS  88   6.181  -9.647  10.440
  702    HG2  LYS  88           2HG      LYS  88   4.266  -7.791  11.868
  703    HG3  LYS  88           1HG      LYS  88   3.712  -9.067  10.784
  704    HD2  LYS  88           2HD      LYS  88   3.941 -10.580  12.431
  705    HD3  LYS  88           1HD      LYS  88   5.659 -10.197  12.550
  706    HE2  LYS  88           2HE      LYS  88   4.872  -8.128  13.942
  707    HE3  LYS  88           1HE      LYS  88   3.360  -9.038  14.126
  708    HZ1  LYS  88           3HZ      LYS  88   6.091  -9.814  14.952
  709    HZ2  LYS  88           1HZ      LYS  88   4.904 -10.995  14.679
  710    HZ3  LYS  88           2HZ      LYS  88   4.664  -9.812  15.874
  711    H    GLY  89           H        GLY  89   7.998  -7.559   9.222
  712    HA2  GLY  89           2HA      GLY  89  10.583  -7.416   9.260
  713    HA3  GLY  89           1HA      GLY  89  10.468  -8.996  10.028
  714    H    LEU  90           H        LEU  90   8.819  -7.511   7.202
  715    HA   LEU  90           HA       LEU  90   9.677  -9.906   5.620
  716    HG   LEU  90           HG       LEU  90   7.384 -10.640   7.030
  717    HB2  LEU  90           2HB      LEU  90   7.075  -8.473   5.967
  718    HB3  LEU  90           1HB      LEU  90   7.419  -9.162   4.381
  719   HD11  LEU  90          1HD1      LEU  90   5.344 -11.460   6.412
  720   HD12  LEU  90          2HD1      LEU  90   5.770 -11.513   4.702
  721   HD13  LEU  90          3HD1      LEU  90   5.276  -9.990   5.441
  722   HD21  LEU  90          3HD2      LEU  90   9.070 -11.780   5.895
  723   HD22  LEU  90          1HD2      LEU  90   8.418 -11.374   4.308
  724   HD23  LEU  90          2HD2      LEU  90   7.646 -12.622   5.285
  725    H    ILE  91           H        ILE  91   8.443  -6.560   5.137
  726    HA   ILE  91           HA       ILE  91   9.801  -6.308   2.567
  727    HB   ILE  91           HB       ILE  91   8.329  -4.393   4.409
  728   HG12  ILE  91          2HG1      ILE  91   7.489  -5.466   1.706
  729   HG13  ILE  91          1HG1      ILE  91   7.115  -6.318   3.205
  730   HG21  ILE  91          1HG2      ILE  91   9.778  -2.995   3.132
  731   HG22  ILE  91          2HG2      ILE  91   8.236  -2.963   2.276
  732   HG23  ILE  91          3HG2      ILE  91   9.557  -3.966   1.677
  733   HD11  ILE  91          3HD1      ILE  91   5.217  -4.934   2.727
  734   HD12  ILE  91          1HD1      ILE  91   6.240  -3.536   2.396
  735   HD13  ILE  91          2HD1      ILE  91   6.087  -4.146   4.043
  736    H    SER  92           H        SER  92  12.026  -6.181   2.609
  737    HA   SER  92           HA       SER  92  13.403  -4.766   4.826
  738    HG   SER  92           HG       SER  92  14.370  -8.029   3.770
  739    HB2  SER  92           2HB      SER  92  14.383  -6.366   2.442
  740    HB3  SER  92           1HB      SER  92  15.414  -5.750   3.728
  741    H    GLN  93           H        GLN  93  15.223  -3.250   4.166
  742    HA   GLN  93           HA       GLN  93  14.253  -1.113   2.506
  743    HB2  GLN  93           2HB      GLN  93  16.135  -1.450   4.463
  744    HB3  GLN  93           1HB      GLN  93  17.162  -1.321   3.035
  745    HG2  GLN  93           2HG      GLN  93  16.939   0.920   3.301
  746    HG3  GLN  93           1HG      GLN  93  15.329   0.697   2.616
  747   HE21  GLN  93          1HE2      GLN  93  13.565   0.138   4.317
  748   HE22  GLN  93          2HE2      GLN  93  13.698   0.881   5.836
  749    H    GLN  94           H        GLN  94  16.873  -3.506   1.982
  750    HA   GLN  94           HA       GLN  94  17.602  -2.631  -0.642
  751    HB2  GLN  94           2HB      GLN  94  17.780  -5.328   0.741
  752    HB3  GLN  94           1HB      GLN  94  18.631  -4.923  -0.749
  753    HG2  GLN  94           2HG      GLN  94  18.963  -3.531   1.929
  754    HG3  GLN  94           1HG      GLN  94  20.123  -4.621   1.174
  755   HE21  GLN  94          1HE2      GLN  94  19.801  -1.441   1.734
  756   HE22  GLN  94          2HE2      GLN  94  20.478  -0.795   0.318
  757    H    GLU  95           H        GLU  95  15.286  -5.137   0.431
  758    HA   GLU  95           HA       GLU  95  14.581  -6.125  -2.159
  759    HB2  GLU  95           2HB      GLU  95  13.359  -6.019   0.579
  760    HB3  GLU  95           1HB      GLU  95  12.371  -6.597  -0.760
  761    HG2  GLU  95           2HG      GLU  95  13.700  -8.468  -1.115
  762    HG3  GLU  95           1HG      GLU  95  15.138  -7.702  -0.439
  763    H    ALA  96           H        ALA  96  13.155  -3.507  -0.183
  764    HA   ALA  96           HA       ALA  96  11.033  -2.843  -2.001
  765    HB1  ALA  96           3HB      ALA  96  10.733  -1.939   0.108
  766    HB2  ALA  96           1HB      ALA  96  11.483  -0.544  -0.668
  767    HB3  ALA  96           2HB      ALA  96  12.455  -1.627   0.328
  768    H    ASN  97           H        ASN  97  14.400  -1.734  -1.716
  769    HA   ASN  97           HA       ASN  97  14.239   0.375  -3.671
  770    HB2  ASN  97           2HB      ASN  97  15.997  -0.084  -1.870
  771    HB3  ASN  97           1HB      ASN  97  16.642  -1.322  -2.947
  772   HD21  ASN  97          1HD2      ASN  97  17.828  -0.629  -4.817
  773   HD22  ASN  97          2HD2      ASN  97  18.179   1.003  -5.126
  774    H    GLN  98           H        GLN  98  15.030  -3.101  -3.905
  775    HA   GLN  98           HA       GLN  98  15.818  -3.057  -6.678
  776    HB2  GLN  98           2HB      GLN  98  15.519  -4.911  -4.525
  777    HB3  GLN  98           1HB      GLN  98  14.622  -5.555  -5.899
  778    HG2  GLN  98           2HG      GLN  98  16.847  -6.375  -6.153
  779    HG3  GLN  98           1HG      GLN  98  16.697  -5.052  -7.310
  780   HE21  GLN  98          1HE2      GLN  98  17.788  -5.651  -3.920
  781   HE22  GLN  98          2HE2      GLN  98  19.013  -4.477  -3.954
  782    H    TRP  99           H        TRP  99  12.697  -3.557  -5.029
  783    HA   TRP  99           HA       TRP  99  11.173  -4.241  -7.375
  784    HD1  TRP  99           HD1      TRP  99   9.287  -5.554  -7.432
  785    HE1  TRP  99           HE1      TRP  99   6.766  -5.327  -7.922
  786    HE3  TRP  99           HE3      TRP  99   8.126  -1.688  -4.305
  787    HZ2  TRP  99           HZ2      TRP  99   4.554  -3.713  -7.098
  788    HZ3  TRP  99           HZ3      TRP  99   5.810  -0.833  -4.176
  789    HH2  TRP  99           HH2      TRP  99   4.022  -1.837  -5.570
  790    HB2  TRP  99           2HB      TRP  99  10.575  -4.549  -4.929
  791    HB3  TRP  99           1HB      TRP  99  10.255  -2.817  -4.858
  792    H    LEU 100           H        LEU 100  11.873  -1.139  -5.752
  793    HA   LEU 100           HA       LEU 100  10.215   0.496  -7.451
  794    HG   LEU 100           HG       LEU 100  10.047   0.583  -4.931
  795    HB2  LEU 100           2HB      LEU 100  12.547   0.940  -5.592
  796    HB3  LEU 100           1HB      LEU 100  11.933   2.275  -6.564
  797   HD11  LEU 100          1HD1      LEU 100  10.327   2.016  -3.035
  798   HD12  LEU 100          2HD1      LEU 100  11.369   3.118  -3.935
  799   HD13  LEU 100          3HD1      LEU 100  11.950   1.510  -3.503
  800   HD21  LEU 100          3HD2      LEU 100   8.518   2.151  -5.534
  801   HD22  LEU 100          1HD2      LEU 100   9.692   2.636  -6.758
  802   HD23  LEU 100          2HD2      LEU 100   9.630   3.480  -5.210
  803    H    SER 101           H        SER 101  13.554  -0.668  -7.729
  804    HA   SER 101           HA       SER 101  14.383   1.033  -9.893
  805    HG   SER 101           HG       SER 101  15.741  -0.347  -7.421
  806    HB2  SER 101           2HB      SER 101  15.230  -1.738  -8.986
  807    HB3  SER 101           1HB      SER 101  16.110  -0.784 -10.176
  808    H    SER 102           HN       SER 102  13.295  -2.394  -9.942
  809    HA   SER 102           HA       SER 102  11.946  -1.927 -12.534
  810    HG   SER 102           HG       SER 102  14.041  -4.721 -11.544
  811    HB2  SER 102           2HB      SER 102  13.241  -3.910 -13.480
  812    HB3  SER 102           1HB      SER 102  14.183  -2.443 -13.241
  Start of MODEL    2
    1    HA   GLU   1           HA       GLU   1  19.132  14.987   3.513
    2    H1   GLU   1           1H       GLU   1  20.850  16.712   5.232
    3    H2   GLU   1           2H       GLU   1  19.152  16.667   5.276
    4    H3   GLU   1           3H       GLU   1  19.952  17.237   3.891
    5    HB2  GLU   1           2HB      GLU   1  21.964  15.861   3.545
    6    HB3  GLU   1           1HB      GLU   1  21.725  14.127   3.330
    7    HG2  GLU   1           2HG      GLU   1  21.572  14.808   1.125
    8    HG3  GLU   1           1HG      GLU   1  19.878  14.954   1.595
    9    H    ALA   2           H        ALA   2  19.409  12.678   4.069
   10    HA   ALA   2           HA       ALA   2  20.377  12.166   6.859
   11    HB1  ALA   2           3HB      ALA   2  18.026  12.467   7.088
   12    HB2  ALA   2           1HB      ALA   2  18.242  10.717   7.017
   13    HB3  ALA   2           2HB      ALA   2  17.691  11.597   5.591
   14    H    TYR   3           H        TYR   3  20.471   9.691   7.235
   15    HA   TYR   3           HA       TYR   3  21.561   8.396   4.766
   16    HD1  TYR   3           HD2      TYR   3  23.144   5.925   5.066
   17    HD2  TYR   3           HD1      TYR   3  24.370   9.716   6.672
   18    HE1  TYR   3           HE2      TYR   3  25.267   5.776   3.797
   19    HE2  TYR   3           HE1      TYR   3  26.494   9.566   5.402
   20    HH   TYR   3           HH       TYR   3  27.059   7.981   2.951
   21    HB2  TYR   3           2HB      TYR   3  22.411   8.687   7.481
   22    HB3  TYR   3           1HB      TYR   3  22.121   6.972   7.196
   23    H    VAL   4           H        VAL   4  19.913   7.298   7.772
   24    HA   VAL   4           HA       VAL   4  18.175   5.542   6.065
   25    HB   VAL   4           HB       VAL   4  18.483   3.802   7.837
   26   HG11  VAL   4          1HG1      VAL   4  20.709   3.138   7.162
   27   HG12  VAL   4          2HG1      VAL   4  21.124   4.797   6.734
   28   HG13  VAL   4          3HG1      VAL   4  19.930   3.914   5.783
   29   HG21  VAL   4          3HG2      VAL   4  20.685   5.595   8.895
   30   HG22  VAL   4          1HG2      VAL   4  20.099   4.083   9.587
   31   HG23  VAL   4          2HG2      VAL   4  19.082   5.522   9.625
   32    H    GLN   5           H        GLN   5  17.887   8.199   7.748
   33    HA   GLN   5           HA       GLN   5  15.778   7.339   9.663
   34    HB2  GLN   5           2HB      GLN   5  17.178   9.965   9.057
   35    HB3  GLN   5           1HB      GLN   5  15.920   9.791  10.281
   36    HG2  GLN   5           2HG      GLN   5  17.310   8.003  11.368
   37    HG3  GLN   5           1HG      GLN   5  18.597   8.367  10.218
   38   HE21  GLN   5          1HE2      GLN   5  19.075  10.918  10.142
   39   HE22  GLN   5          2HE2      GLN   5  19.181  11.666  11.662
   40    H    GLY   6           H        GLY   6  14.199   6.724   7.997
   41    HA2  GLY   6           2HA      GLY   6  12.273   8.670   7.367
   42    HA3  GLY   6           1HA      GLY   6  13.316   8.548   5.952
   43    H    TRP   7           H        TRP   7  12.069   6.110   8.245
   44    HA   TRP   7           HA       TRP   7  11.733   4.030   6.329
   45    HD1  TRP   7           HD1      TRP   7  13.708   4.217   8.107
   46    HE1  TRP   7           HE1      TRP   7  15.007   2.120   8.857
   47    HE3  TRP   7           HE3      TRP   7   9.811   1.169   9.384
   48    HZ2  TRP   7           HZ2      TRP   7  14.468  -0.501   9.863
   49    HZ3  TRP   7           HZ3      TRP   7  10.235  -1.119  10.235
   50    HH2  TRP   7           HH2      TRP   7  12.555  -1.957  10.477
   51    HB2  TRP   7           2HB      TRP   7  10.776   4.696   9.081
   52    HB3  TRP   7           1HB      TRP   7   9.930   3.404   8.233
   53    H    GLU   8           H        GLU   8   9.526   6.612   7.376
   54    HA   GLU   8           HA       GLU   8   7.171   5.645   6.043
   55    HB2  GLU   8           2HB      GLU   8   7.909   7.744   7.720
   56    HB3  GLU   8           1HB      GLU   8   7.470   8.558   6.218
   57    HG2  GLU   8           2HG      GLU   8   5.401   8.407   7.291
   58    HG3  GLU   8           1HG      GLU   8   5.385   6.962   6.283
   59    H    ALA   9           H        ALA   9   9.887   7.684   4.983
   60    HA   ALA   9           HA       ALA   9   8.779   8.456   2.445
   61    HB1  ALA   9           3HB      ALA   9  10.671   9.603   3.477
   62    HB2  ALA   9           1HB      ALA   9  11.205   8.916   1.942
   63    HB3  ALA   9           2HB      ALA   9  11.621   8.117   3.457
   64    H    VAL  10           H        VAL  10  10.849   5.732   3.463
   65    HA   VAL  10           HA       VAL  10  11.153   4.558   0.847
   66    HB   VAL  10           HB       VAL  10  11.248   3.400   3.660
   67   HG11  VAL  10          1HG1      VAL  10  10.960   1.633   1.961
   68   HG12  VAL  10          2HG1      VAL  10  12.583   1.583   2.651
   69   HG13  VAL  10          3HG1      VAL  10  12.326   2.283   1.052
   70   HG21  VAL  10          3HG2      VAL  10  13.463   4.348   1.811
   71   HG22  VAL  10          1HG2      VAL  10  13.677   3.692   3.433
   72   HG23  VAL  10          2HG2      VAL  10  12.862   5.240   3.208
   73    H    ALA  11           H        ALA  11   8.820   4.096   3.490
   74    HA   ALA  11           HA       ALA  11   7.326   1.949   2.316
   75    HB1  ALA  11           3HB      ALA  11   7.297   2.761   4.706
   76    HB2  ALA  11           1HB      ALA  11   5.687   2.562   4.014
   77    HB3  ALA  11           2HB      ALA  11   6.391   4.172   4.161
   78    H    ALA  12           H        ALA  12   7.031   5.499   2.119
   79    HA   ALA  12           HA       ALA  12   4.610   5.619   0.603
   80    HB1  ALA  12           3HB      ALA  12   5.420   7.902   0.089
   81    HB2  ALA  12           1HB      ALA  12   7.033   7.451   0.639
   82    HB3  ALA  12           2HB      ALA  12   5.697   7.512   1.787
   83    H    ALA  13           H        ALA  13   8.037   5.398  -0.380
   84    HA   ALA  13           HA       ALA  13   7.656   5.616  -3.201
   85    HB1  ALA  13           3HB      ALA  13   9.900   4.707  -3.291
   86    HB2  ALA  13           1HB      ALA  13   9.709   3.953  -1.709
   87    HB3  ALA  13           2HB      ALA  13   9.803   5.709  -1.842
   88    H    VAL  14           H        VAL  14   7.630   2.791  -1.015
   89    HA   VAL  14           HA       VAL  14   7.262   0.784  -3.040
   90    HB   VAL  14           HB       VAL  14   6.453   0.911  -0.110
   91   HG11  VAL  14          1HG1      VAL  14   6.618  -1.610  -0.284
   92   HG12  VAL  14          2HG1      VAL  14   6.685  -1.418  -2.035
   93   HG13  VAL  14          3HG1      VAL  14   5.252  -0.904  -1.146
   94   HG21  VAL  14          3HG2      VAL  14   8.745  -0.749  -0.816
   95   HG22  VAL  14          1HG2      VAL  14   8.626   0.533   0.389
   96   HG23  VAL  14          2HG2      VAL  14   8.995   0.932  -1.288
   97    H    ALA  15           H        ALA  15   4.981   2.704  -1.086
   98    HA   ALA  15           HA       ALA  15   2.568   1.482  -2.058
   99    HB1  ALA  15           3HB      ALA  15   1.548   3.537  -1.097
  100    HB2  ALA  15           1HB      ALA  15   3.153   4.259  -0.977
  101    HB3  ALA  15           2HB      ALA  15   2.749   2.844  -0.006
  102    H    SER  16           H        SER  16   4.520   4.250  -3.152
  103    HA   SER  16           HA       SER  16   2.750   5.201  -5.192
  104    HG   SER  16           HG       SER  16   3.783   7.388  -4.850
  105    HB2  SER  16           2HB      SER  16   5.710   5.337  -4.634
  106    HB3  SER  16           1HB      SER  16   5.045   6.056  -6.098
  107    H    LYS  17           H        LYS  17   5.342   2.739  -5.209
  108    HA   LYS  17           HA       LYS  17   5.301   2.235  -8.037
  109    HB2  LYS  17           2HB      LYS  17   7.120   1.592  -6.473
  110    HB3  LYS  17           1HB      LYS  17   6.038   0.431  -5.701
  111    HG2  LYS  17           2HG      LYS  17   6.248  -1.075  -7.390
  112    HG3  LYS  17           1HG      LYS  17   6.187   0.172  -8.634
  113    HD2  LYS  17           2HD      LYS  17   8.578   0.794  -7.772
  114    HD3  LYS  17           1HD      LYS  17   8.562  -0.831  -7.084
  115    HE2  LYS  17           2HE      LYS  17   8.017  -0.203 -10.011
  116    HE3  LYS  17           1HE      LYS  17   9.558  -0.810  -9.377
  117    HZ1  LYS  17           3HZ      LYS  17   6.942  -2.160  -9.497
  118    HZ2  LYS  17           1HZ      LYS  17   8.027  -2.574  -8.260
  119    HZ3  LYS  17           2HZ      LYS  17   8.482  -2.767  -9.884
  120    H    ILE  18           H        ILE  18   3.413   0.947  -5.311
  121    HA   ILE  18           HA       ILE  18   2.140  -1.211  -6.715
  122    HB   ILE  18           HB       ILE  18   1.521   0.472  -4.279
  123   HG12  ILE  18          2HG1      ILE  18   2.257  -2.440  -4.735
  124   HG13  ILE  18          1HG1      ILE  18   3.296  -1.190  -4.052
  125   HG21  ILE  18          1HG2      ILE  18  -0.342  -1.156  -3.810
  126   HG22  ILE  18          2HG2      ILE  18  -0.165  -1.759  -5.458
  127   HG23  ILE  18          3HG2      ILE  18  -0.664  -0.091  -5.178
  128   HD11  ILE  18          3HD1      ILE  18   2.247  -2.676  -2.316
  129   HD12  ILE  18          1HD1      ILE  18   0.669  -2.065  -2.815
  130   HD13  ILE  18          2HD1      ILE  18   1.859  -0.968  -2.112
  131    H    VAL  19           H        VAL  19   1.134   2.173  -6.103
  132    HA   VAL  19           HA       VAL  19  -1.360   2.064  -7.504
  133    HB   VAL  19           HB       VAL  19   0.608   4.261  -6.807
  134   HG11  VAL  19          1HG1      VAL  19  -0.457   5.377  -8.523
  135   HG12  VAL  19          2HG1      VAL  19  -1.638   5.656  -7.242
  136   HG13  VAL  19          3HG1      VAL  19  -1.903   4.371  -8.421
  137   HG21  VAL  19          3HG2      VAL  19  -0.469   3.366  -4.868
  138   HG22  VAL  19          1HG2      VAL  19  -2.030   3.282  -5.686
  139   HG23  VAL  19          2HG2      VAL  19  -1.346   4.847  -5.249
  140    H    GLY  20           H        GLY  20   1.943   2.873  -8.596
  141    HA2  GLY  20           2HA      GLY  20   1.188   3.595 -11.286
  142    HA3  GLY  20           1HA      GLY  20   2.814   3.166 -10.759
  143    H    LEU  21           H        LEU  21   1.837   0.533  -9.679
  144    HA   LEU  21           HA       LEU  21   1.563  -0.897 -12.294
  145    HG   LEU  21           HG       LEU  21   2.084  -3.302 -11.930
  146    HB2  LEU  21           2HB      LEU  21   3.697  -1.024 -10.881
  147    HB3  LEU  21           1HB      LEU  21   2.743  -1.930  -9.707
  148   HD11  LEU  21          1HD1      LEU  21   3.596  -1.782 -13.288
  149   HD12  LEU  21          2HD1      LEU  21   3.946  -3.505 -13.439
  150   HD13  LEU  21          3HD1      LEU  21   4.961  -2.484 -12.419
  151   HD21  LEU  21          3HD2      LEU  21   4.616  -3.652 -10.290
  152   HD22  LEU  21          1HD2      LEU  21   3.875  -4.909 -11.281
  153   HD23  LEU  21          2HD2      LEU  21   3.016  -4.271  -9.878
  154    H    TRP  22           H        TRP  22  -0.743   0.031 -10.756
  155    HA   TRP  22           HA       TRP  22  -1.797  -2.458  -9.509
  156    HD1  TRP  22           HD1      TRP  22  -3.554  -3.104  -8.236
  157    HE1  TRP  22           HE1      TRP  22  -6.020  -3.136  -7.490
  158    HE3  TRP  22           HE3      TRP  22  -4.727   1.830  -8.854
  159    HZ2  TRP  22           HZ2      TRP  22  -8.200  -1.313  -7.189
  160    HZ3  TRP  22           HZ3      TRP  22  -7.004   2.653  -8.328
  161    HH2  TRP  22           HH2      TRP  22  -8.741   1.090  -7.497
  162    HB2  TRP  22           2HB      TRP  22  -1.932  -0.395  -8.211
  163    HB3  TRP  22           1HB      TRP  22  -2.729   0.432  -9.547
  164    H    ARG  23           H        ARG  23  -3.472  -3.586 -10.451
  165    HA   ARG  23           HA       ARG  23  -4.414  -2.718 -13.141
  166    HE   ARG  23           HE       ARG  23  -3.037  -3.894 -15.323
  167    HB2  ARG  23           2HB      ARG  23  -3.356  -5.026 -12.346
  168    HB3  ARG  23           1HB      ARG  23  -5.008  -5.359 -11.829
  169    HG2  ARG  23           2HG      ARG  23  -5.655  -5.758 -13.950
  170    HG3  ARG  23           1HG      ARG  23  -5.000  -4.213 -14.492
  171    HD2  ARG  23           2HD      ARG  23  -2.898  -6.182 -13.902
  172    HD3  ARG  23           1HD      ARG  23  -3.990  -6.694 -15.205
  173   HH11  ARG  23          2HH1      ARG  23  -4.180  -5.454 -17.644
  174   HH12  ARG  23          1HH1      ARG  23  -2.755  -5.824 -18.554
  175   HH21  ARG  23          1HH2      ARG  23  -0.582  -5.104 -15.938
  176   HH22  ARG  23          2HH2      ARG  23  -0.707  -5.620 -17.586
  177    H    ASN  24           H        ASN  24  -6.872  -3.995 -13.246
  178    HA   ASN  24           HA       ASN  24  -8.734  -2.222 -12.146
  179    HB2  ASN  24           2HB      ASN  24  -8.724  -5.036 -13.132
  180    HB3  ASN  24           1HB      ASN  24 -10.163  -4.509 -12.261
  181   HD21  ASN  24          1HD2      ASN  24 -11.207  -2.427 -13.108
  182   HD22  ASN  24          2HD2      ASN  24 -11.090  -2.097 -14.769
  183    H    GLU  25           H        GLU  25  -7.484  -5.236 -10.691
  184    HA   GLU  25           HA       GLU  25  -8.074  -4.236  -7.989
  185    HB2  GLU  25           2HB      GLU  25  -9.579  -6.178  -7.492
  186    HB3  GLU  25           1HB      GLU  25 -10.249  -5.099  -8.714
  187    HG2  GLU  25           2HG      GLU  25 -10.414  -6.851 -10.120
  188    HG3  GLU  25           1HG      GLU  25  -8.658  -6.996 -10.105
  189    H    LYS  26           H        LYS  26  -5.688  -5.164  -9.491
  190    HA   LYS  26           HA       LYS  26  -4.756  -7.225  -7.556
  191    HB2  LYS  26           2HB      LYS  26  -5.793  -8.182  -9.724
  192    HB3  LYS  26           1HB      LYS  26  -4.369  -7.533 -10.535
  193    HG2  LYS  26           2HG      LYS  26  -3.827  -9.111  -8.084
  194    HG3  LYS  26           1HG      LYS  26  -4.471 -10.025  -9.446
  195    HD2  LYS  26           2HD      LYS  26  -2.342  -8.104 -10.160
  196    HD3  LYS  26           1HD      LYS  26  -1.819  -9.424  -9.115
  197    HE2  LYS  26           2HE      LYS  26  -1.548 -10.372 -11.251
  198    HE3  LYS  26           1HE      LYS  26  -3.184 -10.918 -10.832
  199    HZ1  LYS  26           3HZ      LYS  26  -2.577  -8.390 -12.278
  200    HZ2  LYS  26           1HZ      LYS  26  -4.116  -9.033 -11.962
  201    HZ3  LYS  26           2HZ      LYS  26  -3.067  -9.828 -13.037
  202    H    THR  27           H        THR  27  -2.422  -7.275  -7.380
  203    HA   THR  27           HA       THR  27  -0.800  -5.472  -9.056
  204    HB   THR  27           HB       THR  27  -1.917  -4.075  -7.262
  205    HG1  THR  27           HG1      THR  27   0.271  -3.738  -8.216
  206   HG21  THR  27          3HG2      THR  27  -0.051  -5.476  -5.349
  207   HG22  THR  27          1HG2      THR  27  -1.728  -5.983  -5.547
  208   HG23  THR  27          2HG2      THR  27  -1.360  -4.356  -4.974
  209    H    GLU  28           H        GLU  28   1.477  -5.911  -8.807
  210    HA   GLU  28           HA       GLU  28   2.024  -8.498  -7.409
  211    HB2  GLU  28           2HB      GLU  28   2.403  -7.716  -9.994
  212    HB3  GLU  28           1HB      GLU  28   3.981  -7.334  -9.307
  213    HG2  GLU  28           2HG      GLU  28   4.127  -9.599 -10.059
  214    HG3  GLU  28           1HG      GLU  28   3.981  -9.678  -8.306
  215    H    LEU  29           H        LEU  29   3.139  -8.350  -5.516
  216    HA   LEU  29           HA       LEU  29   4.932  -5.988  -5.074
  217    HG   LEU  29           HG       LEU  29   3.045  -5.012  -4.355
  218    HB2  LEU  29           2HB      LEU  29   2.996  -7.535  -3.429
  219    HB3  LEU  29           1HB      LEU  29   4.446  -6.975  -2.602
  220   HD11  LEU  29          1HD1      LEU  29   1.430  -4.460  -2.597
  221   HD12  LEU  29          2HD1      LEU  29   2.030  -5.787  -1.603
  222   HD13  LEU  29          3HD1      LEU  29   1.197  -6.127  -3.121
  223   HD21  LEU  29          3HD2      LEU  29   5.188  -4.731  -2.880
  224   HD22  LEU  29          1HD2      LEU  29   4.048  -4.633  -1.537
  225   HD23  LEU  29          2HD2      LEU  29   3.969  -3.457  -2.850
  226    H    LEU  30           H        LEU  30   7.094  -6.476  -4.934
  227    HA   LEU  30           HA       LEU  30   9.086  -7.722  -4.769
  228    HG   LEU  30           HG       LEU  30  10.316  -9.049  -3.261
  229    HB2  LEU  30           2HB      LEU  30   7.592  -7.998  -2.491
  230    HB3  LEU  30           1HB      LEU  30   7.827  -9.684  -2.946
  231   HD11  LEU  30          1HD1      LEU  30   9.662  -6.875  -1.284
  232   HD12  LEU  30          2HD1      LEU  30   9.615  -6.537  -3.014
  233   HD13  LEU  30          3HD1      LEU  30  11.114  -7.082  -2.263
  234   HD21  LEU  30          3HD2      LEU  30   9.204 -10.365  -1.343
  235   HD22  LEU  30          1HD2      LEU  30   9.306  -8.867  -0.419
  236   HD23  LEU  30          2HD2      LEU  30  10.776  -9.641  -1.007
  237    H    GLY  31           H        GLY  31   7.145  -8.539  -6.862
  238    HA2  GLY  31           2HA      GLY  31   7.116 -10.230  -8.502
  239    HA3  GLY  31           1HA      GLY  31   8.350 -11.085  -7.576
  240    H    HIS  32           H        HIS  32   5.395 -10.139  -5.963
  241    HA   HIS  32           HA       HIS  32   4.471 -12.988  -6.022
  242    HD1  HIS  32           HD1      HIS  32   6.055 -14.107  -5.054
  243    HD2  HIS  32           HD2      HIS  32   6.656 -11.119  -2.207
  244    HE1  HIS  32           HE1      HIS  32   8.344 -14.520  -4.052
  245    HB2  HIS  32           2HB      HIS  32   4.394 -10.916  -3.804
  246    HB3  HIS  32           1HB      HIS  32   3.759 -12.550  -3.683
  247    H    GLU  33           H        GLU  33   2.216 -13.278  -6.248
  248    HA   GLU  33           HA       GLU  33   0.719 -11.099  -7.456
  249    HB2  GLU  33           2HB      GLU  33   0.657 -13.875  -7.423
  250    HB3  GLU  33           1HB      GLU  33  -0.790 -13.439  -6.513
  251    HG2  GLU  33           2HG      GLU  33  -0.288 -11.896  -9.007
  252    HG3  GLU  33           1HG      GLU  33  -0.747 -13.586  -9.213
  253    H    CYS  34           H        CYS  34  -0.391  -9.559  -6.366
  254    HA   CYS  34           HA       CYS  34  -1.461 -10.199  -3.647
  255    HB2  CYS  34           2HB      CYS  34  -0.039  -7.734  -4.677
  256    HB3  CYS  34           1HB      CYS  34  -0.935  -7.752  -3.163
  257    H    LYS  35           H        LYS  35  -3.364  -8.818  -3.101
  258    HA   LYS  35           HA       LYS  35  -4.876  -8.044  -5.569
  259    HB2  LYS  35           2HB      LYS  35  -5.522 -10.067  -4.106
  260    HB3  LYS  35           1HB      LYS  35  -6.044  -8.874  -2.918
  261    HG2  LYS  35           2HG      LYS  35  -8.013  -9.186  -4.116
  262    HG3  LYS  35           1HG      LYS  35  -7.309  -7.822  -4.982
  263    HD2  LYS  35           2HD      LYS  35  -7.475  -9.083  -6.849
  264    HD3  LYS  35           1HD      LYS  35  -6.150 -10.044  -6.200
  265    HE2  LYS  35           2HE      LYS  35  -7.882 -11.627  -6.652
  266    HE3  LYS  35           1HE      LYS  35  -7.988 -11.345  -4.903
  267    HZ1  LYS  35           3HZ      LYS  35  -9.651 -10.166  -7.056
  268    HZ2  LYS  35           1HZ      LYS  35  -9.557  -9.456  -5.517
  269    HZ3  LYS  35           2HZ      LYS  35 -10.162 -11.034  -5.687
  270    H    PHE  36           H        PHE  36  -5.094  -5.873  -5.718
  271    HA   PHE  36           HA       PHE  36  -5.407  -4.268  -3.201
  272    HD1  PHE  36           HD2      PHE  36  -5.979  -1.412  -5.035
  273    HD2  PHE  36           HD1      PHE  36  -2.326  -2.571  -3.093
  274    HE1  PHE  36           HE2      PHE  36  -5.882   0.789  -3.904
  275    HE2  PHE  36           HE1      PHE  36  -2.234  -0.367  -1.964
  276    HZ   PHE  36           HZ       PHE  36  -4.012   1.309  -2.370
  277    HB2  PHE  36           2HB      PHE  36  -3.303  -4.017  -4.648
  278    HB3  PHE  36           1HB      PHE  36  -4.352  -3.337  -5.887
  279    H    THR  37           H        THR  37  -7.441  -3.347  -3.042
  280    HA   THR  37           HA       THR  37  -8.915  -2.755  -5.582
  281    HB   THR  37           HB       THR  37 -10.933  -3.543  -4.016
  282    HG1  THR  37           HG1      THR  37 -10.201  -5.306  -2.741
  283   HG21  THR  37          3HG2      THR  37 -11.047  -5.234  -5.507
  284   HG22  THR  37          1HG2      THR  37  -9.502  -5.905  -4.982
  285   HG23  THR  37          2HG2      THR  37  -9.540  -4.598  -6.165
  286    H    VAL  38           H        VAL  38 -10.496  -1.065  -5.416
  287    HA   VAL  38           HA       VAL  38 -10.430   0.596  -2.928
  288    HB   VAL  38           HB       VAL  38 -10.007   1.506  -5.799
  289   HG11  VAL  38          1HG1      VAL  38 -11.284   3.180  -4.584
  290   HG12  VAL  38          2HG1      VAL  38  -9.619   3.744  -4.728
  291   HG13  VAL  38          3HG1      VAL  38 -10.193   3.066  -3.203
  292   HG21  VAL  38          3HG2      VAL  38  -7.798   2.305  -4.771
  293   HG22  VAL  38          1HG2      VAL  38  -7.969   0.561  -4.981
  294   HG23  VAL  38          2HG2      VAL  38  -8.190   1.284  -3.387
  295    H    LYS  39           H        LYS  39 -12.435   1.608  -2.485
  296    HA   LYS  39           HA       LYS  39 -14.538   1.712  -4.552
  297    HB2  LYS  39           2HB      LYS  39 -14.461  -0.642  -3.616
  298    HB3  LYS  39           1HB      LYS  39 -14.894   0.039  -2.048
  299    HG2  LYS  39           2HG      LYS  39 -17.045  -0.227  -2.710
  300    HG3  LYS  39           1HG      LYS  39 -16.766   1.178  -3.737
  301    HD2  LYS  39           2HD      LYS  39 -17.473  -0.318  -5.346
  302    HD3  LYS  39           1HD      LYS  39 -15.745  -0.674  -5.367
  303    HE2  LYS  39           2HE      LYS  39 -16.247  -2.451  -3.567
  304    HE3  LYS  39           1HE      LYS  39 -17.953  -2.239  -4.009
  305    HZ1  LYS  39           3HZ      LYS  39 -17.341  -2.610  -6.337
  306    HZ2  LYS  39           1HZ      LYS  39 -16.955  -3.954  -5.377
  307    HZ3  LYS  39           2HZ      LYS  39 -15.729  -2.890  -5.877
  308    HA   PRO  40           HA       PRO  40 -15.309   5.115  -1.754
  309    HB2  PRO  40           2HB      PRO  40 -17.113   6.409  -3.342
  310    HB3  PRO  40           1HB      PRO  40 -15.363   6.477  -3.619
  311    HG2  PRO  40           2HG      PRO  40 -17.441   4.918  -5.039
  312    HG3  PRO  40           1HG      PRO  40 -15.943   5.631  -5.655
  313    HD2  PRO  40           2HD      PRO  40 -16.319   2.948  -5.050
  314    HD3  PRO  40           1HD      PRO  40 -14.745   3.756  -5.214
  315    H    TYR  41           H        TYR  41 -17.172   5.873  -0.502
  316    HA   TYR  41           HA       TYR  41 -19.615   4.154  -0.686
  317    HD1  TYR  41           HD1      TYR  41 -19.530   2.016  -0.085
  318    HD2  TYR  41           HD2      TYR  41 -16.158   3.547   2.091
  319    HE1  TYR  41           HE1      TYR  41 -18.338  -0.134  -0.420
  320    HE2  TYR  41           HE2      TYR  41 -14.969   1.399   1.757
  321    HH   TYR  41           HH       TYR  41 -15.224  -0.558  -0.191
  322    HB2  TYR  41           2HB      TYR  41 -18.014   4.916   1.774
  323    HB3  TYR  41           1HB      TYR  41 -19.543   4.055   1.804
  324    H    LEU  42           H        LEU  42 -21.068   5.261   1.312
  325    HA   LEU  42           HA       LEU  42 -21.198   8.178   0.631
  326    HG   LEU  42           HG       LEU  42 -22.974   9.136   0.110
  327    HB2  LEU  42           2HB      LEU  42 -22.905   6.419  -0.334
  328    HB3  LEU  42           1HB      LEU  42 -23.610   6.510   1.280
  329   HD11  LEU  42          1HD1      LEU  42 -23.812   7.562  -1.821
  330   HD12  LEU  42          2HD1      LEU  42 -24.522   9.165  -1.635
  331   HD13  LEU  42          3HD1      LEU  42 -25.379   7.747  -1.034
  332   HD21  LEU  42          3HD2      LEU  42 -24.483   8.223   2.176
  333   HD22  LEU  42          1HD2      LEU  42 -25.722   8.359   0.928
  334   HD23  LEU  42          2HD2      LEU  42 -24.769   9.772   1.383
  335    H    LYS  43           H        LYS  43 -21.760   9.565   2.319
  336    HA   LYS  43           HA       LYS  43 -21.891   8.375   5.069
  337    HB2  LYS  43           2HB      LYS  43 -19.914   9.896   4.011
  338    HB3  LYS  43           1HB      LYS  43 -20.977  11.173   4.592
  339    HG2  LYS  43           2HG      LYS  43 -20.617   8.992   6.530
  340    HG3  LYS  43           1HG      LYS  43 -19.117   9.827   6.133
  341    HD2  LYS  43           2HD      LYS  43 -21.533  11.503   6.671
  342    HD3  LYS  43           1HD      LYS  43 -20.745  10.731   8.048
  343    HE2  LYS  43           2HE      LYS  43 -18.552  11.717   7.239
  344    HE3  LYS  43           1HE      LYS  43 -19.491  12.653   6.060
  345    HZ1  LYS  43           3HZ      LYS  43 -20.919  13.340   8.011
  346    HZ2  LYS  43           1HZ      LYS  43 -19.359  14.007   7.967
  347    HZ3  LYS  43           2HZ      LYS  43 -19.699  12.717   9.018
  348    H    ARG  44           H        ARG  44 -22.964  10.068   6.613
  349    HA   ARG  44           HA       ARG  44 -25.649  10.439   6.182
  350    HE   ARG  44           HE       ARG  44 -27.809  10.560   8.328
  351    HB2  ARG  44           2HB      ARG  44 -23.543  11.796   7.771
  352    HB3  ARG  44           1HB      ARG  44 -25.073  12.661   7.635
  353    HG2  ARG  44           2HG      ARG  44 -25.712   9.934   8.123
  354    HG3  ARG  44           1HG      ARG  44 -24.450  10.378   9.270
  355    HD2  ARG  44           2HD      ARG  44 -26.349  11.082  10.437
  356    HD3  ARG  44           1HD      ARG  44 -25.960  12.568   9.548
  357   HH11  ARG  44          1HH2      ARG  44 -29.087  12.365  10.381
  358   HH12  ARG  44          2HH2      ARG  44 -29.654  13.675   9.401
  359   HH21  ARG  44          2HH1      ARG  44 -27.672  12.830   6.671
  360   HH22  ARG  44          1HH1      ARG  44 -28.849  13.939   7.291
  361    H    PHE  45           H        PHE  45 -23.087  12.575   4.958
  362    HA   PHE  45           HA       PHE  45 -24.913  13.695   2.963
  363    HD1  PHE  45           HD2      PHE  45 -27.239  14.813   4.648
  364    HD2  PHE  45           HD1      PHE  45 -24.253  17.213   2.704
  365    HE1  PHE  45           HE2      PHE  45 -29.018  16.056   3.448
  366    HE2  PHE  45           HE1      PHE  45 -26.032  18.456   1.505
  367    HZ   PHE  45           HZ       PHE  45 -28.415  17.877   1.878
  368    HB2  PHE  45           2HB      PHE  45 -24.914  14.861   5.450
  369    HB3  PHE  45           1HB      PHE  45 -23.688  15.818   4.620
  370    H    GLN  46           H        GLN  46 -22.433  12.237   2.742
  371    HA   GLN  46           HA       GLN  46 -20.894  14.121   1.098
  372    HB2  GLN  46           2HB      GLN  46 -20.265  13.647   3.892
  373    HB3  GLN  46           1HB      GLN  46 -18.928  13.130   2.865
  374    HG2  GLN  46           2HG      GLN  46 -19.319  15.424   1.655
  375    HG3  GLN  46           1HG      GLN  46 -20.142  15.866   3.152
  376   HE21  GLN  46          1HE2      GLN  46 -17.016  15.372   1.689
  377   HE22  GLN  46          2HE2      GLN  46 -16.094  15.676   3.080
  378    H    VAL  47           H        VAL  47 -19.289  13.026  -0.202
  379    HA   VAL  47           HA       VAL  47 -19.667  10.066  -0.368
  380    HB   VAL  47           HB       VAL  47 -18.458  12.134  -2.247
  381   HG11  VAL  47          1HG1      VAL  47 -19.066   9.190  -2.675
  382   HG12  VAL  47          2HG1      VAL  47 -17.458   9.906  -2.568
  383   HG13  VAL  47          3HG1      VAL  47 -18.515  10.310  -3.922
  384   HG21  VAL  47          3HG2      VAL  47 -20.501  11.832  -3.548
  385   HG22  VAL  47          1HG2      VAL  47 -20.940  12.274  -1.897
  386   HG23  VAL  47          2HG2      VAL  47 -21.072  10.597  -2.426
  387    H    TYR  48           H        TYR  48 -18.061   8.819   0.553
  388    HA   TYR  48           HA       TYR  48 -15.373  10.073   0.969
  389    HD1  TYR  48           HD1      TYR  48 -18.259  10.238   3.080
  390    HD2  TYR  48           HD2      TYR  48 -14.065   9.647   3.795
  391    HE1  TYR  48           HE1      TYR  48 -18.256  12.160   4.645
  392    HE2  TYR  48           HE2      TYR  48 -14.062  11.568   5.361
  393    HH   TYR  48           HH       TYR  48 -16.088  13.865   5.458
  394    HB2  TYR  48           2HB      TYR  48 -17.107   8.132   2.444
  395    HB3  TYR  48           1HB      TYR  48 -15.359   7.981   2.628
  396    H    TYR  49           H        TYR  49 -13.496   8.589   0.787
  397    HA   TYR  49           HA       TYR  49 -13.933   6.433  -1.246
  398    HD1  TYR  49           HD1      TYR  49 -11.155   5.855  -3.031
  399    HD2  TYR  49           HD2      TYR  49 -14.052   9.021  -3.230
  400    HE1  TYR  49           HE1      TYR  49 -11.596   5.302  -5.408
  401    HE2  TYR  49           HE2      TYR  49 -14.493   8.469  -5.606
  402    HH   TYR  49           HH       TYR  49 -14.109   6.002  -7.023
  403    HB2  TYR  49           2HB      TYR  49 -12.478   8.860  -1.365
  404    HB3  TYR  49           1HB      TYR  49 -11.282   7.568  -1.287
  405    H    LYS  50           H        LYS  50 -13.212   4.446  -0.603
  406    HA   LYS  50           HA       LYS  50 -11.134   4.291   1.554
  407    HB2  LYS  50           2HB      LYS  50 -13.378   3.940   2.481
  408    HB3  LYS  50           1HB      LYS  50 -13.717   2.733   1.243
  409    HG2  LYS  50           2HG      LYS  50 -12.196   1.183   2.163
  410    HG3  LYS  50           1HG      LYS  50 -11.358   2.424   3.095
  411    HD2  LYS  50           2HD      LYS  50 -12.852   2.325   4.807
  412    HD3  LYS  50           1HD      LYS  50 -14.231   2.163   3.719
  413    HE2  LYS  50           2HE      LYS  50 -12.870  -0.244   3.374
  414    HE3  LYS  50           1HE      LYS  50 -12.730   0.072   5.114
  415    HZ1  LYS  50           3HZ      LYS  50 -15.132   0.612   5.111
  416    HZ2  LYS  50           1HZ      LYS  50 -14.815  -1.007   4.717
  417    HZ3  LYS  50           2HZ      LYS  50 -15.221   0.098   3.492
  418    H    GLY  51           H        GLY  51  -9.764   2.408   1.402
  419    HA2  GLY  51           2HA      GLY  51 -10.186   0.594  -0.894
  420    HA3  GLY  51           1HA      GLY  51  -8.711   1.553  -0.908
  421    H    ARG  52           H        ARG  52  -8.883  -1.334  -0.777
  422    HA   ARG  52           HA       ARG  52  -7.321  -1.761   1.718
  423    HE   ARG  52           HE       ARG  52 -10.754  -5.247   2.497
  424    HB2  ARG  52           2HB      ARG  52  -9.623  -2.335   2.274
  425    HB3  ARG  52           1HB      ARG  52  -9.759  -3.330   0.824
  426    HG2  ARG  52           2HG      ARG  52  -8.688  -5.084   1.786
  427    HG3  ARG  52           1HG      ARG  52  -7.471  -4.047   2.527
  428    HD2  ARG  52           2HD      ARG  52  -8.669  -4.950   4.378
  429    HD3  ARG  52           1HD      ARG  52  -9.380  -3.338   4.158
  430   HH11  ARG  52          1HH2      ARG  52 -11.804  -3.075   4.475
  431   HH12  ARG  52          2HH2      ARG  52 -12.735  -4.070   5.544
  432   HH21  ARG  52          2HH1      ARG  52 -11.313  -7.045   4.437
  433   HH22  ARG  52          1HH1      ARG  52 -12.451  -6.327   5.527
  434    H    MET  53           H        MET  53  -5.689  -3.337   1.430
  435    HA   MET  53           HA       MET  53  -5.717  -4.940  -1.081
  436    HB2  MET  53           2HB      MET  53  -3.580  -4.092  -1.754
  437    HB3  MET  53           1HB      MET  53  -4.562  -2.688  -1.352
  438    HG2  MET  53           2HG      MET  53  -3.170  -2.081   0.322
  439    HG3  MET  53           1HG      MET  53  -3.135  -3.713   0.983
  440    HE1  MET  53           3HE      MET  53  -1.418  -5.408   0.653
  441    HE2  MET  53           1HE      MET  53  -0.324  -5.515  -0.734
  442    HE3  MET  53           2HE      MET  53  -2.067  -5.621  -0.972
  443    H    TRP  54           H        TRP  54  -4.205  -6.729  -1.032
  444    HA   TRP  54           HA       TRP  54  -2.691  -7.338   1.401
  445    HD1  TRP  54           HD1      TRP  54  -4.449 -10.985  -0.059
  446    HE1  TRP  54           HE1      TRP  54  -6.486 -11.336  -1.596
  447    HE3  TRP  54           HE3      TRP  54  -7.013  -6.664   0.870
  448    HZ2  TRP  54           HZ2      TRP  54  -8.886  -9.965  -2.338
  449    HZ3  TRP  54           HZ3      TRP  54  -9.167  -6.213  -0.266
  450    HH2  TRP  54           HH2      TRP  54 -10.106  -7.855  -1.868
  451    HB2  TRP  54           2HB      TRP  54  -4.063  -9.304   2.003
  452    HB3  TRP  54           1HB      TRP  54  -5.038  -7.839   2.051
  453    H    CYS  55           H        CYS  55  -2.103  -9.937   1.126
  454    HA   CYS  55           HA       CYS  55  -1.517 -10.372  -1.772
  455    HB2  CYS  55           2HB      CYS  55   0.322 -10.447   0.617
  456    HB3  CYS  55           1HB      CYS  55   0.759 -11.171  -0.927
  457    HA   PRO  56           HA       PRO  56  -3.308 -14.223  -0.118
  458    HB2  PRO  56           2HB      PRO  56  -4.477 -14.980  -2.476
  459    HB3  PRO  56           1HB      PRO  56  -5.238 -13.843  -1.346
  460    HG2  PRO  56           2HG      PRO  56  -3.781 -13.303  -3.879
  461    HG3  PRO  56           1HG      PRO  56  -5.200 -12.495  -3.196
  462    HD2  PRO  56           2HD      PRO  56  -2.654 -11.489  -3.084
  463    HD3  PRO  56           1HD      PRO  56  -3.939 -11.074  -1.942
  464    H    GLY  57           H        GLY  57  -0.920 -14.778  -0.087
  465    HA2  GLY  57           2HA      GLY  57  -0.156 -17.134  -1.142
  466    HA3  GLY  57           1HA      GLY  57   0.145 -16.069  -2.514
  467    H    TRP  58           H        TRP  58   1.086 -13.784  -1.240
  468    HA   TRP  58           HA       TRP  58   3.833 -14.471  -0.693
  469    HD1  TRP  58           HD1      TRP  58   5.648 -13.640  -0.142
  470    HE1  TRP  58           HE1      TRP  58   7.464 -11.951   0.562
  471    HE3  TRP  58           HE3      TRP  58   2.931  -9.317  -0.260
  472    HZ2  TRP  58           HZ2      TRP  58   7.729  -9.139   1.016
  473    HZ3  TRP  58           HZ3      TRP  58   3.988  -7.152   0.313
  474    HH2  TRP  58           HH2      TRP  58   6.380  -7.057   0.949
  475    HB2  TRP  58           2HB      TRP  58   2.972 -12.356  -1.716
  476    HB3  TRP  58           1HB      TRP  58   2.281 -11.915  -0.162
  477    H    THR  59           H        THR  59   1.279 -13.103   1.422
  478    HA   THR  59           HA       THR  59   2.335 -14.613   3.724
  479    HB   THR  59           HB       THR  59   3.728 -12.578   3.601
  480    HG1  THR  59           HG1      THR  59   3.496 -12.942   5.667
  481   HG21  THR  59          3HG2      THR  59   1.997 -10.495   4.272
  482   HG22  THR  59          1HG2      THR  59   1.150 -11.361   2.989
  483   HG23  THR  59          2HG2      THR  59   2.776 -10.739   2.709
  484    H    ALA  60           H        ALA  60   0.923 -13.409   5.742
  485    HA   ALA  60           HA       ALA  60  -1.922 -13.552   4.798
  486    HB1  ALA  60           3HB      ALA  60  -0.616 -14.411   7.402
  487    HB2  ALA  60           1HB      ALA  60  -1.179 -15.484   6.120
  488    HB3  ALA  60           2HB      ALA  60  -2.340 -14.539   7.052
  489    H    ILE  61           H        ILE  61  -0.617 -11.051   4.800
  490    HA   ILE  61           HA       ILE  61  -1.800  -9.696   7.201
  491    HB   ILE  61           HB       ILE  61   0.638  -9.043   5.508
  492   HG12  ILE  61          2HG1      ILE  61   0.503  -9.617   8.476
  493   HG13  ILE  61          1HG1      ILE  61   0.729 -10.902   7.289
  494   HG21  ILE  61          1HG2      ILE  61   0.987  -7.160   7.060
  495   HG22  ILE  61          2HG2      ILE  61  -0.520  -7.553   7.886
  496   HG23  ILE  61          3HG2      ILE  61  -0.552  -6.988   6.216
  497   HD11  ILE  61          3HD1      ILE  61   2.850  -9.820   8.327
  498   HD12  ILE  61          1HD1      ILE  61   2.492  -8.456   7.267
  499   HD13  ILE  61          2HD1      ILE  61   2.808 -10.049   6.578
  500    H    ARG  62           H        ARG  62  -2.923  -7.700   6.770
  501    HA   ARG  62           HA       ARG  62  -3.417  -7.101   3.881
  502    HE   ARG  62           HE       ARG  62  -7.356  -6.142   8.157
  503    HB2  ARG  62           2HB      ARG  62  -5.814  -6.578   4.770
  504    HB3  ARG  62           1HB      ARG  62  -5.358  -8.255   4.501
  505    HG2  ARG  62           2HG      ARG  62  -4.996  -8.631   6.833
  506    HG3  ARG  62           1HG      ARG  62  -5.037  -6.903   7.188
  507    HD2  ARG  62           2HD      ARG  62  -7.487  -7.235   6.011
  508    HD3  ARG  62           1HD      ARG  62  -7.283  -8.795   6.834
  509   HH11  ARG  62          2HH1      ARG  62  -5.176  -7.946   9.279
  510   HH12  ARG  62          1HH1      ARG  62  -6.019  -8.746  10.562
  511   HH21  ARG  62          1HH2      ARG  62  -9.171  -7.864   9.392
  512   HH22  ARG  62          2HH2      ARG  62  -8.290  -8.700  10.626
  513    H    GLY  63           H        GLY  63  -4.279  -4.902   3.534
  514    HA2  GLY  63           2HA      GLY  63  -3.654  -2.976   5.723
  515    HA3  GLY  63           1HA      GLY  63  -2.915  -2.744   4.139
  516    H    GLU  64           H        GLU  64  -4.743  -0.903   5.444
  517    HA   GLU  64           HA       GLU  64  -6.673  -0.604   3.247
  518    HB2  GLU  64           2HB      GLU  64  -7.963  -2.072   4.562
  519    HB3  GLU  64           1HB      GLU  64  -7.417  -1.353   6.073
  520    HG2  GLU  64           2HG      GLU  64  -8.860   0.465   5.880
  521    HG3  GLU  64           1HG      GLU  64  -8.941   0.345   4.122
  522    H    ALA  65           H        ALA  65  -7.629   1.483   3.217
  523    HA   ALA  65           HA       ALA  65  -7.069   3.461   5.301
  524    HB1  ALA  65           3HB      ALA  65  -5.431   3.232   2.781
  525    HB2  ALA  65           1HB      ALA  65  -4.875   3.452   4.440
  526    HB3  ALA  65           2HB      ALA  65  -5.633   4.791   3.579
  527    H    SER  66           H        SER  66  -8.151   5.482   4.859
  528    HA   SER  66           HA       SER  66  -9.750   5.611   2.335
  529    HG   SER  66           HG       SER  66 -10.615   4.109   5.318
  530    HB2  SER  66           2HB      SER  66 -10.903   6.193   5.064
  531    HB3  SER  66           1HB      SER  66 -11.769   5.930   3.556
  532    H    THR  67           H        THR  67 -10.316   7.749   1.718
  533    HA   THR  67           HA       THR  67  -9.840  10.088   3.353
  534    HB   THR  67           HB       THR  67  -7.509   9.341   2.974
  535    HG1  THR  67           HG1      THR  67  -7.271  11.431   1.364
  536   HG21  THR  67          3HG2      THR  67  -8.036   9.796   0.026
  537   HG22  THR  67          1HG2      THR  67  -8.042   8.199   0.774
  538   HG23  THR  67          2HG2      THR  67  -6.566   9.163   0.769
  539    H    ARG  68           H        ARG  68 -10.120  12.112   2.023
  540    HA   ARG  68           HA       ARG  68 -12.285  11.902   0.153
  541    HE   ARG  68           HE       ARG  68 -13.885  14.130   3.989
  542    HB2  ARG  68           2HB      ARG  68 -10.367  14.018   1.092
  543    HB3  ARG  68           1HB      ARG  68 -11.413  14.372  -0.282
  544    HG2  ARG  68           2HG      ARG  68 -12.881  15.006   1.354
  545    HG3  ARG  68           1HG      ARG  68 -13.230  13.278   1.409
  546    HD2  ARG  68           2HD      ARG  68 -11.835  12.945   3.314
  547    HD3  ARG  68           1HD      ARG  68 -11.054  14.527   3.112
  548   HH11  ARG  68          2HH1      ARG  68 -13.597  16.717   2.617
  549   HH12  ARG  68          1HH1      ARG  68 -13.100  17.786   3.887
  550   HH21  ARG  68          1HH2      ARG  68 -12.150  15.218   6.030
  551   HH22  ARG  68          2HH2      ARG  68 -12.275  16.934   5.826
  552    H    SER  69           H        SER  69  -8.775  12.055  -0.274
  553    HA   SER  69           HA       SER  69  -8.721  12.612  -3.090
  554    HG   SER  69           HG       SER  69  -6.227  12.730  -0.428
  555    HB2  SER  69           2HB      SER  69  -6.499  10.994  -2.333
  556    HB3  SER  69           1HB      SER  69  -6.545  12.742  -2.509
  557    H    GLN  70           H        GLN  70  -8.936  11.252  -4.844
  558    HA   GLN  70           HA       GLN  70 -10.046   8.581  -4.463
  559    HB2  GLN  70           2HB      GLN  70  -9.395  10.446  -6.721
  560    HB3  GLN  70           1HB      GLN  70  -9.685   8.749  -7.100
  561    HG2  GLN  70           2HG      GLN  70 -11.901   8.837  -6.461
  562    HG3  GLN  70           1HG      GLN  70 -11.622  10.115  -5.279
  563   HE21  GLN  70          1HE2      GLN  70 -12.739  11.959  -5.955
  564   HE22  GLN  70          2HE2      GLN  70 -12.802  12.525  -7.555
  565    H    SER  71           H        SER  71  -7.099   9.758  -6.161
  566    HA   SER  71           HA       SER  71  -5.955   7.079  -6.331
  567    HG   SER  71           HG       SER  71  -3.718   8.413  -8.513
  568    HB2  SER  71           2HB      SER  71  -5.677   9.298  -7.776
  569    HB3  SER  71           1HB      SER  71  -4.373   9.611  -6.635
  570    H    GLY  72           H        GLY  72  -5.647   9.853  -4.160
  571    HA2  GLY  72           2HA      GLY  72  -3.262   9.116  -2.801
  572    HA3  GLY  72           1HA      GLY  72  -4.553  10.095  -2.104
  573    H    VAL  73           H        VAL  73  -6.647   8.106  -2.276
  574    HA   VAL  73           HA       VAL  73  -6.301   6.726   0.184
  575    HB   VAL  73           HB       VAL  73  -8.389   7.297  -1.355
  576   HG11  VAL  73          1HG1      VAL  73  -7.974   4.377  -2.028
  577   HG12  VAL  73          2HG1      VAL  73  -7.583   5.683  -3.145
  578   HG13  VAL  73          3HG1      VAL  73  -9.246   5.448  -2.614
  579   HG21  VAL  73          3HG2      VAL  73  -8.373   6.337   0.976
  580   HG22  VAL  73          1HG2      VAL  73  -8.332   4.730   0.251
  581   HG23  VAL  73          2HG2      VAL  73  -9.719   5.785  -0.021
  582    H    ALA  74           H        ALA  74  -5.629   5.679  -3.145
  583    HA   ALA  74           HA       ALA  74  -5.120   2.909  -2.540
  584    HB1  ALA  74           3HB      ALA  74  -5.589   3.641  -4.792
  585    HB2  ALA  74           1HB      ALA  74  -3.924   3.059  -4.781
  586    HB3  ALA  74           2HB      ALA  74  -4.252   4.791  -4.754
  587    H    GLY  75           H        GLY  75  -3.032   5.793  -2.705
  588    HA2  GLY  75           2HA      GLY  75  -0.551   4.436  -2.282
  589    HA3  GLY  75           1HA      GLY  75  -0.838   6.146  -1.961
  590    H    LYS  76           H        LYS  76  -2.995   5.732  -0.059
  591    HA   LYS  76           HA       LYS  76  -1.451   5.350   2.352
  592    HB2  LYS  76           2HB      LYS  76  -3.587   6.768   1.797
  593    HB3  LYS  76           1HB      LYS  76  -4.456   5.283   2.180
  594    HG2  LYS  76           2HG      LYS  76  -4.192   5.639   4.387
  595    HG3  LYS  76           1HG      LYS  76  -2.445   5.773   4.192
  596    HD2  LYS  76           2HD      LYS  76  -3.815   8.135   3.175
  597    HD3  LYS  76           1HD      LYS  76  -4.200   7.843   4.870
  598    HE2  LYS  76           2HE      LYS  76  -2.204   9.213   4.829
  599    HE3  LYS  76           1HE      LYS  76  -1.686   7.573   5.268
  600    HZ1  LYS  76           3HZ      LYS  76  -0.447   8.736   3.370
  601    HZ2  LYS  76           1HZ      LYS  76  -1.829   8.427   2.439
  602    HZ3  LYS  76           2HZ      LYS  76  -0.955   7.136   3.116
  603    H    THR  77           H        THR  77  -3.817   3.345   0.590
  604    HA   THR  77           HA       THR  77  -3.991   1.245   2.540
  605    HB   THR  77           HB       THR  77  -4.462   1.447  -0.448
  606    HG1  THR  77           HG1      THR  77  -6.230   2.287   0.252
  607   HG21  THR  77          3HG2      THR  77  -5.945  -0.682   0.225
  608   HG22  THR  77          1HG2      THR  77  -4.631  -0.898   1.381
  609   HG23  THR  77          2HG2      THR  77  -4.286  -0.838  -0.347
  610    H    ALA  78           H        ALA  78  -1.837   1.792  -0.236
  611    HA   ALA  78           HA       ALA  78  -0.494  -0.782   0.036
  612    HB1  ALA  78           3HB      ALA  78   1.128   0.616  -1.543
  613    HB2  ALA  78           1HB      ALA  78  -0.240   1.727  -1.587
  614    HB3  ALA  78           2HB      ALA  78  -0.437   0.062  -2.135
  615    H    LYS  79           H        LYS  79   0.118   2.563   1.088
  616    HA   LYS  79           HA       LYS  79   2.805   2.056   2.060
  617    HB2  LYS  79           2HB      LYS  79   1.449   4.263   1.465
  618    HB3  LYS  79           1HB      LYS  79   1.016   4.194   3.173
  619    HG2  LYS  79           2HG      LYS  79   3.801   3.659   3.012
  620    HG3  LYS  79           1HG      LYS  79   3.491   5.055   1.980
  621    HD2  LYS  79           2HD      LYS  79   1.958   5.661   4.169
  622    HD3  LYS  79           1HD      LYS  79   3.310   4.810   4.915
  623    HE2  LYS  79           2HE      LYS  79   4.176   6.975   4.843
  624    HE3  LYS  79           1HE      LYS  79   4.733   6.369   3.271
  625    HZ1  LYS  79           3HZ      LYS  79   2.500   8.173   3.881
  626    HZ2  LYS  79           1HZ      LYS  79   2.330   7.121   2.560
  627    HZ3  LYS  79           2HZ      LYS  79   3.615   8.232   2.598
  628    H    ASP  80           H        ASP  80  -0.442   2.035   3.537
  629    HA   ASP  80           HA       ASP  80   0.413   1.627   6.257
  630    HB2  ASP  80           2HB      ASP  80  -2.098   1.094   4.655
  631    HB3  ASP  80           1HB      ASP  80  -2.001   0.651   6.356
  632    H    PHE  81           H        PHE  81  -0.279  -0.588   3.562
  633    HA   PHE  81           HA       PHE  81  -0.108  -3.037   5.079
  634    HD1  PHE  81           HD2      PHE  81  -0.937  -5.167   4.296
  635    HD2  PHE  81           HD1      PHE  81   1.562  -3.949   1.021
  636    HE1  PHE  81           HE2      PHE  81  -0.305  -7.531   3.897
  637    HE2  PHE  81           HE1      PHE  81   2.189  -6.313   0.621
  638    HZ   PHE  81           HZ       PHE  81   1.256  -8.105   2.058
  639    HB2  PHE  81           2HB      PHE  81  -1.190  -2.869   2.893
  640    HB3  PHE  81           1HB      PHE  81   0.321  -2.343   2.151
  641    H    VAL  82           H        VAL  82   2.276  -1.100   3.258
  642    HA   VAL  82           HA       VAL  82   4.489  -2.923   3.546
  643    HB   VAL  82           HB       VAL  82   4.282   0.080   3.125
  644   HG11  VAL  82          1HG1      VAL  82   6.685  -0.706   2.039
  645   HG12  VAL  82          2HG1      VAL  82   6.617  -1.682   3.505
  646   HG13  VAL  82          3HG1      VAL  82   6.504   0.074   3.610
  647   HG21  VAL  82          3HG2      VAL  82   5.098  -1.953   1.067
  648   HG22  VAL  82          1HG2      VAL  82   4.338  -0.378   0.836
  649   HG23  VAL  82          2HG2      VAL  82   3.387  -1.737   1.436
  650    H    ARG  83           H        ARG  83   3.266  -0.232   5.547
  651    HA   ARG  83           HA       ARG  83   5.441  -0.142   7.422
  652    HE   ARG  83           HE       ARG  83   5.695   3.945   9.483
  653    HB2  ARG  83           2HB      ARG  83   2.841   1.019   6.988
  654    HB3  ARG  83           1HB      ARG  83   2.957   0.510   8.669
  655    HG2  ARG  83           2HG      ARG  83   5.302   1.941   7.499
  656    HG3  ARG  83           1HG      ARG  83   3.864   2.893   7.866
  657    HD2  ARG  83           2HD      ARG  83   3.982   1.570  10.176
  658    HD3  ARG  83           1HD      ARG  83   5.698   1.439   9.740
  659   HH11  ARG  83          2HH1      ARG  83   5.223   3.243  12.386
  660   HH12  ARG  83          1HH1      ARG  83   3.881   4.263  12.779
  661   HH21  ARG  83          1HH2      ARG  83   3.059   4.897   9.462
  662   HH22  ARG  83          2HH2      ARG  83   2.650   5.205  11.117
  663    H    LYS  84           H        LYS  84   2.435  -2.059   7.306
  664    HA   LYS  84           HA       LYS  84   2.813  -3.311   9.898
  665    HB2  LYS  84           2HB      LYS  84   0.896  -3.216   7.791
  666    HB3  LYS  84           1HB      LYS  84   1.304  -4.915   8.034
  667    HG2  LYS  84           2HG      LYS  84   1.074  -3.766  10.617
  668    HG3  LYS  84           1HG      LYS  84  -0.315  -3.203   9.690
  669    HD2  LYS  84           2HD      LYS  84   0.318  -6.055   9.296
  670    HD3  LYS  84           1HD      LYS  84  -0.167  -5.644  10.940
  671    HE2  LYS  84           2HE      LYS  84  -1.776  -4.544   8.650
  672    HE3  LYS  84           1HE      LYS  84  -2.022  -6.229   9.149
  673    HZ1  LYS  84           3HZ      LYS  84  -2.380  -5.529  11.401
  674    HZ2  LYS  84           1HZ      LYS  84  -3.420  -4.633  10.404
  675    HZ3  LYS  84           2HZ      LYS  84  -2.009  -3.914  11.022
  676    H    ALA  85           H        ALA  85   3.669  -4.161   6.550
  677    HA   ALA  85           HA       ALA  85   4.695  -6.802   7.100
  678    HB1  ALA  85           3HB      ALA  85   5.534  -6.620   4.844
  679    HB2  ALA  85           1HB      ALA  85   5.516  -4.858   4.922
  680    HB3  ALA  85           2HB      ALA  85   3.998  -5.755   4.883
  681    H    PHE  86           H        PHE  86   6.129  -3.547   7.132
  682    HA   PHE  86           HA       PHE  86   8.875  -4.387   7.421
  683    HD1  PHE  86           HD1      PHE  86  10.884  -2.639   8.252
  684    HD2  PHE  86           HD2      PHE  86   8.132  -1.446   5.176
  685    HE1  PHE  86           HE1      PHE  86  12.787  -2.168   6.732
  686    HE2  PHE  86           HE2      PHE  86  10.034  -0.977   3.657
  687    HZ   PHE  86           HZ       PHE  86  12.362  -1.337   4.434
  688    HB2  PHE  86           2HB      PHE  86   7.312  -1.976   7.301
  689    HB3  PHE  86           1HB      PHE  86   8.394  -1.869   8.687
  690    H    GLN  87           H        GLN  87   6.270  -3.643   9.742
  691    HA   GLN  87           HA       GLN  87   7.873  -3.821  12.129
  692    HB2  GLN  87           2HB      GLN  87   4.969  -3.952  11.376
  693    HB3  GLN  87           1HB      GLN  87   5.438  -4.386  13.020
  694    HG2  GLN  87           2HG      GLN  87   6.223  -2.248  13.509
  695    HG3  GLN  87           1HG      GLN  87   6.507  -1.856  11.812
  696   HE21  GLN  87          1HE2      GLN  87   5.127  -0.056  11.505
  697   HE22  GLN  87          2HE2      GLN  87   3.457  -0.083  11.812
  698    H    LYS  88           H        LYS  88   5.989  -6.237  10.290
  699    HA   LYS  88           HA       LYS  88   6.415  -8.394  12.184
  700    HB2  LYS  88           2HB      LYS  88   4.972  -7.859   9.776
  701    HB3  LYS  88           1HB      LYS  88   5.922  -9.321   9.511
  702    HG2  LYS  88           2HG      LYS  88   4.312  -8.955  12.036
  703    HG3  LYS  88           1HG      LYS  88   3.568  -9.586  10.566
  704    HD2  LYS  88           2HD      LYS  88   5.064 -11.457  10.503
  705    HD3  LYS  88           1HD      LYS  88   6.092 -10.759  11.755
  706    HE2  LYS  88           2HE      LYS  88   3.843 -10.819  13.179
  707    HE3  LYS  88           1HE      LYS  88   3.426 -12.108  12.033
  708    HZ1  LYS  88           3HZ      LYS  88   5.644 -13.086  12.480
  709    HZ2  LYS  88           1HZ      LYS  88   4.636 -13.078  13.844
  710    HZ3  LYS  88           2HZ      LYS  88   5.881 -11.930  13.704
  711    H    GLY  89           H        GLY  89   7.805  -7.761   8.932
  712    HA2  GLY  89           2HA      GLY  89  10.382  -7.935   8.969
  713    HA3  GLY  89           1HA      GLY  89  10.081  -9.529   9.654
  714    H    LEU  90           H        LEU  90   8.661  -7.698   6.915
  715    HA   LEU  90           HA       LEU  90   9.170 -10.109   5.211
  716    HG   LEU  90           HG       LEU  90   6.790 -10.690   6.408
  717    HB2  LEU  90           2HB      LEU  90   6.810  -8.365   5.685
  718    HB3  LEU  90           1HB      LEU  90   7.080  -8.852   4.013
  719   HD11  LEU  90          1HD1      LEU  90   5.110 -10.828   3.939
  720   HD12  LEU  90          2HD1      LEU  90   4.792  -9.523   5.083
  721   HD13  LEU  90          3HD1      LEU  90   4.685 -11.202   5.609
  722   HD21  LEU  90          3HD2      LEU  90   7.849 -11.115   3.651
  723   HD22  LEU  90          1HD2      LEU  90   6.756 -12.348   4.277
  724   HD23  LEU  90          2HD2      LEU  90   8.241 -11.963   5.147
  725    H    ILE  91           H        ILE  91   8.681  -6.556   5.071
  726    HA   ILE  91           HA       ILE  91  10.145  -6.455   2.498
  727    HB   ILE  91           HB       ILE  91   8.629  -4.417   4.164
  728   HG12  ILE  91          2HG1      ILE  91   7.962  -5.695   1.491
  729   HG13  ILE  91          1HG1      ILE  91   7.320  -6.254   3.036
  730   HG21  ILE  91          1HG2      ILE  91  10.449  -3.368   2.819
  731   HG22  ILE  91          2HG2      ILE  91   8.847  -2.915   2.239
  732   HG23  ILE  91          3HG2      ILE  91   9.788  -4.128   1.372
  733   HD11  ILE  91          3HD1      ILE  91   6.310  -4.167   1.398
  734   HD12  ILE  91          1HD1      ILE  91   6.961  -3.406   2.849
  735   HD13  ILE  91          2HD1      ILE  91   5.732  -4.663   2.988
  736    H    SER  92           H        SER  92  12.348  -6.388   2.710
  737    HA   SER  92           HA       SER  92  13.651  -5.267   5.095
  738    HG   SER  92           HG       SER  92  14.432  -8.205   3.943
  739    HB2  SER  92           2HB      SER  92  14.459  -6.658   2.556
  740    HB3  SER  92           1HB      SER  92  15.689  -5.858   3.530
  741    H    GLN  93           H        GLN  93  15.705  -3.803   4.467
  742    HA   GLN  93           HA       GLN  93  14.643  -1.316   3.393
  743    HB2  GLN  93           2HB      GLN  93  16.252  -1.522   5.289
  744    HB3  GLN  93           1HB      GLN  93  17.464  -2.139   4.169
  745    HG2  GLN  93           2HG      GLN  93  17.972   0.161   4.320
  746    HG3  GLN  93           1HG      GLN  93  17.038   0.041   2.829
  747   HE21  GLN  93          1HE2      GLN  93  17.031   1.323   6.098
  748   HE22  GLN  93          2HE2      GLN  93  15.547   2.139   5.978
  749    H    GLN  94           H        GLN  94  17.479  -3.292   2.388
  750    HA   GLN  94           HA       GLN  94  17.845  -1.991  -0.138
  751    HB2  GLN  94           2HB      GLN  94  18.609  -4.674   1.036
  752    HB3  GLN  94           1HB      GLN  94  19.102  -4.208  -0.591
  753    HG2  GLN  94           2HG      GLN  94  20.788  -2.982   0.250
  754    HG3  GLN  94           1HG      GLN  94  19.640  -2.014   1.175
  755   HE21  GLN  94          1HE2      GLN  94  19.351  -2.524   3.437
  756   HE22  GLN  94          2HE2      GLN  94  20.321  -3.660   4.241
  757    H    GLU  95           H        GLU  95  15.967  -4.860   0.813
  758    HA   GLU  95           HA       GLU  95  15.226  -5.872  -1.719
  759    HB2  GLU  95           2HB      GLU  95  14.805  -6.624   0.761
  760    HB3  GLU  95           1HB      GLU  95  13.326  -5.681   0.607
  761    HG2  GLU  95           2HG      GLU  95  12.797  -7.007  -1.475
  762    HG3  GLU  95           1HG      GLU  95  14.171  -8.043  -1.088
  763    H    ALA  96           H        ALA  96  13.644  -3.317   0.235
  764    HA   ALA  96           HA       ALA  96  11.471  -2.790  -1.555
  765    HB1  ALA  96           3HB      ALA  96  11.539  -2.016   0.762
  766    HB2  ALA  96           1HB      ALA  96  11.436  -0.609  -0.296
  767    HB3  ALA  96           2HB      ALA  96  12.980  -1.054   0.431
  768    H    ASN  97           H        ASN  97  14.776  -1.456  -1.361
  769    HA   ASN  97           HA       ASN  97  14.466   0.540  -3.409
  770    HB2  ASN  97           2HB      ASN  97  16.351  -0.116  -1.580
  771    HB3  ASN  97           1HB      ASN  97  17.079  -0.840  -3.014
  772   HD21  ASN  97          1HD2      ASN  97  16.818   0.822  -5.059
  773   HD22  ASN  97          2HD2      ASN  97  17.298   2.410  -4.704
  774    H    GLN  98           H        GLN  98  15.436  -2.891  -3.502
  775    HA   GLN  98           HA       GLN  98  16.170  -2.966  -6.280
  776    HB2  GLN  98           2HB      GLN  98  15.189  -5.009  -4.265
  777    HB3  GLN  98           1HB      GLN  98  15.680  -5.461  -5.897
  778    HG2  GLN  98           2HG      GLN  98  17.916  -4.781  -5.542
  779    HG3  GLN  98           1HG      GLN  98  17.490  -3.818  -4.128
  780   HE21  GLN  98          1HE2      GLN  98  18.178  -7.094  -5.249
  781   HE22  GLN  98          2HE2      GLN  98  18.195  -7.811  -3.710
  782    H    TRP  99           H        TRP  99  13.075  -3.530  -4.582
  783    HA   TRP  99           HA       TRP  99  11.577  -4.257  -6.948
  784    HD1  TRP  99           HD1      TRP  99   9.745  -5.845  -6.854
  785    HE1  TRP  99           HE1      TRP  99   7.241  -5.694  -7.443
  786    HE3  TRP  99           HE3      TRP  99   8.431  -1.751  -4.092
  787    HZ2  TRP  99           HZ2      TRP  99   4.980  -4.053  -6.824
  788    HZ3  TRP  99           HZ3      TRP  99   6.099  -0.928  -4.109
  789    HH2  TRP  99           HH2      TRP  99   4.373  -2.067  -5.473
  790    HB2  TRP  99           2HB      TRP  99  10.997  -4.671  -4.505
  791    HB3  TRP  99           1HB      TRP  99  10.575  -2.963  -4.394
  792    H    LEU 100           H        LEU 100  12.196  -1.198  -5.240
  793    HA   LEU 100           HA       LEU 100  10.452   0.534  -6.653
  794    HG   LEU 100           HG       LEU 100  10.947   0.576  -4.068
  795    HB2  LEU 100           2HB      LEU 100  13.161   0.825  -5.343
  796    HB3  LEU 100           1HB      LEU 100  12.416   2.202  -6.153
  797   HD11  LEU 100          1HD1      LEU 100  11.531   2.719  -2.657
  798   HD12  LEU 100          2HD1      LEU 100  12.896   2.843  -3.766
  799   HD13  LEU 100          3HD1      LEU 100  12.700   1.403  -2.766
  800   HD21  LEU 100          3HD2      LEU 100   9.653   2.735  -3.910
  801   HD22  LEU 100          1HD2      LEU 100   9.517   1.937  -5.476
  802   HD23  LEU 100          2HD2      LEU 100  10.580   3.331  -5.286
  803    H    SER 101           H        SER 101  13.729  -0.621  -7.492
  804    HA   SER 101           HA       SER 101  13.933   0.913  -9.945
  805    HG   SER 101           HG       SER 101  15.864   1.128  -8.586
  806    HB2  SER 101           2HB      SER 101  15.342  -1.618  -9.033
  807    HB3  SER 101           1HB      SER 101  15.904  -0.522 -10.291
  808    H    SER 102           HN       SER 102  13.056  -2.474  -9.188
  809    HA   SER 102           HA       SER 102  11.636  -2.635 -11.802
  810    HG   SER 102           HG       SER 102  14.160  -3.026 -12.794
  811    HB2  SER 102           2HB      SER 102  14.045  -4.070 -10.897
  812    HB3  SER 102           1HB      SER 102  12.783  -5.130 -11.517
  Start of MODEL    3
    1    HA   GLU   1           HA       GLU   1  13.199  20.981   7.962
    2    H1   GLU   1           1H       GLU   1  15.343  21.096   9.138
    3    H2   GLU   1           2H       GLU   1  16.137  20.518   7.751
    4    H3   GLU   1           3H       GLU   1  15.025  19.529   8.572
    5    HB2  GLU   1           2HB      GLU   1  15.574  22.622   7.226
    6    HB3  GLU   1           1HB      GLU   1  14.169  22.774   6.172
    7    HG2  GLU   1           2HG      GLU   1  13.523  24.327   7.723
    8    HG3  GLU   1           1HG      GLU   1  12.947  22.903   8.589
    9    H    ALA   2           H        ALA   2  12.095  20.553   5.985
   10    HA   ALA   2           HA       ALA   2  11.647  19.349   4.008
   11    HB1  ALA   2           3HB      ALA   2  14.515  20.100   3.369
   12    HB2  ALA   2           1HB      ALA   2  13.182  21.253   3.306
   13    HB3  ALA   2           2HB      ALA   2  13.193  19.857   2.229
   14    H    TYR   3           H        TYR   3  11.721  17.353   5.468
   15    HA   TYR   3           HA       TYR   3  13.711  15.431   4.376
   16    HD1  TYR   3           HD1      TYR   3  12.903  18.003   7.544
   17    HD2  TYR   3           HD2      TYR   3  12.828  13.748   8.119
   18    HE1  TYR   3           HE1      TYR   3  11.409  18.293   9.500
   19    HE2  TYR   3           HE2      TYR   3  11.333  14.037  10.073
   20    HH   TYR   3           HH       TYR   3   9.549  16.475  10.678
   21    HB2  TYR   3           2HB      TYR   3  14.399  14.735   6.600
   22    HB3  TYR   3           1HB      TYR   3  14.599  16.482   6.489
   23    H    VAL   4           H        VAL   4  13.020  13.194   4.642
   24    HA   VAL   4           HA       VAL   4  10.157  12.850   5.470
   25    HB   VAL   4           HB       VAL   4  10.501  13.108   2.995
   26   HG11  VAL   4          1HG1      VAL   4  11.528  10.509   2.414
   27   HG12  VAL   4          2HG1      VAL   4  12.654  11.293   3.520
   28   HG13  VAL   4          3HG1      VAL   4  12.228  12.073   1.998
   29   HG21  VAL   4          3HG2      VAL   4   8.793  11.489   4.250
   30   HG22  VAL   4          1HG2      VAL   4   9.723  10.248   3.408
   31   HG23  VAL   4          2HG2      VAL   4   8.906  11.513   2.490
   32    H    GLN   5           H        GLN   5  12.686  12.204   6.903
   33    HA   GLN   5           HA       GLN   5  13.579  10.452   8.195
   34    HB2  GLN   5           2HB      GLN   5  10.758   9.794   7.573
   35    HB3  GLN   5           1HB      GLN   5  11.737   8.435   8.123
   36    HG2  GLN   5           2HG      GLN   5  12.474   9.811  10.075
   37    HG3  GLN   5           1HG      GLN   5  11.370  11.084   9.551
   38   HE21  GLN   5          1HE2      GLN   5  11.502   7.769  10.849
   39   HE22  GLN   5          2HE2      GLN   5   9.870   7.710  11.315
   40    H    GLY   6           H        GLY   6  13.771   7.791   7.990
   41    HA2  GLY   6           2HA      GLY   6  14.883   7.351   5.258
   42    HA3  GLY   6           1HA      GLY   6  15.488   6.568   6.717
   43    H    TRP   7           H        TRP   7  13.596   5.327   7.925
   44    HA   TRP   7           HA       TRP   7  12.772   3.136   6.302
   45    HD1  TRP   7           HD1      TRP   7  14.822   2.648   7.995
   46    HE1  TRP   7           HE1      TRP   7  15.304   0.185   8.591
   47    HE3  TRP   7           HE3      TRP   7  10.136   1.135   9.352
   48    HZ2  TRP   7           HZ2      TRP   7  13.887  -2.120   9.519
   49    HZ3  TRP   7           HZ3      TRP   7   9.731  -1.197  10.088
   50    HH2  TRP   7           HH2      TRP   7  11.600  -2.825  10.174
   51    HB2  TRP   7           2HB      TRP   7  12.441   4.146   9.033
   52    HB3  TRP   7           1HB      TRP   7  11.018   3.268   8.477
   53    H    GLU   8           H        GLU   8  10.900   5.955   7.471
   54    HA   GLU   8           HA       GLU   8   8.398   5.286   6.283
   55    HB2  GLU   8           2HB      GLU   8   9.734   7.545   7.559
   56    HB3  GLU   8           1HB      GLU   8   8.657   8.084   6.272
   57    HG2  GLU   8           2HG      GLU   8   7.200   7.978   8.095
   58    HG3  GLU   8           1HG      GLU   8   6.957   6.401   7.347
   59    H    ALA   9           H        ALA   9  11.209   7.056   4.988
   60    HA   ALA   9           HA       ALA   9  10.052   7.869   2.504
   61    HB1  ALA   9           3HB      ALA   9  12.354   8.269   1.879
   62    HB2  ALA   9           1HB      ALA   9  12.931   7.102   3.068
   63    HB3  ALA   9           2HB      ALA   9  12.216   8.623   3.601
   64    H    VAL  10           H        VAL  10  11.798   4.903   3.462
   65    HA   VAL  10           HA       VAL  10  11.816   3.676   0.854
   66    HB   VAL  10           HB       VAL  10  11.877   2.520   3.667
   67   HG11  VAL  10          1HG1      VAL  10  11.310   0.791   2.026
   68   HG12  VAL  10          2HG1      VAL  10  12.970   0.566   2.580
   69   HG13  VAL  10          3HG1      VAL  10  12.658   1.292   1.004
   70   HG21  VAL  10          3HG2      VAL  10  13.962   3.373   3.756
   71   HG22  VAL  10          1HG2      VAL  10  13.772   4.054   2.142
   72   HG23  VAL  10          2HG2      VAL  10  14.396   2.416   2.340
   73    H    ALA  11           H        ALA  11   9.546   3.585   3.588
   74    HA   ALA  11           HA       ALA  11   7.743   1.636   2.487
   75    HB1  ALA  11           3HB      ALA  11   7.831   2.283   4.863
   76    HB2  ALA  11           1HB      ALA  11   6.217   2.587   4.221
   77    HB3  ALA  11           2HB      ALA  11   7.344   3.926   4.444
   78    H    ALA  12           H        ALA  12   7.931   5.185   2.289
   79    HA   ALA  12           HA       ALA  12   5.467   5.636   0.907
   80    HB1  ALA  12           3HB      ALA  12   6.836   7.356   2.058
   81    HB2  ALA  12           1HB      ALA  12   6.538   7.806   0.378
   82    HB3  ALA  12           2HB      ALA  12   8.103   7.143   0.850
   83    H    ALA  13           H        ALA  13   8.778   4.957  -0.253
   84    HA   ALA  13           HA       ALA  13   8.258   5.281  -3.052
   85    HB1  ALA  13           3HB      ALA  13  10.481   5.135  -1.856
   86    HB2  ALA  13           1HB      ALA  13  10.373   4.104  -3.283
   87    HB3  ALA  13           2HB      ALA  13  10.203   3.403  -1.674
   88    H    VAL  14           H        VAL  14   8.034   2.445  -0.888
   89    HA   VAL  14           HA       VAL  14   7.335   0.530  -2.917
   90    HB   VAL  14           HB       VAL  14   6.670   0.661   0.048
   91   HG11  VAL  14          1HG1      VAL  14   6.510  -1.803  -0.121
   92   HG12  VAL  14          2HG1      VAL  14   6.779  -1.698  -1.859
   93   HG13  VAL  14          3HG1      VAL  14   5.315  -1.014  -1.151
   94   HG21  VAL  14          3HG2      VAL  14   8.812   0.055   0.476
   95   HG22  VAL  14          1HG2      VAL  14   9.169   0.553  -1.178
   96   HG23  VAL  14          2HG2      VAL  14   8.813  -1.137  -0.825
   97    H    ALA  15           H        ALA  15   5.405   2.704  -0.858
   98    HA   ALA  15           HA       ALA  15   2.808   1.763  -1.624
   99    HB1  ALA  15           3HB      ALA  15   4.021   4.223  -0.419
  100    HB2  ALA  15           1HB      ALA  15   2.825   3.122   0.264
  101    HB3  ALA  15           2HB      ALA  15   2.343   4.303  -0.954
  102    H    SER  16           H        SER  16   5.006   4.189  -3.031
  103    HA   SER  16           HA       SER  16   3.177   5.233  -4.993
  104    HG   SER  16           HG       SER  16   5.536   7.387  -5.790
  105    HB2  SER  16           2HB      SER  16   5.483   6.076  -4.088
  106    HB3  SER  16           1HB      SER  16   6.167   5.033  -5.332
  107    H    LYS  17           H        LYS  17   5.542   2.560  -5.029
  108    HA   LYS  17           HA       LYS  17   5.256   1.902  -7.814
  109    HB2  LYS  17           2HB      LYS  17   7.065   1.222  -6.116
  110    HB3  LYS  17           1HB      LYS  17   5.924  -0.003  -5.559
  111    HG2  LYS  17           2HG      LYS  17   7.100  -1.203  -7.174
  112    HG3  LYS  17           1HG      LYS  17   5.755  -0.584  -8.130
  113    HD2  LYS  17           2HD      LYS  17   7.116   1.257  -8.949
  114    HD3  LYS  17           1HD      LYS  17   8.449   0.788  -7.893
  115    HE2  LYS  17           2HE      LYS  17   9.062  -0.993  -9.228
  116    HE3  LYS  17           1HE      LYS  17   7.397  -1.306  -9.750
  117    HZ1  LYS  17           3HZ      LYS  17   8.457  -0.333 -11.593
  118    HZ2  LYS  17           1HZ      LYS  17   9.215   0.856 -10.650
  119    HZ3  LYS  17           2HZ      LYS  17   7.535   0.922 -10.910
  120    H    ILE  18           H        ILE  18   3.414   1.031  -4.911
  121    HA   ILE  18           HA       ILE  18   1.910  -1.150  -5.991
  122    HB   ILE  18           HB       ILE  18   1.463   0.922  -3.832
  123   HG12  ILE  18          2HG1      ILE  18   3.146  -0.934  -3.529
  124   HG13  ILE  18          1HG1      ILE  18   1.857  -0.935  -2.330
  125   HG21  ILE  18          1HG2      ILE  18  -0.415  -0.845  -3.176
  126   HG22  ILE  18          2HG2      ILE  18  -0.454  -1.105  -4.919
  127   HG23  ILE  18          3HG2      ILE  18  -0.773   0.499  -4.259
  128   HD11  ILE  18          3HD1      ILE  18   1.705  -2.599  -4.853
  129   HD12  ILE  18          1HD1      ILE  18   0.727  -2.748  -3.392
  130   HD13  ILE  18          2HD1      ILE  18   2.430  -3.207  -3.364
  131    H    VAL  19           H        VAL  19   1.140   2.349  -5.775
  132    HA   VAL  19           HA       VAL  19  -1.312   2.169  -7.293
  133    HB   VAL  19           HB       VAL  19   0.597   4.399  -6.538
  134   HG11  VAL  19          1HG1      VAL  19  -0.367   5.454  -8.349
  135   HG12  VAL  19          2HG1      VAL  19  -1.631   5.755  -7.156
  136   HG13  VAL  19          3HG1      VAL  19  -1.806   4.434  -8.312
  137   HG21  VAL  19          3HG2      VAL  19  -2.242   3.843  -5.629
  138   HG22  VAL  19          1HG2      VAL  19  -1.079   4.951  -4.901
  139   HG23  VAL  19          2HG2      VAL  19  -0.825   3.209  -4.792
  140    H    GLY  20           H        GLY  20   2.070   2.872  -8.157
  141    HA2  GLY  20           2HA      GLY  20   1.547   3.572 -10.905
  142    HA3  GLY  20           1HA      GLY  20   3.112   3.096 -10.250
  143    H    LEU  21           H        LEU  21   1.959   0.500  -9.228
  144    HA   LEU  21           HA       LEU  21   1.831  -0.927 -11.859
  145    HG   LEU  21           HG       LEU  21   2.532  -3.105 -11.835
  146    HB2  LEU  21           2HB      LEU  21   3.805  -1.064 -10.100
  147    HB3  LEU  21           1HB      LEU  21   2.716  -2.182  -9.281
  148   HD11  LEU  21          1HD1      LEU  21   4.578  -2.969 -12.985
  149   HD12  LEU  21          2HD1      LEU  21   5.463  -2.467 -11.545
  150   HD13  LEU  21          3HD1      LEU  21   4.378  -1.335 -12.353
  151   HD21  LEU  21          3HD2      LEU  21   4.599  -3.818  -9.730
  152   HD22  LEU  21          1HD2      LEU  21   4.192  -4.839 -11.108
  153   HD23  LEU  21          2HD2      LEU  21   2.977  -4.492  -9.879
  154    H    TRP  22           H        TRP  22  -0.542   0.076 -10.419
  155    HA   TRP  22           HA       TRP  22  -1.747  -2.416  -9.320
  156    HD1  TRP  22           HD1      TRP  22  -3.598  -3.025  -8.129
  157    HE1  TRP  22           HE1      TRP  22  -6.107  -2.966  -7.540
  158    HE3  TRP  22           HE3      TRP  22  -4.528   1.966  -8.700
  159    HZ2  TRP  22           HZ2      TRP  22  -8.225  -1.060  -7.332
  160    HZ3  TRP  22           HZ3      TRP  22  -6.797   2.874  -8.298
  161    HH2  TRP  22           HH2      TRP  22  -8.646   1.369  -7.616
  162    HB2  TRP  22           2HB      TRP  22  -1.868  -0.421  -7.936
  163    HB3  TRP  22           1HB      TRP  22  -2.544   0.511  -9.268
  164    H    ARG  23           H        ARG  23  -3.364  -3.468 -10.414
  165    HA   ARG  23           HA       ARG  23  -4.229  -2.405 -13.065
  166    HE   ARG  23           HE       ARG  23  -2.610  -3.285 -15.360
  167    HB2  ARG  23           2HB      ARG  23  -3.194  -4.762 -12.457
  168    HB3  ARG  23           1HB      ARG  23  -4.834  -5.132 -11.933
  169    HG2  ARG  23           2HG      ARG  23  -5.411  -5.519 -14.074
  170    HG3  ARG  23           1HG      ARG  23  -5.037  -3.840 -14.462
  171    HD2  ARG  23           2HD      ARG  23  -2.604  -5.441 -14.192
  172    HD3  ARG  23           1HD      ARG  23  -3.682  -6.071 -15.454
  173   HH11  ARG  23          1HH2      ARG  23  -5.295  -3.374 -16.636
  174   HH12  ARG  23          2HH2      ARG  23  -4.915  -3.679 -18.296
  175   HH21  ARG  23          2HH1      ARG  23  -1.676  -4.752 -17.629
  176   HH22  ARG  23          1HH1      ARG  23  -2.858  -4.463 -18.862
  177    H    ASN  24           H        ASN  24  -6.711  -3.735 -13.255
  178    HA   ASN  24           HA       ASN  24  -8.581  -1.996 -12.108
  179    HB2  ASN  24           2HB      ASN  24  -8.566  -4.781 -13.174
  180    HB3  ASN  24           1HB      ASN  24  -9.996  -4.303 -12.260
  181   HD21  ASN  24          1HD2      ASN  24 -11.026  -2.148 -13.003
  182   HD22  ASN  24          2HD2      ASN  24 -10.972  -1.790 -14.660
  183    H    GLU  25           H        GLU  25  -7.422  -5.109 -10.777
  184    HA   GLU  25           HA       GLU  25  -7.877  -4.156  -8.027
  185    HB2  GLU  25           2HB      GLU  25  -9.419  -6.050  -7.517
  186    HB3  GLU  25           1HB      GLU  25 -10.095  -4.957  -8.720
  187    HG2  GLU  25           2HG      GLU  25 -10.444  -6.825  -9.959
  188    HG3  GLU  25           1HG      GLU  25  -8.716  -6.757 -10.292
  189    H    LYS  26           H        LYS  26  -5.554  -5.075  -9.620
  190    HA   LYS  26           HA       LYS  26  -4.680  -7.303  -7.832
  191    HB2  LYS  26           2HB      LYS  26  -5.573  -8.074 -10.090
  192    HB3  LYS  26           1HB      LYS  26  -4.214  -7.224 -10.824
  193    HG2  LYS  26           2HG      LYS  26  -3.127  -9.209 -10.556
  194    HG3  LYS  26           1HG      LYS  26  -2.931  -8.672  -8.889
  195    HD2  LYS  26           2HD      LYS  26  -4.255 -10.330  -8.135
  196    HD3  LYS  26           1HD      LYS  26  -5.541  -9.873  -9.252
  197    HE2  LYS  26           2HE      LYS  26  -4.872 -11.401 -10.865
  198    HE3  LYS  26           1HE      LYS  26  -3.168 -11.324 -10.378
  199    HZ1  LYS  26           3HZ      LYS  26  -4.368 -13.397  -9.681
  200    HZ2  LYS  26           1HZ      LYS  26  -5.305 -12.438  -8.642
  201    HZ3  LYS  26           2HZ      LYS  26  -3.623 -12.543  -8.414
  202    H    THR  27           H        THR  27  -2.426  -7.339  -7.445
  203    HA   THR  27           HA       THR  27  -0.660  -5.369  -8.778
  204    HB   THR  27           HB       THR  27  -1.657  -4.033  -7.025
  205    HG1  THR  27           HG1      THR  27   0.239  -3.381  -6.468
  206   HG21  THR  27          3HG2      THR  27  -2.702  -5.449  -5.521
  207   HG22  THR  27          1HG2      THR  27  -1.278  -4.994  -4.585
  208   HG23  THR  27          2HG2      THR  27  -1.323  -6.541  -5.429
  209    H    GLU  28           H        GLU  28   1.662  -5.740  -8.006
  210    HA   GLU  28           HA       GLU  28   2.019  -8.528  -6.954
  211    HB2  GLU  28           2HB      GLU  28   2.290  -8.239  -9.451
  212    HB3  GLU  28           1HB      GLU  28   3.647  -7.163  -9.117
  213    HG2  GLU  28           2HG      GLU  28   4.692  -9.035  -7.779
  214    HG3  GLU  28           1HG      GLU  28   3.411 -10.090  -8.371
  215    H    LEU  29           H        LEU  29   3.055  -8.334  -5.001
  216    HA   LEU  29           HA       LEU  29   4.944  -6.065  -4.578
  217    HG   LEU  29           HG       LEU  29   2.956  -5.297  -3.675
  218    HB2  LEU  29           2HB      LEU  29   3.220  -7.831  -2.903
  219    HB3  LEU  29           1HB      LEU  29   4.694  -7.210  -2.161
  220   HD11  LEU  29          1HD1      LEU  29   1.170  -5.807  -2.377
  221   HD12  LEU  29          2HD1      LEU  29   2.078  -5.062  -1.062
  222   HD13  LEU  29          3HD1      LEU  29   2.137  -6.810  -1.295
  223   HD21  LEU  29          3HD2      LEU  29   4.618  -5.113  -1.139
  224   HD22  LEU  29          1HD2      LEU  29   3.807  -3.762  -1.931
  225   HD23  LEU  29          2HD2      LEU  29   5.133  -4.592  -2.744
  226    H    LEU  30           H        LEU  30   7.076  -6.523  -4.872
  227    HA   LEU  30           HA       LEU  30   9.122  -7.684  -4.957
  228    HG   LEU  30           HG       LEU  30  10.527  -9.218  -3.695
  229    HB2  LEU  30           2HB      LEU  30   8.027  -8.002  -2.513
  230    HB3  LEU  30           1HB      LEU  30   8.083  -9.691  -3.014
  231   HD11  LEU  30          1HD1      LEU  30  11.548  -7.372  -2.300
  232   HD12  LEU  30          2HD1      LEU  30   9.911  -6.814  -1.955
  233   HD13  LEU  30          3HD1      LEU  30  10.515  -6.806  -3.611
  234   HD21  LEU  30          3HD2      LEU  30  10.100 -10.620  -1.807
  235   HD22  LEU  30          1HD2      LEU  30   9.548  -9.259  -0.831
  236   HD23  LEU  30          2HD2      LEU  30  11.255  -9.410  -1.246
  237    H    GLY  31           H        GLY  31   6.874  -8.586  -6.754
  238    HA2  GLY  31           2HA      GLY  31   6.939 -10.228  -8.489
  239    HA3  GLY  31           1HA      GLY  31   8.074 -11.170  -7.525
  240    H    HIS  32           H        HIS  32   5.910 -10.560  -5.238
  241    HA   HIS  32           HA       HIS  32   4.535 -13.132  -5.584
  242    HD1  HIS  32           HD1      HIS  32   5.727 -14.517  -4.056
  243    HD2  HIS  32           HD2      HIS  32   6.833 -10.978  -2.151
  244    HE1  HIS  32           HE1      HIS  32   8.008 -14.935  -3.036
  245    HB2  HIS  32           2HB      HIS  32   4.422 -10.967  -3.454
  246    HB3  HIS  32           1HB      HIS  32   3.704 -12.568  -3.306
  247    H    GLU  33           H        GLU  33   2.274 -13.365  -5.853
  248    HA   GLU  33           HA       GLU  33   0.903 -11.221  -7.264
  249    HB2  GLU  33           2HB      GLU  33   0.216 -13.986  -6.251
  250    HB3  GLU  33           1HB      GLU  33  -1.011 -12.967  -7.007
  251    HG2  GLU  33           2HG      GLU  33  -0.100 -13.185  -9.088
  252    HG3  GLU  33           1HG      GLU  33   1.555 -13.140  -8.478
  253    H    CYS  34           H        CYS  34  -0.459  -9.707  -6.412
  254    HA   CYS  34           HA       CYS  34  -1.469 -10.055  -3.617
  255    HB2  CYS  34           2HB      CYS  34   0.141  -7.846  -4.873
  256    HB3  CYS  34           1HB      CYS  34  -0.947  -7.483  -3.536
  257    H    LYS  35           H        LYS  35  -3.212  -8.334  -3.193
  258    HA   LYS  35           HA       LYS  35  -4.733  -7.683  -5.686
  259    HB2  LYS  35           2HB      LYS  35  -5.398  -9.781  -4.295
  260    HB3  LYS  35           1HB      LYS  35  -6.027  -8.615  -3.132
  261    HG2  LYS  35           2HG      LYS  35  -7.919  -8.718  -4.396
  262    HG3  LYS  35           1HG      LYS  35  -7.047  -7.626  -5.468
  263    HD2  LYS  35           2HD      LYS  35  -7.406  -9.218  -7.047
  264    HD3  LYS  35           1HD      LYS  35  -6.079 -10.070  -6.261
  265    HE2  LYS  35           2HE      LYS  35  -7.485 -11.731  -5.637
  266    HE3  LYS  35           1HE      LYS  35  -8.526 -10.563  -4.802
  267    HZ1  LYS  35           3HZ      LYS  35  -8.533 -11.118  -7.724
  268    HZ2  LYS  35           1HZ      LYS  35  -9.498  -9.960  -6.946
  269    HZ3  LYS  35           2HZ      LYS  35  -9.726 -11.612  -6.619
  270    H    PHE  36           H        PHE  36  -5.052  -5.518  -5.728
  271    HA   PHE  36           HA       PHE  36  -5.418  -4.053  -3.134
  272    HD1  PHE  36           HD1      PHE  36  -5.488  -0.960  -5.437
  273    HD2  PHE  36           HD2      PHE  36  -2.819  -2.445  -2.417
  274    HE1  PHE  36           HE1      PHE  36  -5.479   1.267  -4.350
  275    HE2  PHE  36           HE2      PHE  36  -2.815  -0.218  -1.329
  276    HZ   PHE  36           HZ       PHE  36  -4.145   1.636  -2.295
  277    HB2  PHE  36           2HB      PHE  36  -3.249  -3.730  -4.408
  278    HB3  PHE  36           1HB      PHE  36  -4.198  -3.073  -5.736
  279    H    THR  37           H        THR  37  -7.319  -2.797  -3.053
  280    HA   THR  37           HA       THR  37  -8.721  -2.230  -5.629
  281    HB   THR  37           HB       THR  37 -10.839  -3.021  -4.412
  282    HG1  THR  37           HG1      THR  37 -10.533  -4.323  -2.659
  283   HG21  THR  37          3HG2      THR  37  -9.455  -4.280  -6.186
  284   HG22  THR  37          1HG2      THR  37 -10.547  -5.237  -5.185
  285   HG23  THR  37          2HG2      THR  37  -8.819  -5.220  -4.836
  286    H    VAL  38           H        VAL  38 -10.146  -0.445  -5.554
  287    HA   VAL  38           HA       VAL  38 -10.237   1.162  -3.032
  288    HB   VAL  38           HB       VAL  38  -9.495   2.112  -5.824
  289   HG11  VAL  38          1HG1      VAL  38  -9.140   4.305  -4.733
  290   HG12  VAL  38          2HG1      VAL  38  -9.727   3.637  -3.209
  291   HG13  VAL  38          3HG1      VAL  38 -10.819   3.784  -4.588
  292   HG21  VAL  38          3HG2      VAL  38  -7.339   2.741  -4.610
  293   HG22  VAL  38          1HG2      VAL  38  -7.600   1.013  -4.845
  294   HG23  VAL  38          2HG2      VAL  38  -7.906   1.744  -3.270
  295    H    LYS  39           H        LYS  39 -12.344   1.870  -2.658
  296    HA   LYS  39           HA       LYS  39 -14.148   2.376  -4.958
  297    HB2  LYS  39           2HB      LYS  39 -14.202  -0.081  -4.371
  298    HB3  LYS  39           1HB      LYS  39 -14.812   0.372  -2.780
  299    HG2  LYS  39           2HG      LYS  39 -16.865   0.212  -3.735
  300    HG3  LYS  39           1HG      LYS  39 -16.488   1.781  -4.446
  301    HD2  LYS  39           2HD      LYS  39 -15.984   0.880  -6.520
  302    HD3  LYS  39           1HD      LYS  39 -15.501  -0.676  -5.844
  303    HE2  LYS  39           2HE      LYS  39 -18.374   0.172  -5.574
  304    HE3  LYS  39           1HE      LYS  39 -17.809  -0.470  -7.128
  305    HZ1  LYS  39           3HZ      LYS  39 -17.378  -1.777  -4.490
  306    HZ2  LYS  39           1HZ      LYS  39 -16.912  -2.393  -6.000
  307    HZ3  LYS  39           2HZ      LYS  39 -18.560  -2.241  -5.619
  308    HA   PRO  40           HA       PRO  40 -15.264   5.398  -1.858
  309    HB2  PRO  40           2HB      PRO  40 -16.901   6.883  -3.457
  310    HB3  PRO  40           1HB      PRO  40 -15.133   6.981  -3.533
  311    HG2  PRO  40           2HG      PRO  40 -17.030   5.583  -5.336
  312    HG3  PRO  40           1HG      PRO  40 -15.513   6.408  -5.716
  313    HD2  PRO  40           2HD      PRO  40 -15.812   3.673  -5.515
  314    HD3  PRO  40           1HD      PRO  40 -14.270   4.539  -5.347
  315    H    TYR  41           H        TYR  41 -17.156   5.810  -0.602
  316    HA   TYR  41           HA       TYR  41 -19.560   4.155  -1.294
  317    HD1  TYR  41           HD1      TYR  41 -18.875   2.131  -1.119
  318    HD2  TYR  41           HD2      TYR  41 -16.652   3.597   2.251
  319    HE1  TYR  41           HE1      TYR  41 -17.261   0.264  -1.370
  320    HE2  TYR  41           HE2      TYR  41 -15.044   1.731   1.998
  321    HH   TYR  41           HH       TYR  41 -14.486   0.111  -0.493
  322    HB2  TYR  41           2HB      TYR  41 -18.462   4.847   1.448
  323    HB3  TYR  41           1HB      TYR  41 -19.789   3.749   1.097
  324    H    LEU  42           H        LEU  42 -21.335   5.104   0.504
  325    HA   LEU  42           HA       LEU  42 -21.390   8.070   0.085
  326    HG   LEU  42           HG       LEU  42 -23.245   9.098  -0.565
  327    HB2  LEU  42           2HB      LEU  42 -22.836   6.237  -1.326
  328    HB3  LEU  42           1HB      LEU  42 -23.944   6.576   0.002
  329   HD11  LEU  42          1HD1      LEU  42 -22.917   7.571  -3.166
  330   HD12  LEU  42          2HD1      LEU  42 -21.685   8.530  -2.348
  331   HD13  LEU  42          3HD1      LEU  42 -23.093   9.322  -3.056
  332   HD21  LEU  42          3HD2      LEU  42 -25.539   8.131  -0.571
  333   HD22  LEU  42          1HD2      LEU  42 -25.250   7.500  -2.192
  334   HD23  LEU  42          2HD2      LEU  42 -25.287   9.241  -1.917
  335    H    LYS  43           H        LYS  43 -22.259   9.260   1.772
  336    HA   LYS  43           HA       LYS  43 -23.090   7.764   4.236
  337    HB2  LYS  43           2HB      LYS  43 -20.888   9.249   3.953
  338    HB3  LYS  43           1HB      LYS  43 -22.020  10.566   4.256
  339    HG2  LYS  43           2HG      LYS  43 -21.855  10.124   6.458
  340    HG3  LYS  43           1HG      LYS  43 -22.643   8.575   6.159
  341    HD2  LYS  43           2HD      LYS  43 -19.678   8.935   5.724
  342    HD3  LYS  43           1HD      LYS  43 -20.330   8.525   7.310
  343    HE2  LYS  43           2HE      LYS  43 -21.439   6.526   6.330
  344    HE3  LYS  43           1HE      LYS  43 -20.724   6.924   4.754
  345    HZ1  LYS  43           3HZ      LYS  43 -19.184   6.516   7.267
  346    HZ2  LYS  43           1HZ      LYS  43 -18.534   6.830   5.732
  347    HZ3  LYS  43           2HZ      LYS  43 -19.338   5.363   6.028
  348    H    ARG  44           H        ARG  44 -24.430   9.408   5.687
  349    HA   ARG  44           HA       ARG  44 -26.964   9.850   4.761
  350    HE   ARG  44           HE       ARG  44 -28.355   8.286   8.875
  351    HB2  ARG  44           2HB      ARG  44 -25.233  11.419   6.671
  352    HB3  ARG  44           1HB      ARG  44 -26.936  11.820   6.446
  353    HG2  ARG  44           2HG      ARG  44 -26.655   8.967   6.777
  354    HG3  ARG  44           1HG      ARG  44 -25.855   9.800   8.110
  355    HD2  ARG  44           2HD      ARG  44 -27.975  11.209   8.348
  356    HD3  ARG  44           1HD      ARG  44 -28.748  10.058   7.240
  357   HH11  ARG  44          1HH2      ARG  44 -29.758  10.248  10.590
  358   HH12  ARG  44          2HH2      ARG  44 -28.696  10.403  11.949
  359   HH21  ARG  44          2HH1      ARG  44 -25.969   9.000  10.311
  360   HH22  ARG  44          1HH1      ARG  44 -26.542   9.694  11.791
  361    H    PHE  45           H        PHE  45 -24.269  12.156   4.359
  362    HA   PHE  45           HA       PHE  45 -25.612  13.322   2.006
  363    HD1  PHE  45           HD1      PHE  45 -25.465  16.312   1.438
  364    HD2  PHE  45           HD2      PHE  45 -28.248  14.451   4.131
  365    HE1  PHE  45           HE1      PHE  45 -27.354  17.290   0.163
  366    HE2  PHE  45           HE2      PHE  45 -30.136  15.430   2.856
  367    HZ   PHE  45           HZ       PHE  45 -29.689  16.849   0.872
  368    HB2  PHE  45           2HB      PHE  45 -25.937  14.386   4.608
  369    HB3  PHE  45           1HB      PHE  45 -24.818  15.470   3.782
  370    H    GLN  46           H        GLN  46 -23.087  11.871   2.391
  371    HA   GLN  46           HA       GLN  46 -21.270  13.830   1.145
  372    HB2  GLN  46           2HB      GLN  46 -21.188  13.082   3.986
  373    HB3  GLN  46           1HB      GLN  46 -19.644  12.851   3.165
  374    HG2  GLN  46           2HG      GLN  46 -20.053  15.229   2.196
  375    HG3  GLN  46           1HG      GLN  46 -21.237  15.389   3.493
  376   HE21  GLN  46          1HE2      GLN  46 -17.766  14.644   2.922
  377   HE22  GLN  46          2HE2      GLN  46 -17.246  15.183   4.445
  378    H    VAL  47           H        VAL  47 -19.727  12.789  -0.136
  379    HA   VAL  47           HA       VAL  47 -19.889   9.816  -0.278
  380    HB   VAL  47           HB       VAL  47 -18.678  11.927  -2.100
  381   HG11  VAL  47          1HG1      VAL  47 -17.539   9.849  -2.492
  382   HG12  VAL  47          2HG1      VAL  47 -18.747  10.006  -3.768
  383   HG13  VAL  47          3HG1      VAL  47 -19.045   8.935  -2.400
  384   HG21  VAL  47          3HG2      VAL  47 -20.967  12.262  -2.331
  385   HG22  VAL  47          1HG2      VAL  47 -21.358  10.595  -1.909
  386   HG23  VAL  47          2HG2      VAL  47 -20.724  10.975  -3.511
  387    H    TYR  48           H        TYR  48 -18.255   8.626   0.639
  388    HA   TYR  48           HA       TYR  48 -15.688  10.018   1.310
  389    HD1  TYR  48           HD2      TYR  48 -14.768   9.949   4.077
  390    HD2  TYR  48           HD1      TYR  48 -18.947   9.353   3.273
  391    HE1  TYR  48           HE2      TYR  48 -15.338  11.715   5.722
  392    HE2  TYR  48           HE1      TYR  48 -19.516  11.119   4.917
  393    HH   TYR  48           HH       TYR  48 -17.951  13.325   5.863
  394    HB2  TYR  48           2HB      TYR  48 -17.295   7.758   2.494
  395    HB3  TYR  48           1HB      TYR  48 -15.588   7.938   2.893
  396    H    TYR  49           H        TYR  49 -13.694   8.758   1.046
  397    HA   TYR  49           HA       TYR  49 -13.893   6.712  -1.133
  398    HD1  TYR  49           HD2      TYR  49 -13.953   9.506  -2.791
  399    HD2  TYR  49           HD1      TYR  49 -10.980   6.407  -2.781
  400    HE1  TYR  49           HE2      TYR  49 -14.226   9.237  -5.241
  401    HE2  TYR  49           HE1      TYR  49 -11.247   6.137  -5.230
  402    HH   TYR  49           HH       TYR  49 -13.663   6.954  -6.914
  403    HB2  TYR  49           2HB      TYR  49 -12.467   9.163  -0.863
  404    HB3  TYR  49           1HB      TYR  49 -11.278   7.862  -0.855
  405    H    LYS  50           H        LYS  50 -13.061   4.698  -0.679
  406    HA   LYS  50           HA       LYS  50 -11.173   4.393   1.613
  407    HB2  LYS  50           2HB      LYS  50 -13.422   4.081   2.486
  408    HB3  LYS  50           1HB      LYS  50 -13.812   2.976   1.170
  409    HG2  LYS  50           2HG      LYS  50 -12.482   1.260   2.035
  410    HG3  LYS  50           1HG      LYS  50 -11.475   2.376   2.961
  411    HD2  LYS  50           2HD      LYS  50 -13.627   2.894   4.303
  412    HD3  LYS  50           1HD      LYS  50 -14.268   1.417   3.582
  413    HE2  LYS  50           2HE      LYS  50 -12.540   0.071   4.571
  414    HE3  LYS  50           1HE      LYS  50 -11.623   1.508   5.066
  415    HZ1  LYS  50           3HZ      LYS  50 -12.927   0.674   6.917
  416    HZ2  LYS  50           1HZ      LYS  50 -14.350   0.766   5.998
  417    HZ3  LYS  50           2HZ      LYS  50 -13.524   2.187   6.429
  418    H    GLY  51           H        GLY  51  -9.801   2.565   1.402
  419    HA2  GLY  51           2HA      GLY  51 -10.190   0.816  -0.963
  420    HA3  GLY  51           1HA      GLY  51  -8.682   1.718  -0.846
  421    H    ARG  52           H        ARG  52  -9.013  -1.174  -0.826
  422    HA   ARG  52           HA       ARG  52  -7.616  -1.752   1.741
  423    HE   ARG  52           HE       ARG  52 -11.493  -4.513   2.305
  424    HB2  ARG  52           2HB      ARG  52 -10.097  -2.168   1.929
  425    HB3  ARG  52           1HB      ARG  52  -9.943  -3.359   0.638
  426    HG2  ARG  52           2HG      ARG  52  -9.026  -4.910   2.019
  427    HG3  ARG  52           1HG      ARG  52  -7.993  -3.721   2.814
  428    HD2  ARG  52           2HD      ARG  52  -9.503  -4.415   4.524
  429    HD3  ARG  52           1HD      ARG  52 -10.189  -2.885   3.944
  430   HH11  ARG  52          2HH1      ARG  52 -10.519  -6.888   3.955
  431   HH12  ARG  52          1HH1      ARG  52 -11.878  -7.153   4.996
  432   HH21  ARG  52          1HH2      ARG  52 -13.304  -4.046   4.357
  433   HH22  ARG  52          2HH2      ARG  52 -13.458  -5.535   5.228
  434    H    MET  53           H        MET  53  -6.175  -3.579   1.558
  435    HA   MET  53           HA       MET  53  -6.035  -4.935  -1.090
  436    HB2  MET  53           2HB      MET  53  -3.748  -4.285  -1.413
  437    HB3  MET  53           1HB      MET  53  -4.637  -2.820  -1.018
  438    HG2  MET  53           2HG      MET  53  -3.808  -2.802   1.223
  439    HG3  MET  53           1HG      MET  53  -3.193  -4.448   1.081
  440    HE1  MET  53           3HE      MET  53  -0.257  -4.710  -0.335
  441    HE2  MET  53           1HE      MET  53  -0.996  -4.228  -1.867
  442    HE3  MET  53           2HE      MET  53  -1.914  -5.180  -0.704
  443    H    TRP  54           H        TRP  54  -4.870  -6.927  -1.032
  444    HA   TRP  54           HA       TRP  54  -3.790  -7.915   1.534
  445    HD1  TRP  54           HD1      TRP  54  -5.864 -11.009  -0.893
  446    HE1  TRP  54           HE1      TRP  54  -7.692 -10.608  -2.665
  447    HE3  TRP  54           HE3      TRP  54  -7.655  -6.493   0.689
  448    HZ2  TRP  54           HZ2      TRP  54  -9.655  -8.635  -3.323
  449    HZ3  TRP  54           HZ3      TRP  54  -9.501  -5.378  -0.529
  450    HH2  TRP  54           HH2      TRP  54 -10.504  -6.443  -2.531
  451    HB2  TRP  54           2HB      TRP  54  -5.381  -9.881   1.454
  452    HB3  TRP  54           1HB      TRP  54  -6.154  -8.340   1.810
  453    H    CYS  55           H        CYS  55  -2.356  -9.688   1.233
  454    HA   CYS  55           HA       CYS  55  -1.843 -10.417  -1.630
  455    HB2  CYS  55           2HB      CYS  55  -0.059 -10.027   0.775
  456    HB3  CYS  55           1HB      CYS  55   0.515 -10.796  -0.701
  457    HA   PRO  56           HA       PRO  56  -2.906 -14.385   0.379
  458    HB2  PRO  56           2HB      PRO  56  -4.334 -15.392  -1.727
  459    HB3  PRO  56           1HB      PRO  56  -5.046 -14.325  -0.501
  460    HG2  PRO  56           2HG      PRO  56  -4.221 -13.726  -3.275
  461    HG3  PRO  56           1HG      PRO  56  -5.509 -13.012  -2.297
  462    HD2  PRO  56           2HD      PRO  56  -3.022 -11.864  -2.806
  463    HD3  PRO  56           1HD      PRO  56  -4.151 -11.370  -1.538
  464    H    GLY  57           H        GLY  57  -0.532 -14.720   0.077
  465    HA2  GLY  57           2HA      GLY  57   0.276 -16.979  -1.227
  466    HA3  GLY  57           1HA      GLY  57   0.415 -15.761  -2.494
  467    H    TRP  58           H        TRP  58   1.305 -13.557  -1.082
  468    HA   TRP  58           HA       TRP  58   4.116 -14.132  -0.722
  469    HD1  TRP  58           HD1      TRP  58   5.856 -13.209   0.171
  470    HE1  TRP  58           HE1      TRP  58   7.525 -11.425   0.991
  471    HE3  TRP  58           HE3      TRP  58   2.928  -9.033  -0.157
  472    HZ2  TRP  58           HZ2      TRP  58   7.612  -8.605   1.447
  473    HZ3  TRP  58           HZ3      TRP  58   3.831  -6.815   0.476
  474    HH2  TRP  58           HH2      TRP  58   6.166  -6.596   1.278
  475    HB2  TRP  58           2HB      TRP  58   3.189 -12.005  -1.581
  476    HB3  TRP  58           1HB      TRP  58   2.412 -11.711  -0.035
  477    H    THR  59           H        THR  59   1.594 -13.017   1.561
  478    HA   THR  59           HA       THR  59   2.734 -14.636   3.730
  479    HB   THR  59           HB       THR  59   4.201 -12.661   3.649
  480    HG1  THR  59           HG1      THR  59   3.903 -13.255   5.704
  481   HG21  THR  59          3HG2      THR  59   3.414 -10.639   3.070
  482   HG22  THR  59          1HG2      THR  59   2.344 -10.625   4.471
  483   HG23  THR  59          2HG2      THR  59   1.795 -11.329   2.949
  484    H    ALA  60           H        ALA  60   1.479 -13.231   5.847
  485    HA   ALA  60           HA       ALA  60  -1.417 -13.427   5.090
  486    HB1  ALA  60           3HB      ALA  60  -1.704 -14.258   7.421
  487    HB2  ALA  60           1HB      ALA  60   0.035 -14.097   7.673
  488    HB3  ALA  60           2HB      ALA  60  -0.583 -15.264   6.505
  489    H    ILE  61           H        ILE  61  -0.117 -10.959   4.810
  490    HA   ILE  61           HA       ILE  61  -1.126  -9.397   7.166
  491    HB   ILE  61           HB       ILE  61   1.284  -9.081   5.356
  492   HG12  ILE  61          2HG1      ILE  61   1.079  -9.019   8.379
  493   HG13  ILE  61          1HG1      ILE  61   1.340 -10.509   7.472
  494   HG21  ILE  61          1HG2      ILE  61   1.653  -6.946   6.770
  495   HG22  ILE  61          2HG2      ILE  61  -0.071  -7.042   7.128
  496   HG23  ILE  61          3HG2      ILE  61   0.475  -6.856   5.462
  497   HD11  ILE  61          3HD1      ILE  61   3.541  -9.941   7.805
  498   HD12  ILE  61          1HD1      ILE  61   3.186  -8.217   7.925
  499   HD13  ILE  61          2HD1      ILE  61   3.256  -8.994   6.344
  500    H    ARG  62           H        ARG  62  -2.391  -7.562   6.659
  501    HA   ARG  62           HA       ARG  62  -2.905  -7.038   3.763
  502    HE   ARG  62           HE       ARG  62  -5.007  -4.997   7.040
  503    HB2  ARG  62           2HB      ARG  62  -5.320  -6.726   4.475
  504    HB3  ARG  62           1HB      ARG  62  -4.728  -8.377   4.558
  505    HG2  ARG  62           2HG      ARG  62  -5.100  -8.470   6.782
  506    HG3  ARG  62           1HG      ARG  62  -4.203  -6.976   7.047
  507    HD2  ARG  62           2HD      ARG  62  -6.854  -6.592   5.787
  508    HD3  ARG  62           1HD      ARG  62  -6.901  -7.206   7.451
  509   HH11  ARG  62          2HH1      ARG  62  -6.417  -5.644   9.629
  510   HH12  ARG  62          1HH1      ARG  62  -7.574  -4.360   9.732
  511   HH21  ARG  62          1HH2      ARG  62  -7.283  -3.477   6.387
  512   HH22  ARG  62          2HH2      ARG  62  -8.064  -3.126   7.892
  513    H    GLY  63           H        GLY  63  -4.120  -4.904   3.498
  514    HA2  GLY  63           2HA      GLY  63  -3.496  -2.926   5.621
  515    HA3  GLY  63           1HA      GLY  63  -2.780  -2.664   4.032
  516    H    GLU  64           H        GLU  64  -4.650  -0.899   5.326
  517    HA   GLU  64           HA       GLU  64  -6.599  -0.613   3.158
  518    HB2  GLU  64           2HB      GLU  64  -7.770  -2.255   4.421
  519    HB3  GLU  64           1HB      GLU  64  -7.359  -1.491   5.952
  520    HG2  GLU  64           2HG      GLU  64  -8.697   0.548   4.974
  521    HG3  GLU  64           1HG      GLU  64  -9.396  -0.660   3.899
  522    H    ALA  65           H        ALA  65  -7.658   1.444   3.251
  523    HA   ALA  65           HA       ALA  65  -7.242   3.291   5.474
  524    HB1  ALA  65           3HB      ALA  65  -5.631   4.737   4.328
  525    HB2  ALA  65           1HB      ALA  65  -5.641   3.670   2.925
  526    HB3  ALA  65           2HB      ALA  65  -4.973   3.107   4.457
  527    H    SER  66           H        SER  66  -8.299   5.346   5.103
  528    HA   SER  66           HA       SER  66  -9.845   5.589   2.552
  529    HG   SER  66           HG       SER  66 -10.801   3.924   5.380
  530    HB2  SER  66           2HB      SER  66 -10.992   6.034   5.316
  531    HB3  SER  66           1HB      SER  66 -11.872   5.948   3.796
  532    H    THR  67           H        THR  67 -10.448   7.785   2.045
  533    HA   THR  67           HA       THR  67  -9.911  10.040   3.763
  534    HB   THR  67           HB       THR  67  -7.591   9.170   3.311
  535    HG1  THR  67           HG1      THR  67  -8.025  11.414   3.672
  536   HG21  THR  67          3HG2      THR  67  -8.155   8.391   0.971
  537   HG22  THR  67          1HG2      THR  67  -6.647   9.292   1.109
  538   HG23  THR  67          2HG2      THR  67  -8.088  10.080   0.470
  539    H    ARG  68           H        ARG  68 -10.279  12.095   2.630
  540    HA   ARG  68           HA       ARG  68 -12.383  12.083   0.732
  541    HE   ARG  68           HE       ARG  68 -13.935  16.435  -0.378
  542    HB2  ARG  68           2HB      ARG  68 -10.855  13.918   2.248
  543    HB3  ARG  68           1HB      ARG  68 -10.750  14.470   0.577
  544    HG2  ARG  68           2HG      ARG  68 -13.330  14.059   0.536
  545    HG3  ARG  68           1HG      ARG  68 -13.196  14.111   2.294
  546    HD2  ARG  68           2HD      ARG  68 -13.445  16.375   1.986
  547    HD3  ARG  68           1HD      ARG  68 -11.716  16.316   1.589
  548   HH11  ARG  68          1HH2      ARG  68 -11.661  18.367  -0.422
  549   HH12  ARG  68          2HH2      ARG  68 -10.658  17.735  -1.683
  550   HH21  ARG  68          2HH1      ARG  68 -12.190  14.612  -1.691
  551   HH22  ARG  68          1HH1      ARG  68 -10.958  15.597  -2.406
  552    H    SER  69           H        SER  69  -8.863  12.308   0.206
  553    HA   SER  69           HA       SER  69  -8.944  12.983  -2.580
  554    HG   SER  69           HG       SER  69  -6.096  13.418  -0.462
  555    HB2  SER  69           2HB      SER  69  -6.765  11.276  -1.456
  556    HB3  SER  69           1HB      SER  69  -6.647  12.727  -2.441
  557    H    GLN  70           H        GLN  70  -8.976  11.685  -4.417
  558    HA   GLN  70           HA       GLN  70 -10.122   9.009  -4.189
  559    HB2  GLN  70           2HB      GLN  70  -9.201  10.808  -6.445
  560    HB3  GLN  70           1HB      GLN  70  -9.848   9.195  -6.743
  561    HG2  GLN  70           2HG      GLN  70 -11.923  10.058  -6.639
  562    HG3  GLN  70           1HG      GLN  70 -11.641  10.431  -4.938
  563   HE21  GLN  70          1HE2      GLN  70 -11.115  12.640  -4.372
  564   HE22  GLN  70          2HE2      GLN  70 -11.198  13.905  -5.500
  565    H    SER  71           H        SER  71  -7.037  10.326  -5.462
  566    HA   SER  71           HA       SER  71  -5.883   7.647  -5.786
  567    HG   SER  71           HG       SER  71  -5.134   9.594  -8.297
  568    HB2  SER  71           2HB      SER  71  -4.554  10.371  -5.901
  569    HB3  SER  71           1HB      SER  71  -4.002   8.886  -6.669
  570    H    GLY  72           H        GLY  72  -5.816  10.264  -3.422
  571    HA2  GLY  72           2HA      GLY  72  -3.509   9.512  -1.940
  572    HA3  GLY  72           1HA      GLY  72  -4.886  10.393  -1.278
  573    H    VAL  73           H        VAL  73  -6.884   8.364  -1.752
  574    HA   VAL  73           HA       VAL  73  -6.630   6.783   0.611
  575    HB   VAL  73           HB       VAL  73  -8.663   7.480  -0.941
  576   HG11  VAL  73          1HG1      VAL  73  -7.838   6.153  -2.889
  577   HG12  VAL  73          2HG1      VAL  73  -9.453   5.674  -2.371
  578   HG13  VAL  73          3HG1      VAL  73  -8.060   4.683  -1.942
  579   HG21  VAL  73          3HG2      VAL  73  -8.837   4.712   0.217
  580   HG22  VAL  73          1HG2      VAL  73 -10.006   6.028   0.306
  581   HG23  VAL  73          2HG2      VAL  73  -8.536   6.088   1.278
  582    H    ALA  74           H        ALA  74  -5.841   6.057  -2.779
  583    HA   ALA  74           HA       ALA  74  -5.276   3.250  -2.384
  584    HB1  ALA  74           3HB      ALA  74  -4.342   3.434  -4.627
  585    HB2  ALA  74           1HB      ALA  74  -4.196   5.184  -4.461
  586    HB3  ALA  74           2HB      ALA  74  -5.791   4.436  -4.550
  587    H    GLY  75           H        GLY  75  -3.297   6.207  -2.288
  588    HA2  GLY  75           2HA      GLY  75  -0.773   4.870  -1.960
  589    HA3  GLY  75           1HA      GLY  75  -1.091   6.559  -1.564
  590    H    LYS  76           H        LYS  76  -3.305   5.905   0.277
  591    HA   LYS  76           HA       LYS  76  -1.762   5.517   2.697
  592    HB2  LYS  76           2HB      LYS  76  -4.700   5.728   2.001
  593    HB3  LYS  76           1HB      LYS  76  -4.147   5.525   3.662
  594    HG2  LYS  76           2HG      LYS  76  -2.773   7.566   3.459
  595    HG3  LYS  76           1HG      LYS  76  -3.332   7.775   1.799
  596    HD2  LYS  76           2HD      LYS  76  -4.845   9.139   2.906
  597    HD3  LYS  76           1HD      LYS  76  -5.724   7.610   2.942
  598    HE2  LYS  76           2HE      LYS  76  -4.917   7.147   5.208
  599    HE3  LYS  76           1HE      LYS  76  -3.919   8.614   5.176
  600    HZ1  LYS  76           3HZ      LYS  76  -6.879   8.418   5.071
  601    HZ2  LYS  76           1HZ      LYS  76  -6.049   9.831   4.622
  602    HZ3  LYS  76           2HZ      LYS  76  -5.922   9.241   6.212
  603    H    THR  77           H        THR  77  -4.032   3.479   0.825
  604    HA   THR  77           HA       THR  77  -4.071   1.277   2.677
  605    HB   THR  77           HB       THR  77  -4.528   1.477  -0.321
  606    HG1  THR  77           HG1      THR  77  -6.197   2.502   0.433
  607   HG21  THR  77          3HG2      THR  77  -5.699  -0.645  -0.159
  608   HG22  THR  77          1HG2      THR  77  -5.405  -0.714   1.578
  609   HG23  THR  77          2HG2      THR  77  -4.057  -0.856   0.450
  610    H    ALA  78           H        ALA  78  -2.004   2.086  -0.098
  611    HA   ALA  78           HA       ALA  78  -0.493  -0.392  -0.028
  612    HB1  ALA  78           3HB      ALA  78  -0.845   1.118  -2.008
  613    HB2  ALA  78           1HB      ALA  78   0.854   0.753  -1.708
  614    HB3  ALA  78           2HB      ALA  78   0.188   2.312  -1.223
  615    H    LYS  79           H        LYS  79  -0.031   2.885   1.297
  616    HA   LYS  79           HA       LYS  79   2.659   2.419   2.270
  617    HB2  LYS  79           2HB      LYS  79   1.403   4.616   1.813
  618    HB3  LYS  79           1HB      LYS  79   0.607   4.357   3.364
  619    HG2  LYS  79           2HG      LYS  79   2.388   5.328   4.351
  620    HG3  LYS  79           1HG      LYS  79   3.339   3.924   3.867
  621    HD2  LYS  79           2HD      LYS  79   4.564   5.616   2.859
  622    HD3  LYS  79           1HD      LYS  79   3.454   5.209   1.550
  623    HE2  LYS  79           2HE      LYS  79   2.362   7.191   3.446
  624    HE3  LYS  79           1HE      LYS  79   3.788   7.752   2.553
  625    HZ1  LYS  79           3HZ      LYS  79   1.478   6.383   1.276
  626    HZ2  LYS  79           1HZ      LYS  79   2.782   7.139   0.496
  627    HZ3  LYS  79           2HZ      LYS  79   1.644   8.071   1.345
  628    H    ASP  80           H        ASP  80  -0.595   2.142   3.694
  629    HA   ASP  80           HA       ASP  80   0.253   1.542   6.378
  630    HB2  ASP  80           2HB      ASP  80  -2.229   1.085   4.719
  631    HB3  ASP  80           1HB      ASP  80  -2.134   0.495   6.375
  632    H    PHE  81           H        PHE  81  -0.326  -0.488   3.508
  633    HA   PHE  81           HA       PHE  81  -0.057  -3.036   4.856
  634    HD1  PHE  81           HD2      PHE  81   2.259  -4.198   2.326
  635    HD2  PHE  81           HD1      PHE  81  -1.993  -4.727   2.603
  636    HE1  PHE  81           HE2      PHE  81   2.539  -6.634   1.965
  637    HE2  PHE  81           HE1      PHE  81  -1.712  -7.162   2.237
  638    HZ   PHE  81           HZ       PHE  81   0.553  -8.117   1.920
  639    HB2  PHE  81           2HB      PHE  81  -1.107  -2.560   2.602
  640    HB3  PHE  81           1HB      PHE  81   0.511  -2.274   1.968
  641    H    VAL  82           H        VAL  82   2.205  -0.864   3.166
  642    HA   VAL  82           HA       VAL  82   4.513  -2.567   3.319
  643    HB   VAL  82           HB       VAL  82   4.088   0.427   3.086
  644   HG11  VAL  82          1HG1      VAL  82   6.515   0.294   2.159
  645   HG12  VAL  82          2HG1      VAL  82   6.622  -1.209   3.076
  646   HG13  VAL  82          3HG1      VAL  82   6.294   0.310   3.909
  647   HG21  VAL  82          3HG2      VAL  82   4.473   0.070   0.742
  648   HG22  VAL  82          1HG2      VAL  82   3.322  -1.167   1.249
  649   HG23  VAL  82          2HG2      VAL  82   5.019  -1.583   1.021
  650    H    ARG  83           H        ARG  83   3.192  -0.080   5.511
  651    HA   ARG  83           HA       ARG  83   5.384  -0.050   7.370
  652    HE   ARG  83           HE       ARG  83   4.165   1.549  11.468
  653    HB2  ARG  83           2HB      ARG  83   3.279   1.492   7.018
  654    HB3  ARG  83           1HB      ARG  83   2.502   0.373   8.140
  655    HG2  ARG  83           2HG      ARG  83   4.560   0.755   9.652
  656    HG3  ARG  83           1HG      ARG  83   4.897   2.147   8.623
  657    HD2  ARG  83           2HD      ARG  83   3.182   3.364   9.512
  658    HD3  ARG  83           1HD      ARG  83   2.087   1.967   9.540
  659   HH11  ARG  83          1HH2      ARG  83   1.182   1.264  11.944
  660   HH12  ARG  83          2HH2      ARG  83   0.900   2.503  13.121
  661   HH21  ARG  83          2HH1      ARG  83   3.910   4.131  12.512
  662   HH22  ARG  83          1HH1      ARG  83   2.450   4.132  13.444
  663    H    LYS  84           H        LYS  84   2.400  -2.013   7.199
  664    HA   LYS  84           HA       LYS  84   2.811  -3.404   9.696
  665    HB2  LYS  84           2HB      LYS  84   0.753  -3.140   8.033
  666    HB3  LYS  84           1HB      LYS  84   1.410  -4.618   7.329
  667    HG2  LYS  84           2HG      LYS  84  -0.144  -5.361   8.969
  668    HG3  LYS  84           1HG      LYS  84   1.440  -5.553   9.723
  669    HD2  LYS  84           2HD      LYS  84   1.176  -3.542  11.001
  670    HD3  LYS  84           1HD      LYS  84  -0.255  -3.071  10.084
  671    HE2  LYS  84           2HE      LYS  84  -0.708  -5.699  11.160
  672    HE3  LYS  84           1HE      LYS  84  -0.170  -4.631  12.471
  673    HZ1  LYS  84           3HZ      LYS  84  -2.314  -4.024  10.498
  674    HZ2  LYS  84           1HZ      LYS  84  -1.769  -2.967  11.709
  675    HZ3  LYS  84           2HZ      LYS  84  -2.553  -4.413  12.135
  676    H    ALA  85           H        ALA  85   3.744  -4.085   6.325
  677    HA   ALA  85           HA       ALA  85   4.896  -6.690   6.856
  678    HB1  ALA  85           3HB      ALA  85   5.704  -6.461   4.581
  679    HB2  ALA  85           1HB      ALA  85   5.529  -4.709   4.648
  680    HB3  ALA  85           2HB      ALA  85   4.098  -5.737   4.646
  681    H    PHE  86           H        PHE  86   6.145  -3.362   6.819
  682    HA   PHE  86           HA       PHE  86   8.940  -3.987   7.031
  683    HD1  PHE  86           HD1      PHE  86  10.815  -2.518   7.612
  684    HD2  PHE  86           HD2      PHE  86   7.860  -0.585   5.166
  685    HE1  PHE  86           HE1      PHE  86  12.590  -1.793   6.042
  686    HE2  PHE  86           HE2      PHE  86   9.636   0.139   3.594
  687    HZ   PHE  86           HZ       PHE  86  12.001  -0.463   4.033
  688    HB2  PHE  86           2HB      PHE  86   7.176  -1.709   7.079
  689    HB3  PHE  86           1HB      PHE  86   8.311  -1.569   8.417
  690    H    GLN  87           H        GLN  87   6.386  -3.457   9.481
  691    HA   GLN  87           HA       GLN  87   8.118  -3.647  11.783
  692    HB2  GLN  87           2HB      GLN  87   5.235  -3.574  11.121
  693    HB3  GLN  87           1HB      GLN  87   5.616  -4.401  12.631
  694    HG2  GLN  87           2HG      GLN  87   6.030  -2.444  13.667
  695    HG3  GLN  87           1HG      GLN  87   7.176  -1.973  12.413
  696   HE21  GLN  87          1HE2      GLN  87   3.572  -2.317  12.682
  697   HE22  GLN  87          2HE2      GLN  87   3.239  -0.860  11.877
  698    H    LYS  88           H        LYS  88   6.277  -6.061   9.915
  699    HA   LYS  88           HA       LYS  88   6.774  -8.251  11.764
  700    HB2  LYS  88           2HB      LYS  88   5.709  -7.876   8.977
  701    HB3  LYS  88           1HB      LYS  88   6.078  -9.506   9.540
  702    HG2  LYS  88           2HG      LYS  88   4.430  -7.655  11.250
  703    HG3  LYS  88           1HG      LYS  88   3.674  -8.555   9.935
  704    HD2  LYS  88           2HD      LYS  88   4.331 -10.662  10.882
  705    HD3  LYS  88           1HD      LYS  88   5.377  -9.873  12.064
  706    HE2  LYS  88           2HE      LYS  88   3.336  -8.765  13.045
  707    HE3  LYS  88           1HE      LYS  88   2.342  -9.752  11.955
  708    HZ1  LYS  88           3HZ      LYS  88   4.350 -10.814  13.879
  709    HZ2  LYS  88           1HZ      LYS  88   3.371 -11.741  12.848
  710    HZ3  LYS  88           2HZ      LYS  88   2.666 -10.845  14.108
  711    H    GLY  89           H        GLY  89   8.108  -7.447   8.532
  712    HA2  GLY  89           2HA      GLY  89  10.674  -7.566   8.492
  713    HA3  GLY  89           1HA      GLY  89  10.442  -9.179   9.158
  714    H    LEU  90           H        LEU  90   8.841  -7.385   6.499
  715    HA   LEU  90           HA       LEU  90   9.461  -9.716   4.723
  716    HG   LEU  90           HG       LEU  90   7.259 -10.431   6.152
  717    HB2  LEU  90           2HB      LEU  90   6.982  -8.144   5.293
  718    HB3  LEU  90           1HB      LEU  90   7.212  -8.724   3.643
  719   HD11  LEU  90          1HD1      LEU  90   5.167 -11.307   5.416
  720   HD12  LEU  90          2HD1      LEU  90   5.311 -10.527   3.841
  721   HD13  LEU  90          3HD1      LEU  90   5.018  -9.555   5.283
  722   HD21  LEU  90          3HD2      LEU  90   7.899 -10.970   3.265
  723   HD22  LEU  90          1HD2      LEU  90   7.164 -12.246   4.235
  724   HD23  LEU  90          2HD2      LEU  90   8.715 -11.558   4.713
  725    H    ILE  91           H        ILE  91   8.627  -6.218   4.679
  726    HA   ILE  91           HA       ILE  91   9.869  -5.910   2.027
  727    HB   ILE  91           HB       ILE  91   8.578  -3.974   3.987
  728   HG12  ILE  91          2HG1      ILE  91   7.540  -5.170   1.396
  729   HG13  ILE  91          1HG1      ILE  91   7.097  -5.743   3.003
  730   HG21  ILE  91          1HG2      ILE  91   8.575  -2.351   2.198
  731   HG22  ILE  91          2HG2      ILE  91   9.218  -3.530   1.055
  732   HG23  ILE  91          3HG2      ILE  91  10.231  -2.932   2.368
  733   HD11  ILE  91          3HD1      ILE  91   6.358  -3.349   3.503
  734   HD12  ILE  91          1HD1      ILE  91   5.360  -4.242   2.356
  735   HD13  ILE  91          2HD1      ILE  91   6.516  -3.044   1.773
  736    H    SER  92           H        SER  92  12.070  -6.563   2.767
  737    HA   SER  92           HA       SER  92  13.528  -5.138   4.787
  738    HG   SER  92           HG       SER  92  14.258  -8.270   2.770
  739    HB2  SER  92           2HB      SER  92  14.875  -6.253   2.353
  740    HB3  SER  92           1HB      SER  92  15.309  -6.439   4.048
  741    H    GLN  93           H        GLN  93  15.108  -3.439   4.473
  742    HA   GLN  93           HA       GLN  93  14.317  -1.258   2.854
  743    HB2  GLN  93           2HB      GLN  93  17.036  -1.989   3.996
  744    HB3  GLN  93           1HB      GLN  93  16.570  -0.376   3.454
  745    HG2  GLN  93           2HG      GLN  93  14.510  -1.197   5.191
  746    HG3  GLN  93           1HG      GLN  93  16.008  -1.683   5.983
  747   HE21  GLN  93          1HE2      GLN  93  14.352   1.155   4.546
  748   HE22  GLN  93          2HE2      GLN  93  15.240   2.308   5.420
  749    H    GLN  94           H        GLN  94  16.931  -3.642   2.254
  750    HA   GLN  94           HA       GLN  94  17.664  -2.571  -0.329
  751    HB2  GLN  94           2HB      GLN  94  18.908  -4.135   1.360
  752    HB3  GLN  94           1HB      GLN  94  18.027  -5.433   0.553
  753    HG2  GLN  94           2HG      GLN  94  19.902  -5.389  -0.787
  754    HG3  GLN  94           1HG      GLN  94  18.936  -4.178  -1.629
  755   HE21  GLN  94          1HE2      GLN  94  21.642  -4.586   0.658
  756   HE22  GLN  94          2HE2      GLN  94  22.243  -3.007   0.484
  757    H    GLU  95           H        GLU  95  15.508  -5.228   0.690
  758    HA   GLU  95           HA       GLU  95  14.876  -6.217  -1.921
  759    HB2  GLU  95           2HB      GLU  95  13.814  -6.360   0.850
  760    HB3  GLU  95           1HB      GLU  95  12.660  -6.746  -0.425
  761    HG2  GLU  95           2HG      GLU  95  13.739  -8.807   0.185
  762    HG3  GLU  95           1HG      GLU  95  14.392  -8.329  -1.382
  763    H    ALA  96           H        ALA  96  13.365  -3.684   0.090
  764    HA   ALA  96           HA       ALA  96  11.112  -3.125  -1.561
  765    HB1  ALA  96           3HB      ALA  96  11.110  -0.997  -0.331
  766    HB2  ALA  96           1HB      ALA  96  12.796  -1.238   0.125
  767    HB3  ALA  96           2HB      ALA  96  11.549  -2.307   0.766
  768    H    ASN  97           H        ASN  97  14.433  -1.792  -1.631
  769    HA   ASN  97           HA       ASN  97  13.990   0.053  -3.800
  770    HB2  ASN  97           2HB      ASN  97  15.901   0.215  -2.295
  771    HB3  ASN  97           1HB      ASN  97  16.450  -1.396  -2.762
  772   HD21  ASN  97          1HD2      ASN  97  18.236  -1.200  -4.129
  773   HD22  ASN  97          2HD2      ASN  97  18.398  -0.043  -5.359
  774    H    GLN  98           H        GLN  98  15.025  -3.352  -3.669
  775    HA   GLN  98           HA       GLN  98  15.664  -3.710  -6.428
  776    HB2  GLN  98           2HB      GLN  98  15.997  -5.225  -4.350
  777    HB3  GLN  98           1HB      GLN  98  14.344  -5.764  -4.641
  778    HG2  GLN  98           2HG      GLN  98  15.695  -5.824  -7.145
  779    HG3  GLN  98           1HG      GLN  98  16.749  -6.604  -5.965
  780   HE21  GLN  98          1HE2      GLN  98  16.196  -8.731  -5.343
  781   HE22  GLN  98          2HE2      GLN  98  14.730  -9.488  -5.742
  782    H    TRP  99           H        TRP  99  12.564  -4.041  -4.675
  783    HA   TRP  99           HA       TRP  99  11.018  -4.892  -6.960
  784    HD1  TRP  99           HD1      TRP  99   9.011  -6.009  -7.066
  785    HE1  TRP  99           HE1      TRP  99   6.499  -5.629  -7.507
  786    HE3  TRP  99           HE3      TRP  99   8.112  -2.174  -3.813
  787    HZ2  TRP  99           HZ2      TRP  99   4.394  -3.926  -6.601
  788    HZ3  TRP  99           HZ3      TRP  99   5.847  -1.193  -3.628
  789    HH2  TRP  99           HH2      TRP  99   3.988  -2.064  -5.020
  790    HB2  TRP  99           2HB      TRP  99  10.390  -5.138  -4.551
  791    HB3  TRP  99           1HB      TRP  99  10.178  -3.391  -4.457
  792    H    LEU 100           H        LEU 100  11.742  -1.726  -5.517
  793    HA   LEU 100           HA       LEU 100  10.032  -0.099  -7.116
  794    HG   LEU 100           HG       LEU 100  10.085   0.316  -4.776
  795    HB2  LEU 100           2HB      LEU 100  12.606   0.260  -5.606
  796    HB3  LEU 100           1HB      LEU 100  12.058   1.567  -6.652
  797   HD11  LEU 100          1HD1      LEU 100  10.773   1.709  -2.944
  798   HD12  LEU 100          2HD1      LEU 100  11.978   2.529  -3.939
  799   HD13  LEU 100          3HD1      LEU 100  12.210   0.841  -3.483
  800   HD21  LEU 100          3HD2      LEU 100  10.503   2.900  -6.232
  801   HD22  LEU 100          1HD2      LEU 100   9.580   2.932  -4.730
  802   HD23  LEU 100          2HD2      LEU 100   9.039   1.927  -6.075
  803    H    SER 101           H        SER 101  13.267  -1.432  -7.770
  804    HA   SER 101           HA       SER 101  13.847   0.015 -10.168
  805    HG   SER 101           HG       SER 101  16.585  -1.049  -9.115
  806    HB2  SER 101           2HB      SER 101  14.607  -2.759  -9.203
  807    HB3  SER 101           1HB      SER 101  15.370  -1.951 -10.566
  808    H    SER 102           HN       SER 102  12.033  -3.018  -9.622
  809    HA   SER 102           HA       SER 102  11.550  -3.336 -12.520
  810    HG   SER 102           HG       SER 102   9.802  -4.678  -9.626
  811    HB2  SER 102           2HB      SER 102  10.360  -5.413 -11.671
  812    HB3  SER 102           1HB      SER 102  12.061  -5.314 -11.234
  Start of MODEL    4
    1    HA   GLU   1           HA       GLU   1  11.482  13.212  18.036
    2    H1   GLU   1           1H       GLU   1  11.061  15.949  16.937
    3    H2   GLU   1           2H       GLU   1  12.560  15.335  17.448
    4    H3   GLU   1           3H       GLU   1  11.300  15.550  18.568
    5    HB2  GLU   1           2HB      GLU   1   9.298  14.248  18.512
    6    HB3  GLU   1           1HB      GLU   1   9.111  14.669  16.810
    7    HG2  GLU   1           2HG      GLU   1   7.850  12.618  17.351
    8    HG3  GLU   1           1HG      GLU   1   9.146  12.272  16.209
    9    H    ALA   2           H        ALA   2  10.295  14.895  15.081
   10    HA   ALA   2           HA       ALA   2  11.118  12.716  13.338
   11    HB1  ALA   2           3HB      ALA   2  10.380  14.324  11.585
   12    HB2  ALA   2           1HB      ALA   2  10.283  15.590  12.809
   13    HB3  ALA   2           2HB      ALA   2   9.203  14.197  12.892
   14    H    TYR   3           H        TYR   3  13.222  12.358  12.759
   15    HA   TYR   3           HA       TYR   3  14.936  14.592  11.887
   16    HD1  TYR   3           HD2      TYR   3  15.941  16.514  13.637
   17    HD2  TYR   3           HD1      TYR   3  18.161  12.841  13.445
   18    HE1  TYR   3           HE2      TYR   3  18.036  17.797  13.300
   19    HE2  TYR   3           HE1      TYR   3  20.255  14.124  13.108
   20    HH   TYR   3           HH       TYR   3  20.629  16.781  12.052
   21    HB2  TYR   3           2HB      TYR   3  15.002  14.339  14.462
   22    HB3  TYR   3           1HB      TYR   3  15.877  12.837  14.165
   23    H    VAL   4           H        VAL   4  15.115  11.158  12.942
   24    HA   VAL   4           HA       VAL   4  17.123  10.476  10.947
   25    HB   VAL   4           HB       VAL   4  16.825   9.394  13.187
   26   HG11  VAL   4          1HG1      VAL   4  14.384   8.111  11.921
   27   HG12  VAL   4          2HG1      VAL   4  14.319   9.388  13.136
   28   HG13  VAL   4          3HG1      VAL   4  15.006   7.816  13.544
   29   HG21  VAL   4          3HG2      VAL   4  17.984   8.244  11.283
   30   HG22  VAL   4          1HG2      VAL   4  16.457   7.461  10.878
   31   HG23  VAL   4          2HG2      VAL   4  17.238   7.123  12.421
   32    H    GLN   5           H        GLN   5  16.812   9.445   8.954
   33    HA   GLN   5           HA       GLN   5  14.000   8.844   8.109
   34    HB2  GLN   5           2HB      GLN   5  14.993  11.159   7.464
   35    HB3  GLN   5           1HB      GLN   5  16.013  10.249   6.348
   36    HG2  GLN   5           2HG      GLN   5  14.043   9.310   5.250
   37    HG3  GLN   5           1HG      GLN   5  12.984  10.104   6.416
   38   HE21  GLN   5          1HE2      GLN   5  12.164  12.084   5.718
   39   HE22  GLN   5          2HE2      GLN   5  12.893  13.082   4.553
   40    H    GLY   6           H        GLY   6  13.847   7.118   6.596
   41    HA2  GLY   6           2HA      GLY   6  15.745   6.010   4.932
   42    HA3  GLY   6           1HA      GLY   6  16.138   5.306   6.500
   43    H    TRP   7           H        TRP   7  14.232   4.257   7.655
   44    HA   TRP   7           HA       TRP   7  13.057   2.216   6.055
   45    HD1  TRP   7           HD1      TRP   7  15.034   1.370   7.352
   46    HE1  TRP   7           HE1      TRP   7  15.286  -1.113   8.003
   47    HE3  TRP   7           HE3      TRP   7  10.518   0.582   9.608
   48    HZ2  TRP   7           HZ2      TRP   7  13.772  -3.161   9.304
   49    HZ3  TRP   7           HZ3      TRP   7   9.952  -1.642  10.544
   50    HH2  TRP   7           HH2      TRP   7  11.571  -3.512  10.395
   51    HB2  TRP   7           2HB      TRP   7  13.009   3.200   8.814
   52    HB3  TRP   7           1HB      TRP   7  11.463   2.508   8.335
   53    H    GLU   8           H        GLU   8  11.585   5.217   7.354
   54    HA   GLU   8           HA       GLU   8   8.964   4.805   6.291
   55    HB2  GLU   8           2HB      GLU   8   9.755   6.496   8.012
   56    HB3  GLU   8           1HB      GLU   8  10.438   7.430   6.681
   57    HG2  GLU   8           2HG      GLU   8   7.585   6.579   6.440
   58    HG3  GLU   8           1HG      GLU   8   7.954   7.874   7.579
   59    H    ALA   9           H        ALA   9  11.831   6.429   4.926
   60    HA   ALA   9           HA       ALA   9  10.659   7.365   2.508
   61    HB1  ALA   9           3HB      ALA   9  13.455   6.483   3.275
   62    HB2  ALA   9           1HB      ALA   9  12.821   8.128   3.257
   63    HB3  ALA   9           2HB      ALA   9  13.087   7.270   1.740
   64    H    VAL  10           H        VAL  10  12.161   4.227   3.310
   65    HA   VAL  10           HA       VAL  10  12.027   3.117   0.660
   66    HB   VAL  10           HB       VAL  10  12.028   1.842   3.419
   67   HG11  VAL  10          1HG1      VAL  10  12.745   0.638   0.726
   68   HG12  VAL  10          2HG1      VAL  10  11.269   0.290   1.625
   69   HG13  VAL  10          3HG1      VAL  10  12.834  -0.177   2.287
   70   HG21  VAL  10          3HG2      VAL  10  14.318   2.036   3.408
   71   HG22  VAL  10          1HG2      VAL  10  13.963   3.419   2.375
   72   HG23  VAL  10          2HG2      VAL  10  14.427   1.879   1.655
   73    H    ALA  11           H        ALA  11   9.776   3.097   3.422
   74    HA   ALA  11           HA       ALA  11   7.819   1.335   2.283
   75    HB1  ALA  11           3HB      ALA  11   7.703   1.746   4.609
   76    HB2  ALA  11           1HB      ALA  11   6.346   2.677   3.975
   77    HB3  ALA  11           2HB      ALA  11   7.854   3.490   4.395
   78    H    ALA  12           H        ALA  12   8.248   4.872   2.136
   79    HA   ALA  12           HA       ALA  12   5.806   5.450   0.727
   80    HB1  ALA  12           3HB      ALA  12   8.476   6.899   0.728
   81    HB2  ALA  12           1HB      ALA  12   7.253   7.064   1.988
   82    HB3  ALA  12           2HB      ALA  12   6.908   7.610   0.346
   83    H    ALA  13           H        ALA  13   9.113   4.666  -0.346
   84    HA   ALA  13           HA       ALA  13   8.700   5.102  -3.152
   85    HB1  ALA  13           3HB      ALA  13  10.552   3.221  -1.648
   86    HB2  ALA  13           1HB      ALA  13  10.897   4.909  -2.031
   87    HB3  ALA  13           2HB      ALA  13  10.756   3.721  -3.328
   88    H    VAL  14           H        VAL  14   8.306   2.216  -1.077
   89    HA   VAL  14           HA       VAL  14   7.661   0.358  -3.158
   90    HB   VAL  14           HB       VAL  14   6.874   0.539  -0.228
   91   HG11  VAL  14          1HG1      VAL  14   5.342  -0.971  -1.403
   92   HG12  VAL  14          2HG1      VAL  14   6.457  -1.909  -0.411
   93   HG13  VAL  14          3HG1      VAL  14   6.704  -1.801  -2.153
   94   HG21  VAL  14          3HG2      VAL  14   9.366   0.187  -1.346
   95   HG22  VAL  14          1HG2      VAL  14   8.825  -1.478  -1.140
   96   HG23  VAL  14          2HG2      VAL  14   8.895  -0.395   0.250
   97    H    ALA  15           H        ALA  15   5.645   2.540  -1.176
   98    HA   ALA  15           HA       ALA  15   3.091   1.730  -2.181
   99    HB1  ALA  15           3HB      ALA  15   2.852   4.401  -1.552
  100    HB2  ALA  15           1HB      ALA  15   4.310   3.953  -0.668
  101    HB3  ALA  15           2HB      ALA  15   2.799   3.093  -0.371
  102    H    SER  16           H        SER  16   5.449   4.153  -3.312
  103    HA   SER  16           HA       SER  16   3.879   5.319  -5.394
  104    HG   SER  16           HG       SER  16   6.644   6.604  -3.812
  105    HB2  SER  16           2HB      SER  16   6.853   4.896  -4.985
  106    HB3  SER  16           1HB      SER  16   6.199   5.869  -6.300
  107    H    LYS  17           H        LYS  17   6.064   2.486  -5.367
  108    HA   LYS  17           HA       LYS  17   5.831   1.896  -8.180
  109    HB2  LYS  17           2HB      LYS  17   7.519   1.112  -6.345
  110    HB3  LYS  17           1HB      LYS  17   6.323  -0.137  -6.003
  111    HG2  LYS  17           2HG      LYS  17   7.631  -1.213  -7.603
  112    HG3  LYS  17           1HG      LYS  17   6.387  -0.488  -8.622
  113    HD2  LYS  17           2HD      LYS  17   7.930   1.520  -8.876
  114    HD3  LYS  17           1HD      LYS  17   9.186   0.546  -8.113
  115    HE2  LYS  17           2HE      LYS  17   7.727  -0.746 -10.370
  116    HE3  LYS  17           1HE      LYS  17   8.827   0.580 -10.794
  117    HZ1  LYS  17           3HZ      LYS  17   9.641  -1.535  -8.887
  118    HZ2  LYS  17           1HZ      LYS  17  10.625  -0.477  -9.779
  119    HZ3  LYS  17           2HZ      LYS  17   9.823  -1.755 -10.562
  120    H    ILE  18           H        ILE  18   3.880   1.069  -5.338
  121    HA   ILE  18           HA       ILE  18   2.297  -1.022  -6.479
  122    HB   ILE  18           HB       ILE  18   2.048   0.977  -4.244
  123   HG12  ILE  18          2HG1      ILE  18   3.421  -1.087  -4.003
  124   HG13  ILE  18          1HG1      ILE  18   2.072  -1.047  -2.874
  125   HG21  ILE  18          1HG2      ILE  18  -0.148  -0.811  -5.296
  126   HG22  ILE  18          2HG2      ILE  18  -0.233   0.904  -4.894
  127   HG23  ILE  18          3HG2      ILE  18  -0.098  -0.297  -3.609
  128   HD11  ILE  18          3HD1      ILE  18   2.385  -2.706  -5.369
  129   HD12  ILE  18          1HD1      ILE  18   0.782  -2.364  -4.718
  130   HD13  ILE  18          2HD1      ILE  18   1.964  -3.231  -3.740
  131    H    VAL  19           H        VAL  19   1.744   2.517  -6.276
  132    HA   VAL  19           HA       VAL  19  -0.760   2.543  -7.673
  133    HB   VAL  19           HB       VAL  19   1.456   4.547  -7.175
  134   HG11  VAL  19          1HG1      VAL  19  -1.077   4.851  -8.776
  135   HG12  VAL  19          2HG1      VAL  19   0.538   5.468  -9.128
  136   HG13  VAL  19          3HG1      VAL  19  -0.437   6.219  -7.866
  137   HG21  VAL  19          3HG2      VAL  19   0.035   3.775  -5.269
  138   HG22  VAL  19          1HG2      VAL  19  -1.393   4.339  -6.139
  139   HG23  VAL  19          2HG2      VAL  19  -0.170   5.495  -5.608
  140    H    GLY  20           H        GLY  20   2.611   2.787  -8.805
  141    HA2  GLY  20           2HA      GLY  20   1.920   3.289 -11.575
  142    HA3  GLY  20           1HA      GLY  20   3.503   2.790 -10.981
  143    H    LEU  21           H        LEU  21   2.267   0.378  -9.621
  144    HA   LEU  21           HA       LEU  21   1.963  -1.296 -12.082
  145    HG   LEU  21           HG       LEU  21   2.494  -3.669 -11.645
  146    HB2  LEU  21           2HB      LEU  21   3.932  -1.384 -10.294
  147    HB3  LEU  21           1HB      LEU  21   2.773  -2.380  -9.414
  148   HD11  LEU  21          1HD1      LEU  21   4.278  -1.666 -12.491
  149   HD12  LEU  21          2HD1      LEU  21   3.800  -3.104 -13.394
  150   HD13  LEU  21          3HD1      LEU  21   5.249  -3.135 -12.389
  151   HD21  LEU  21          3HD2      LEU  21   5.125  -3.800 -10.135
  152   HD22  LEU  21          1HD2      LEU  21   4.427  -5.099 -11.102
  153   HD23  LEU  21          2HD2      LEU  21   3.620  -4.568  -9.628
  154    H    TRP  22           H        TRP  22  -0.309   0.024 -10.616
  155    HA   TRP  22           HA       TRP  22  -1.636  -2.266  -9.284
  156    HD1  TRP  22           HD1      TRP  22  -3.494  -2.794  -8.411
  157    HE1  TRP  22           HE1      TRP  22  -5.917  -2.673  -7.546
  158    HE3  TRP  22           HE3      TRP  22  -4.247   2.253  -8.617
  159    HZ2  TRP  22           HZ2      TRP  22  -7.905  -0.694  -6.992
  160    HZ3  TRP  22           HZ3      TRP  22  -6.412   3.227  -7.907
  161    HH2  TRP  22           HH2      TRP  22  -8.239   1.762  -7.095
  162    HB2  TRP  22           2HB      TRP  22  -1.696  -0.008  -8.276
  163    HB3  TRP  22           1HB      TRP  22  -2.468   0.623  -9.730
  164    H    ARG  23           H        ARG  23  -3.145  -3.485 -10.314
  165    HA   ARG  23           HA       ARG  23  -3.926  -2.823 -13.103
  166    HE   ARG  23           HE       ARG  23  -1.265  -5.962 -12.360
  167    HB2  ARG  23           2HB      ARG  23  -3.151  -5.125 -11.607
  168    HB3  ARG  23           1HB      ARG  23  -4.822  -5.383 -12.095
  169    HG2  ARG  23           2HG      ARG  23  -3.492  -6.233 -13.885
  170    HG3  ARG  23           1HG      ARG  23  -4.093  -4.673 -14.446
  171    HD2  ARG  23           2HD      ARG  23  -1.787  -4.577 -14.980
  172    HD3  ARG  23           1HD      ARG  23  -1.861  -3.732 -13.421
  173   HH11  ARG  23          2HH1      ARG  23   0.992  -4.736 -14.047
  174   HH12  ARG  23          1HH1      ARG  23   1.568  -6.138 -14.887
  175   HH21  ARG  23          1HH2      ARG  23  -1.233  -8.056 -14.135
  176   HH22  ARG  23          2HH2      ARG  23   0.301  -8.025 -14.938
  177    H    ASN  24           H        ASN  24  -6.368  -3.970 -13.388
  178    HA   ASN  24           HA       ASN  24  -8.319  -2.216 -12.505
  179    HB2  ASN  24           2HB      ASN  24  -8.198  -5.065 -13.332
  180    HB3  ASN  24           1HB      ASN  24  -9.680  -4.581 -12.510
  181   HD21  ASN  24          1HD2      ASN  24  -8.551  -4.936 -15.558
  182   HD22  ASN  24          2HD2      ASN  24  -9.378  -3.676 -16.341
  183    H    GLU  25           H        GLU  25  -7.113  -5.060 -10.742
  184    HA   GLU  25           HA       GLU  25  -7.824  -3.906  -8.152
  185    HB2  GLU  25           2HB      GLU  25  -9.472  -5.675  -7.594
  186    HB3  GLU  25           1HB      GLU  25 -10.006  -4.741  -8.991
  187    HG2  GLU  25           2HG      GLU  25  -9.255  -6.476 -10.512
  188    HG3  GLU  25           1HG      GLU  25  -8.514  -7.375  -9.189
  189    H    LYS  26           H        LYS  26  -5.421  -4.929  -9.444
  190    HA   LYS  26           HA       LYS  26  -4.629  -6.987  -7.449
  191    HB2  LYS  26           2HB      LYS  26  -5.594  -7.992  -9.596
  192    HB3  LYS  26           1HB      LYS  26  -4.193  -7.317 -10.425
  193    HG2  LYS  26           2HG      LYS  26  -2.691  -8.726  -9.325
  194    HG3  LYS  26           1HG      LYS  26  -3.787  -9.001  -7.971
  195    HD2  LYS  26           2HD      LYS  26  -5.150  -9.928 -10.266
  196    HD3  LYS  26           1HD      LYS  26  -3.498 -10.530 -10.408
  197    HE2  LYS  26           2HE      LYS  26  -4.828 -12.154  -9.142
  198    HE3  LYS  26           1HE      LYS  26  -3.675 -11.384  -8.038
  199    HZ1  LYS  26           3HZ      LYS  26  -5.292 -10.075  -7.099
  200    HZ2  LYS  26           1HZ      LYS  26  -6.192 -11.476  -7.421
  201    HZ3  LYS  26           2HZ      LYS  26  -6.309 -10.138  -8.461
  202    H    THR  27           H        THR  27  -2.240  -7.233  -7.380
  203    HA   THR  27           HA       THR  27  -0.589  -5.344  -8.923
  204    HB   THR  27           HB       THR  27  -1.603  -4.019  -7.046
  205    HG1  THR  27           HG1      THR  27   0.465  -3.509  -7.858
  206   HG21  THR  27          3HG2      THR  27  -1.231  -4.541  -4.791
  207   HG22  THR  27          1HG2      THR  27   0.121  -5.609  -5.163
  208   HG23  THR  27          2HG2      THR  27  -1.530  -6.125  -5.504
  209    H    GLU  28           H        GLU  28   1.659  -5.867  -8.757
  210    HA   GLU  28           HA       GLU  28   2.186  -8.559  -7.559
  211    HB2  GLU  28           2HB      GLU  28   3.693  -6.963  -9.663
  212    HB3  GLU  28           1HB      GLU  28   3.981  -8.649  -9.233
  213    HG2  GLU  28           2HG      GLU  28   2.522  -9.168 -10.885
  214    HG3  GLU  28           1HG      GLU  28   1.260  -8.597  -9.795
  215    H    LEU  29           H        LEU  29   3.095  -8.313  -5.519
  216    HA   LEU  29           HA       LEU  29   5.004  -6.054  -5.078
  217    HG   LEU  29           HG       LEU  29   3.054  -5.136  -4.354
  218    HB2  LEU  29           2HB      LEU  29   3.098  -7.652  -3.440
  219    HB3  LEU  29           1HB      LEU  29   4.544  -7.062  -2.625
  220   HD11  LEU  29          1HD1      LEU  29   2.087  -6.218  -1.705
  221   HD12  LEU  29          2HD1      LEU  29   1.171  -5.991  -3.195
  222   HD13  LEU  29          3HD1      LEU  29   1.670  -4.592  -2.245
  223   HD21  LEU  29          3HD2      LEU  29   5.080  -4.380  -3.285
  224   HD22  LEU  29          1HD2      LEU  29   4.566  -5.029  -1.728
  225   HD23  LEU  29          2HD2      LEU  29   3.733  -3.638  -2.423
  226    H    LEU  30           H        LEU  30   7.150  -6.560  -5.062
  227    HA   LEU  30           HA       LEU  30   9.150  -7.797  -4.935
  228    HG   LEU  30           HG       LEU  30  10.404  -9.199  -3.412
  229    HB2  LEU  30           2HB      LEU  30   7.719  -8.051  -2.620
  230    HB3  LEU  30           1HB      LEU  30   7.931  -9.744  -3.065
  231   HD11  LEU  30          1HD1      LEU  30  11.220  -7.134  -2.927
  232   HD12  LEU  30          2HD1      LEU  30  10.181  -6.954  -1.514
  233   HD13  LEU  30          3HD1      LEU  30   9.551  -6.601  -3.122
  234   HD21  LEU  30          3HD2      LEU  30   9.940  -8.662  -0.558
  235   HD22  LEU  30          1HD2      LEU  30  10.736 -10.035  -1.328
  236   HD23  LEU  30          2HD2      LEU  30   8.979 -10.002  -1.184
  237    H    GLY  31           H        GLY  31   7.179  -8.620  -6.983
  238    HA2  GLY  31           2HA      GLY  31   7.178 -10.315  -8.627
  239    HA3  GLY  31           1HA      GLY  31   8.337 -11.212  -7.651
  240    H    HIS  32           H        HIS  32   5.680 -10.327  -5.736
  241    HA   HIS  32           HA       HIS  32   4.545 -13.076  -5.984
  242    HD1  HIS  32           HD1      HIS  32   5.983 -14.327  -4.777
  243    HD2  HIS  32           HD2      HIS  32   6.711 -11.077  -2.271
  244    HE1  HIS  32           HE1      HIS  32   8.262 -14.716  -3.744
  245    HB2  HIS  32           2HB      HIS  32   4.421 -10.976  -3.794
  246    HB3  HIS  32           1HB      HIS  32   3.756 -12.599  -3.680
  247    H    GLU  33           H        GLU  33   2.155 -13.244  -5.791
  248    HA   GLU  33           HA       GLU  33   0.799 -11.104  -7.304
  249    HB2  GLU  33           2HB      GLU  33   0.489 -13.493  -7.842
  250    HB3  GLU  33           1HB      GLU  33  -0.119 -13.789  -6.214
  251    HG2  GLU  33           2HG      GLU  33  -2.004 -13.562  -7.750
  252    HG3  GLU  33           1HG      GLU  33  -1.977 -12.180  -6.654
  253    H    CYS  34           H        CYS  34  -0.340  -9.499  -6.306
  254    HA   CYS  34           HA       CYS  34  -1.403  -9.997  -3.554
  255    HB2  CYS  34           2HB      CYS  34   0.077  -7.602  -4.672
  256    HB3  CYS  34           1HB      CYS  34  -0.751  -7.591  -3.117
  257    H    LYS  35           H        LYS  35  -3.153  -8.346  -3.002
  258    HA   LYS  35           HA       LYS  35  -4.722  -7.633  -5.455
  259    HB2  LYS  35           2HB      LYS  35  -5.464  -9.619  -4.064
  260    HB3  LYS  35           1HB      LYS  35  -5.793  -8.482  -2.757
  261    HG2  LYS  35           2HG      LYS  35  -7.591  -7.528  -3.847
  262    HG3  LYS  35           1HG      LYS  35  -6.935  -7.866  -5.448
  263    HD2  LYS  35           2HD      LYS  35  -7.308 -10.401  -4.485
  264    HD3  LYS  35           1HD      LYS  35  -8.648  -9.545  -3.723
  265    HE2  LYS  35           2HE      LYS  35  -8.157  -9.010  -6.629
  266    HE3  LYS  35           1HE      LYS  35  -8.898 -10.560  -6.185
  267    HZ1  LYS  35           3HZ      LYS  35  -9.828  -7.987  -5.043
  268    HZ2  LYS  35           1HZ      LYS  35 -10.626  -9.485  -5.044
  269    HZ3  LYS  35           2HZ      LYS  35 -10.467  -8.606  -6.493
  270    H    PHE  36           H        PHE  36  -4.794  -5.446  -5.624
  271    HA   PHE  36           HA       PHE  36  -5.071  -3.787  -3.138
  272    HD1  PHE  36           HD2      PHE  36  -5.471  -1.782  -2.957
  273    HD2  PHE  36           HD1      PHE  36  -2.503  -1.055  -5.979
  274    HE1  PHE  36           HE2      PHE  36  -5.589   0.645  -2.494
  275    HE2  PHE  36           HE1      PHE  36  -2.622   1.373  -5.508
  276    HZ   PHE  36           HZ       PHE  36  -4.163   2.223  -3.766
  277    HB2  PHE  36           2HB      PHE  36  -2.979  -3.467  -4.401
  278    HB3  PHE  36           1HB      PHE  36  -3.887  -3.211  -5.883
  279    H    THR  37           H        THR  37  -7.153  -2.920  -2.973
  280    HA   THR  37           HA       THR  37  -8.592  -2.253  -5.511
  281    HB   THR  37           HB       THR  37 -10.626  -3.288  -4.202
  282    HG1  THR  37           HG1      THR  37 -10.062  -4.795  -2.723
  283   HG21  THR  37          3HG2      THR  37  -8.585  -5.263  -5.194
  284   HG22  THR  37          1HG2      THR  37  -9.347  -4.123  -6.302
  285   HG23  THR  37          2HG2      THR  37 -10.336  -5.279  -5.410
  286    H    VAL  38           H        VAL  38 -10.365  -0.752  -5.238
  287    HA   VAL  38           HA       VAL  38 -10.336   0.805  -2.683
  288    HB   VAL  38           HB       VAL  38  -9.015   1.805  -4.602
  289   HG11  VAL  38          1HG1      VAL  38 -10.247   2.743  -6.489
  290   HG12  VAL  38          2HG1      VAL  38 -11.769   2.144  -5.832
  291   HG13  VAL  38          3HG1      VAL  38 -10.548   1.008  -6.405
  292   HG21  VAL  38          3HG2      VAL  38  -9.791   4.019  -4.190
  293   HG22  VAL  38          1HG2      VAL  38 -10.186   3.113  -2.730
  294   HG23  VAL  38          2HG2      VAL  38 -11.444   3.470  -3.913
  295    H    LYS  39           H        LYS  39 -12.402   1.639  -2.057
  296    HA   LYS  39           HA       LYS  39 -14.720   1.217  -3.855
  297    HB2  LYS  39           2HB      LYS  39 -13.903  -0.798  -2.184
  298    HB3  LYS  39           1HB      LYS  39 -15.060   0.050  -1.158
  299    HG2  LYS  39           2HG      LYS  39 -16.530  -1.334  -2.264
  300    HG3  LYS  39           1HG      LYS  39 -16.504   0.000  -3.417
  301    HD2  LYS  39           2HD      LYS  39 -14.281  -1.622  -4.061
  302    HD3  LYS  39           1HD      LYS  39 -15.625  -2.730  -3.786
  303    HE2  LYS  39           2HE      LYS  39 -16.162  -0.279  -5.428
  304    HE3  LYS  39           1HE      LYS  39 -15.264  -1.612  -6.180
  305    HZ1  LYS  39           3HZ      LYS  39 -17.839  -1.900  -4.716
  306    HZ2  LYS  39           1HZ      LYS  39 -16.982  -3.148  -5.481
  307    HZ3  LYS  39           2HZ      LYS  39 -17.676  -1.904  -6.407
  308    HA   PRO  40           HA       PRO  40 -15.494   4.900  -1.358
  309    HB2  PRO  40           2HB      PRO  40 -17.198   6.079  -3.133
  310    HB3  PRO  40           1HB      PRO  40 -15.434   6.140  -3.312
  311    HG2  PRO  40           2HG      PRO  40 -17.424   4.485  -4.750
  312    HG3  PRO  40           1HG      PRO  40 -15.892   5.159  -5.319
  313    HD2  PRO  40           2HD      PRO  40 -16.315   2.519  -4.558
  314    HD3  PRO  40           1HD      PRO  40 -14.732   3.313  -4.701
  315    H    TYR  41           H        TYR  41 -17.445   5.694  -0.267
  316    HA   TYR  41           HA       TYR  41 -19.817   3.868  -0.459
  317    HD1  TYR  41           HD1      TYR  41 -18.931   1.854   0.323
  318    HD2  TYR  41           HD2      TYR  41 -16.726   4.489   2.901
  319    HE1  TYR  41           HE1      TYR  41 -17.115   0.174   0.486
  320    HE2  TYR  41           HE2      TYR  41 -14.912   2.810   3.064
  321    HH   TYR  41           HH       TYR  41 -14.746   0.074   1.002
  322    HB2  TYR  41           2HB      TYR  41 -18.772   5.192   2.051
  323    HB3  TYR  41           1HB      TYR  41 -19.953   3.897   1.933
  324    H    LEU  42           H        LEU  42 -21.643   5.078   0.975
  325    HA   LEU  42           HA       LEU  42 -21.642   7.992   0.366
  326    HG   LEU  42           HG       LEU  42 -22.947   9.024  -0.807
  327    HB2  LEU  42           2HB      LEU  42 -22.675   6.302  -1.419
  328    HB3  LEU  42           1HB      LEU  42 -24.058   6.377  -0.327
  329   HD11  LEU  42          1HD1      LEU  42 -23.808   9.127  -3.191
  330   HD12  LEU  42          2HD1      LEU  42 -23.827   7.364  -3.181
  331   HD13  LEU  42          3HD1      LEU  42 -22.304   8.231  -2.982
  332   HD21  LEU  42          3HD2      LEU  42 -25.301   9.518  -1.303
  333   HD22  LEU  42          1HD2      LEU  42 -25.191   8.503   0.136
  334   HD23  LEU  42          2HD2      LEU  42 -25.657   7.793  -1.409
  335    H    LYS  43           H        LYS  43 -22.860   9.181   1.802
  336    HA   LYS  43           HA       LYS  43 -24.263   7.705   4.003
  337    HB2  LYS  43           2HB      LYS  43 -22.004   9.163   4.197
  338    HB3  LYS  43           1HB      LYS  43 -23.178  10.471   4.333
  339    HG2  LYS  43           2HG      LYS  43 -23.016   9.867   6.560
  340    HG3  LYS  43           1HG      LYS  43 -24.321   8.793   6.060
  341    HD2  LYS  43           2HD      LYS  43 -22.109   7.306   5.404
  342    HD3  LYS  43           1HD      LYS  43 -21.555   8.145   6.854
  343    HE2  LYS  43           2HE      LYS  43 -24.277   6.846   6.844
  344    HE3  LYS  43           1HE      LYS  43 -22.828   5.866   7.138
  345    HZ1  LYS  43           3HZ      LYS  43 -23.783   6.866   9.188
  346    HZ2  LYS  43           1HZ      LYS  43 -23.438   8.404   8.565
  347    HZ3  LYS  43           2HZ      LYS  43 -22.172   7.322   8.901
  348    H    ARG  44           H        ARG  44 -25.843   9.397   5.125
  349    HA   ARG  44           HA       ARG  44 -28.065   9.933   3.602
  350    HE   ARG  44           HE       ARG  44 -30.582  11.142   6.764
  351    HB2  ARG  44           2HB      ARG  44 -26.834  11.347   5.963
  352    HB3  ARG  44           1HB      ARG  44 -28.397  11.854   5.324
  353    HG2  ARG  44           2HG      ARG  44 -27.769   8.999   6.127
  354    HG3  ARG  44           1HG      ARG  44 -28.536  10.165   7.204
  355    HD2  ARG  44           2HD      ARG  44 -29.655   9.468   4.465
  356    HD3  ARG  44           1HD      ARG  44 -30.173   8.673   5.964
  357   HH11  ARG  44          1HH2      ARG  44 -29.971  12.148   3.939
  358   HH12  ARG  44          2HH2      ARG  44 -31.568  12.343   3.303
  359   HH21  ARG  44          2HH1      ARG  44 -33.072  10.430   5.786
  360   HH22  ARG  44          1HH1      ARG  44 -33.333  11.368   4.353
  361    H    PHE  45           H        PHE  45 -25.221  12.064   3.863
  362    HA   PHE  45           HA       PHE  45 -26.011  13.417   1.368
  363    HD1  PHE  45           HD2      PHE  45 -26.084  15.930   0.593
  364    HD2  PHE  45           HD1      PHE  45 -28.849  14.756   3.664
  365    HE1  PHE  45           HE2      PHE  45 -27.966  16.804  -0.766
  366    HE2  PHE  45           HE1      PHE  45 -30.730  15.629   2.305
  367    HZ   PHE  45           HZ       PHE  45 -30.289  16.652   0.089
  368    HB2  PHE  45           2HB      PHE  45 -26.566  14.450   4.016
  369    HB3  PHE  45           1HB      PHE  45 -25.457  15.529   3.172
  370    H    GLN  46           H        GLN  46 -23.711  11.766   2.100
  371    HA   GLN  46           HA       GLN  46 -21.561  13.674   1.401
  372    HB2  GLN  46           2HB      GLN  46 -22.042  12.580   4.089
  373    HB3  GLN  46           1HB      GLN  46 -20.396  12.330   3.514
  374    HG2  GLN  46           2HG      GLN  46 -20.392  14.803   2.866
  375    HG3  GLN  46           1HG      GLN  46 -21.875  14.951   3.808
  376   HE21  GLN  46          1HE2      GLN  46 -21.523  15.511   5.963
  377   HE22  GLN  46          2HE2      GLN  46 -20.108  15.175   6.838
  378    H    VAL  47           H        VAL  47 -20.035  12.661   0.135
  379    HA   VAL  47           HA       VAL  47 -20.259   9.710  -0.240
  380    HB   VAL  47           HB       VAL  47 -18.875  11.914  -1.814
  381   HG11  VAL  47          1HG1      VAL  47 -17.714   9.869  -2.261
  382   HG12  VAL  47          2HG1      VAL  47 -18.838  10.089  -3.603
  383   HG13  VAL  47          3HG1      VAL  47 -19.219   8.949  -2.313
  384   HG21  VAL  47          3HG2      VAL  47 -20.721  11.534  -3.430
  385   HG22  VAL  47          1HG2      VAL  47 -21.336  12.066  -1.865
  386   HG23  VAL  47          2HG2      VAL  47 -21.439  10.365  -2.322
  387    H    TYR  48           H        TYR  48 -18.726   8.425   0.720
  388    HA   TYR  48           HA       TYR  48 -16.215   9.712   1.715
  389    HD1  TYR  48           HD2      TYR  48 -15.568   9.450   4.507
  390    HD2  TYR  48           HD1      TYR  48 -19.657   8.860   3.320
  391    HE1  TYR  48           HE2      TYR  48 -16.305  11.078   6.225
  392    HE2  TYR  48           HE1      TYR  48 -20.390  10.488   5.037
  393    HH   TYR  48           HH       TYR  48 -18.830  12.664   6.288
  394    HB2  TYR  48           2HB      TYR  48 -17.915   7.362   2.542
  395    HB3  TYR  48           1HB      TYR  48 -16.254   7.513   3.115
  396    H    TYR  49           H        TYR  49 -14.217   8.389   1.566
  397    HA   TYR  49           HA       TYR  49 -14.250   6.456  -0.725
  398    HD1  TYR  49           HD2      TYR  49 -14.962   9.119  -2.040
  399    HD2  TYR  49           HD1      TYR  49 -11.379   6.866  -2.778
  400    HE1  TYR  49           HE2      TYR  49 -15.507   9.042  -4.457
  401    HE2  TYR  49           HE1      TYR  49 -11.921   6.792  -5.196
  402    HH   TYR  49           HH       TYR  49 -14.854   7.343  -6.436
  403    HB2  TYR  49           2HB      TYR  49 -12.985   9.038  -0.400
  404    HB3  TYR  49           1HB      TYR  49 -11.761   7.792  -0.640
  405    H    LYS  50           H        LYS  50 -12.923   4.640  -0.468
  406    HA   LYS  50           HA       LYS  50 -10.995   4.513   1.774
  407    HB2  LYS  50           2HB      LYS  50 -13.079   3.983   2.872
  408    HB3  LYS  50           1HB      LYS  50 -13.548   2.896   1.565
  409    HG2  LYS  50           2HG      LYS  50 -12.131   1.214   2.259
  410    HG3  LYS  50           1HG      LYS  50 -10.971   2.338   2.966
  411    HD2  LYS  50           2HD      LYS  50 -12.864   2.850   4.681
  412    HD3  LYS  50           1HD      LYS  50 -13.559   1.327   4.124
  413    HE2  LYS  50           2HE      LYS  50 -11.457   0.150   4.673
  414    HE3  LYS  50           1HE      LYS  50 -10.747   1.678   5.227
  415    HZ1  LYS  50           3HZ      LYS  50 -13.278   0.538   6.289
  416    HZ2  LYS  50           1HZ      LYS  50 -12.447   1.896   6.876
  417    HZ3  LYS  50           2HZ      LYS  50 -11.766   0.348   7.037
  418    H    GLY  51           H        GLY  51  -9.510   2.745   1.518
  419    HA2  GLY  51           2HA      GLY  51  -9.925   0.912  -0.759
  420    HA3  GLY  51           1HA      GLY  51  -8.522   1.973  -0.850
  421    H    ARG  52           H        ARG  52  -8.621  -0.974  -0.629
  422    HA   ARG  52           HA       ARG  52  -6.849  -1.240   1.754
  423    HE   ARG  52           HE       ARG  52  -9.218  -5.949   2.882
  424    HB2  ARG  52           2HB      ARG  52  -9.081  -1.924   2.463
  425    HB3  ARG  52           1HB      ARG  52  -9.247  -2.960   1.044
  426    HG2  ARG  52           2HG      ARG  52  -7.822  -4.574   1.878
  427    HG3  ARG  52           1HG      ARG  52  -6.884  -3.413   2.816
  428    HD2  ARG  52           2HD      ARG  52  -8.039  -4.376   4.568
  429    HD3  ARG  52           1HD      ARG  52  -9.282  -3.205   4.085
  430   HH11  ARG  52          1HH2      ARG  52 -11.174  -3.503   2.427
  431   HH12  ARG  52          2HH2      ARG  52 -12.580  -4.119   3.229
  432   HH21  ARG  52          2HH1      ARG  52 -10.866  -6.686   4.827
  433   HH22  ARG  52          1HH1      ARG  52 -12.407  -5.931   4.589
  434    H    MET  53           H        MET  53  -5.176  -2.771   1.428
  435    HA   MET  53           HA       MET  53  -5.273  -4.440  -1.029
  436    HB2  MET  53           2HB      MET  53  -3.261  -3.522  -1.904
  437    HB3  MET  53           1HB      MET  53  -4.230  -2.138  -1.423
  438    HG2  MET  53           2HG      MET  53  -2.379  -1.470  -0.295
  439    HG3  MET  53           1HG      MET  53  -2.830  -2.694   0.890
  440    HE1  MET  53           3HE      MET  53  -0.472  -3.006  -2.810
  441    HE2  MET  53           1HE      MET  53   0.510  -2.050  -1.693
  442    HE3  MET  53           2HE      MET  53  -1.156  -1.584  -2.028
  443    H    TRP  54           H        TRP  54  -4.003  -6.294  -0.911
  444    HA   TRP  54           HA       TRP  54  -2.209  -6.749   1.396
  445    HD1  TRP  54           HD1      TRP  54  -4.300 -10.438   0.259
  446    HE1  TRP  54           HE1      TRP  54  -6.467 -10.667  -1.117
  447    HE3  TRP  54           HE3      TRP  54  -6.381  -5.850   1.109
  448    HZ2  TRP  54           HZ2      TRP  54  -8.775  -9.108  -1.777
  449    HZ3  TRP  54           HZ3      TRP  54  -8.558  -5.247   0.092
  450    HH2  TRP  54           HH2      TRP  54  -9.757  -6.870  -1.349
  451    HB2  TRP  54           2HB      TRP  54  -3.561  -8.712   2.138
  452    HB3  TRP  54           1HB      TRP  54  -4.461  -7.204   2.278
  453    H    CYS  55           H        CYS  55  -1.853  -9.468   1.202
  454    HA   CYS  55           HA       CYS  55  -1.331  -9.983  -1.691
  455    HB2  CYS  55           2HB      CYS  55   0.524 -10.108   0.677
  456    HB3  CYS  55           1HB      CYS  55   0.888 -10.953  -0.824
  457    HA   PRO  56           HA       PRO  56  -3.374 -13.669   0.090
  458    HB2  PRO  56           2HB      PRO  56  -4.699 -14.340  -2.212
  459    HB3  PRO  56           1HB      PRO  56  -5.325 -13.153  -1.051
  460    HG2  PRO  56           2HG      PRO  56  -3.928 -12.711  -3.640
  461    HG3  PRO  56           1HG      PRO  56  -5.276 -11.821  -2.918
  462    HD2  PRO  56           2HD      PRO  56  -2.693 -10.944  -2.883
  463    HD3  PRO  56           1HD      PRO  56  -3.899 -10.497  -1.668
  464    H    GLY  57           H        GLY  57  -1.080 -14.465   0.056
  465    HA2  GLY  57           2HA      GLY  57  -0.529 -16.839  -1.073
  466    HA3  GLY  57           1HA      GLY  57  -0.176 -15.772  -2.431
  467    H    TRP  58           H        TRP  58   0.960 -13.592  -1.062
  468    HA   TRP  58           HA       TRP  58   3.656 -14.563  -0.598
  469    HD1  TRP  58           HD1      TRP  58   5.607 -13.894  -0.304
  470    HE1  TRP  58           HE1      TRP  58   7.582 -12.414   0.436
  471    HE3  TRP  58           HE3      TRP  58   3.247  -9.377   0.045
  472    HZ2  TRP  58           HZ2      TRP  58   8.096  -9.679   1.089
  473    HZ3  TRP  58           HZ3      TRP  58   4.505  -7.353   0.726
  474    HH2  TRP  58           HH2      TRP  58   6.924  -7.500   1.249
  475    HB2  TRP  58           2HB      TRP  58   3.017 -12.392  -1.660
  476    HB3  TRP  58           1HB      TRP  58   2.392 -11.846  -0.111
  477    H    THR  59           H        THR  59   1.286 -12.890   1.513
  478    HA   THR  59           HA       THR  59   2.241 -14.430   3.842
  479    HB   THR  59           HB       THR  59   3.819 -12.552   3.631
  480    HG1  THR  59           HG1      THR  59   3.594 -12.778   5.713
  481   HG21  THR  59          3HG2      THR  59   2.203 -10.311   4.240
  482   HG22  THR  59          1HG2      THR  59   1.421 -11.133   2.889
  483   HG23  THR  59          2HG2      THR  59   3.100 -10.614   2.752
  484    H    ALA  60           H        ALA  60   1.010 -13.027   5.848
  485    HA   ALA  60           HA       ALA  60  -1.861 -12.917   4.987
  486    HB1  ALA  60           3HB      ALA  60  -0.566 -13.828   7.579
  487    HB2  ALA  60           1HB      ALA  60  -1.273 -14.875   6.348
  488    HB3  ALA  60           2HB      ALA  60  -2.304 -13.792   7.283
  489    H    ILE  61           H        ILE  61  -0.296 -10.565   4.882
  490    HA   ILE  61           HA       ILE  61  -1.232  -9.029   7.285
  491    HB   ILE  61           HB       ILE  61   1.155  -8.733   5.432
  492   HG12  ILE  61          2HG1      ILE  61   1.112  -8.948   8.448
  493   HG13  ILE  61          1HG1      ILE  61   1.114 -10.383   7.423
  494   HG21  ILE  61          1HG2      ILE  61   1.751  -6.770   6.894
  495   HG22  ILE  61          2HG2      ILE  61   0.133  -6.860   7.588
  496   HG23  ILE  61          3HG2      ILE  61   0.338  -6.494   5.876
  497   HD11  ILE  61          3HD1      ILE  61   3.403 -10.013   7.824
  498   HD12  ILE  61          1HD1      ILE  61   3.236  -8.261   7.695
  499   HD13  ILE  61          2HD1      ILE  61   3.147  -9.265   6.247
  500    H    ARG  62           H        ARG  62  -2.053  -6.841   6.803
  501    HA   ARG  62           HA       ARG  62  -2.684  -6.284   3.954
  502    HE   ARG  62           HE       ARG  62  -5.732  -9.141   8.232
  503    HB2  ARG  62           2HB      ARG  62  -5.093  -5.832   4.822
  504    HB3  ARG  62           1HB      ARG  62  -4.603  -7.499   4.550
  505    HG2  ARG  62           2HG      ARG  62  -3.964  -7.592   7.014
  506    HG3  ARG  62           1HG      ARG  62  -4.757  -6.026   7.194
  507    HD2  ARG  62           2HD      ARG  62  -6.739  -7.100   7.405
  508    HD3  ARG  62           1HD      ARG  62  -6.551  -7.720   5.753
  509   HH11  ARG  62          2HH1      ARG  62  -7.548 -10.165   5.971
  510   HH12  ARG  62          1HH1      ARG  62  -6.493 -11.300   5.199
  511   HH21  ARG  62          1HH2      ARG  62  -3.625 -10.066   6.726
  512   HH22  ARG  62          2HH2      ARG  62  -4.259 -11.236   5.619
  513    H    GLY  63           H        GLY  63  -3.661  -4.101   3.691
  514    HA2  GLY  63           2HA      GLY  63  -3.276  -2.196   5.910
  515    HA3  GLY  63           1HA      GLY  63  -2.233  -1.961   4.511
  516    H    GLU  64           H        GLU  64  -4.909  -0.745   5.795
  517    HA   GLU  64           HA       GLU  64  -6.019   0.026   3.149
  518    HB2  GLU  64           2HB      GLU  64  -8.292  -0.494   3.975
  519    HB3  GLU  64           1HB      GLU  64  -7.278  -1.931   3.965
  520    HG2  GLU  64           2HG      GLU  64  -7.645  -2.216   6.164
  521    HG3  GLU  64           1HG      GLU  64  -6.949  -0.629   6.494
  522    H    ALA  65           H        ALA  65  -7.396   1.967   3.302
  523    HA   ALA  65           HA       ALA  65  -7.300   3.487   5.848
  524    HB1  ALA  65           3HB      ALA  65  -5.198   4.114   5.003
  525    HB2  ALA  65           1HB      ALA  65  -6.247   5.401   4.405
  526    HB3  ALA  65           2HB      ALA  65  -5.762   4.089   3.332
  527    H    SER  66           H        SER  66  -8.561   5.543   5.667
  528    HA   SER  66           HA       SER  66 -10.452   5.651   3.358
  529    HG   SER  66           HG       SER  66 -10.608   4.078   6.490
  530    HB2  SER  66           2HB      SER  66 -11.499   6.003   6.139
  531    HB3  SER  66           1HB      SER  66 -12.327   5.405   4.708
  532    H    THR  67           H        THR  67 -11.080   7.760   2.843
  533    HA   THR  67           HA       THR  67 -10.899  10.003   4.669
  534    HB   THR  67           HB       THR  67  -8.493   9.481   4.328
  535    HG1  THR  67           HG1      THR  67  -7.909  11.561   3.778
  536   HG21  THR  67          3HG2      THR  67  -8.500   8.464   2.158
  537   HG22  THR  67          1HG2      THR  67  -7.554   9.944   2.016
  538   HG23  THR  67          2HG2      THR  67  -9.212   9.897   1.418
  539    H    ARG  68           H        ARG  68 -11.154  12.133   3.392
  540    HA   ARG  68           HA       ARG  68 -13.295  11.908   1.488
  541    HE   ARG  68           HE       ARG  68 -10.706  16.793   0.280
  542    HB2  ARG  68           2HB      ARG  68 -13.118  14.314   1.418
  543    HB3  ARG  68           1HB      ARG  68 -12.750  13.815   3.063
  544    HG2  ARG  68           2HG      ARG  68 -10.376  14.075   2.684
  545    HG3  ARG  68           1HG      ARG  68 -10.634  14.354   0.962
  546    HD2  ARG  68           2HD      ARG  68 -12.075  16.162   2.862
  547    HD3  ARG  68           1HD      ARG  68 -10.329  16.407   2.651
  548   HH11  ARG  68          2HH1      ARG  68 -12.762  18.615   1.478
  549   HH12  ARG  68          1HH1      ARG  68 -14.186  18.199   0.585
  550   HH21  ARG  68          1HH2      ARG  68 -12.882  15.201  -0.604
  551   HH22  ARG  68          2HH2      ARG  68 -14.256  16.257  -0.595
  552    H    SER  69           H        SER  69  -9.807  12.345   1.131
  553    HA   SER  69           HA       SER  69  -9.646  13.013  -1.624
  554    HG   SER  69           HG       SER  69  -6.887  13.114   0.751
  555    HB2  SER  69           2HB      SER  69  -7.729  11.197  -0.158
  556    HB3  SER  69           1HB      SER  69  -7.360  12.396  -1.391
  557    H    GLN  70           H        GLN  70  -9.259  11.674  -3.473
  558    HA   GLN  70           HA       GLN  70 -10.525   8.984  -3.316
  559    HB2  GLN  70           2HB      GLN  70  -9.892  10.873  -5.609
  560    HB3  GLN  70           1HB      GLN  70 -10.705   9.319  -5.796
  561    HG2  GLN  70           2HG      GLN  70 -12.548  10.061  -4.385
  562    HG3  GLN  70           1HG      GLN  70 -11.717  11.578  -4.041
  563   HE21  GLN  70          1HE2      GLN  70 -13.192   9.706  -6.733
  564   HE22  GLN  70          2HE2      GLN  70 -13.503  11.063  -7.703
  565    H    SER  71           H        SER  71  -7.829  10.491  -5.158
  566    HA   SER  71           HA       SER  71  -6.509   7.943  -5.614
  567    HG   SER  71           HG       SER  71  -4.644   9.591  -7.891
  568    HB2  SER  71           2HB      SER  71  -6.488  10.441  -6.738
  569    HB3  SER  71           1HB      SER  71  -4.975  10.466  -5.837
  570    H    GLY  72           H        GLY  72  -6.237  10.513  -3.203
  571    HA2  GLY  72           2HA      GLY  72  -3.678   9.847  -2.136
  572    HA3  GLY  72           1HA      GLY  72  -4.960  10.667  -1.246
  573    H    VAL  73           H        VAL  73  -6.926   8.556  -1.404
  574    HA   VAL  73           HA       VAL  73  -6.170   6.979   0.863
  575    HB   VAL  73           HB       VAL  73  -8.487   7.665  -0.268
  576   HG11  VAL  73          1HG1      VAL  73  -8.037   6.209  -2.280
  577   HG12  VAL  73          2HG1      VAL  73  -9.553   5.852  -1.455
  578   HG13  VAL  73          3HG1      VAL  73  -8.152   4.807  -1.217
  579   HG21  VAL  73          3HG2      VAL  73  -9.575   5.987   1.136
  580   HG22  VAL  73          1HG2      VAL  73  -8.143   6.604   1.960
  581   HG23  VAL  73          2HG2      VAL  73  -8.098   5.025   1.173
  582    H    ALA  74           H        ALA  74  -6.036   6.312  -2.624
  583    HA   ALA  74           HA       ALA  74  -5.441   3.504  -2.456
  584    HB1  ALA  74           3HB      ALA  74  -4.995   5.718  -4.459
  585    HB2  ALA  74           1HB      ALA  74  -6.113   4.357  -4.556
  586    HB3  ALA  74           2HB      ALA  74  -4.382   4.093  -4.770
  587    H    GLY  75           H        GLY  75  -3.331   6.389  -2.650
  588    HA2  GLY  75           2HA      GLY  75  -0.849   4.977  -2.571
  589    HA3  GLY  75           1HA      GLY  75  -1.067   6.662  -2.098
  590    H    LYS  76           H        LYS  76  -3.011   6.176  -0.029
  591    HA   LYS  76           HA       LYS  76  -1.274   5.564   2.191
  592    HB2  LYS  76           2HB      LYS  76  -3.624   6.921   1.772
  593    HB3  LYS  76           1HB      LYS  76  -4.202   5.465   2.583
  594    HG2  LYS  76           2HG      LYS  76  -2.157   5.961   4.201
  595    HG3  LYS  76           1HG      LYS  76  -2.376   7.606   3.604
  596    HD2  LYS  76           2HD      LYS  76  -4.953   6.968   4.117
  597    HD3  LYS  76           1HD      LYS  76  -4.153   5.964   5.327
  598    HE2  LYS  76           2HE      LYS  76  -2.774   8.216   5.764
  599    HE3  LYS  76           1HE      LYS  76  -4.258   8.948   5.117
  600    HZ1  LYS  76           3HZ      LYS  76  -5.490   7.392   6.645
  601    HZ2  LYS  76           1HZ      LYS  76  -4.640   8.642   7.414
  602    HZ3  LYS  76           2HZ      LYS  76  -4.002   7.067   7.399
  603    H    THR  77           H        THR  77  -3.846   3.770   0.479
  604    HA   THR  77           HA       THR  77  -4.076   1.521   2.185
  605    HB   THR  77           HB       THR  77  -4.272   1.924  -0.815
  606    HG1  THR  77           HG1      THR  77  -5.944   2.897   0.102
  607   HG21  THR  77          3HG2      THR  77  -3.930  -0.382  -0.744
  608   HG22  THR  77          1HG2      THR  77  -5.683  -0.269  -0.598
  609   HG23  THR  77          2HG2      THR  77  -4.695  -0.547   0.835
  610    H    ALA  78           H        ALA  78  -1.808   2.141  -0.502
  611    HA   ALA  78           HA       ALA  78  -0.395  -0.369  -0.242
  612    HB1  ALA  78           3HB      ALA  78  -0.548   1.298  -2.211
  613    HB2  ALA  78           1HB      ALA  78   1.035   0.590  -1.892
  614    HB3  ALA  78           2HB      ALA  78   0.679   2.230  -1.353
  615    H    LYS  79           H        LYS  79   0.109   2.910   1.052
  616    HA   LYS  79           HA       LYS  79   2.662   2.399   2.292
  617    HB2  LYS  79           2HB      LYS  79   1.397   4.602   1.713
  618    HB3  LYS  79           1HB      LYS  79   0.582   4.363   3.259
  619    HG2  LYS  79           2HG      LYS  79   3.510   4.031   3.380
  620    HG3  LYS  79           1HG      LYS  79   2.988   5.660   2.951
  621    HD2  LYS  79           2HD      LYS  79   1.517   4.359   5.185
  622    HD3  LYS  79           1HD      LYS  79   3.190   4.815   5.512
  623    HE2  LYS  79           2HE      LYS  79   2.620   7.123   4.567
  624    HE3  LYS  79           1HE      LYS  79   0.920   6.622   4.634
  625    HZ1  LYS  79           3HZ      LYS  79   1.207   6.066   6.971
  626    HZ2  LYS  79           1HZ      LYS  79   1.591   7.698   6.704
  627    HZ3  LYS  79           2HZ      LYS  79   2.833   6.556   6.914
  628    H    ASP  80           H        ASP  80  -0.710   2.162   3.441
  629    HA   ASP  80           HA       ASP  80  -0.074   1.563   6.184
  630    HB2  ASP  80           2HB      ASP  80  -2.448   1.262   4.355
  631    HB3  ASP  80           1HB      ASP  80  -2.497   0.534   5.959
  632    H    PHE  81           H        PHE  81  -0.336  -0.449   3.279
  633    HA   PHE  81           HA       PHE  81  -0.218  -2.956   4.804
  634    HD1  PHE  81           HD2      PHE  81  -0.958  -5.301   3.720
  635    HD2  PHE  81           HD1      PHE  81   1.662  -3.466   0.855
  636    HE1  PHE  81           HE2      PHE  81   0.016  -7.518   3.190
  637    HE2  PHE  81           HE1      PHE  81   2.635  -5.684   0.325
  638    HZ   PHE  81           HZ       PHE  81   1.813  -7.710   1.493
  639    HB2  PHE  81           2HB      PHE  81  -1.377  -2.961   2.694
  640    HB3  PHE  81           1HB      PHE  81  -0.024  -2.179   1.877
  641    H    VAL  82           H        VAL  82   2.013  -0.854   3.011
  642    HA   VAL  82           HA       VAL  82   4.305  -2.593   3.125
  643    HB   VAL  82           HB       VAL  82   3.884   0.386   2.775
  644   HG11  VAL  82          1HG1      VAL  82   6.095   0.303   3.606
  645   HG12  VAL  82          2HG1      VAL  82   6.305   0.247   1.855
  646   HG13  VAL  82          3HG1      VAL  82   6.433  -1.233   2.807
  647   HG21  VAL  82          3HG2      VAL  82   3.172  -1.413   1.040
  648   HG22  VAL  82          1HG2      VAL  82   4.900  -1.618   0.761
  649   HG23  VAL  82          2HG2      VAL  82   4.139  -0.054   0.467
  650    H    ARG  83           H        ARG  83   3.082  -0.020   5.300
  651    HA   ARG  83           HA       ARG  83   5.383  -0.036   7.052
  652    HE   ARG  83           HE       ARG  83   0.824   1.246  10.316
  653    HB2  ARG  83           2HB      ARG  83   3.965   1.297   8.484
  654    HB3  ARG  83           1HB      ARG  83   3.595   1.742   6.823
  655    HG2  ARG  83           2HG      ARG  83   1.629   0.264   6.857
  656    HG3  ARG  83           1HG      ARG  83   1.997  -0.198   8.518
  657    HD2  ARG  83           2HD      ARG  83   1.750   2.727   7.901
  658    HD3  ARG  83           1HD      ARG  83   0.266   1.763   8.024
  659   HH11  ARG  83          2HH1      ARG  83   1.521   4.232  10.088
  660   HH12  ARG  83          1HH1      ARG  83   3.041   4.275  10.918
  661   HH21  ARG  83          1HH2      ARG  83   3.498   0.826  10.791
  662   HH22  ARG  83          2HH2      ARG  83   4.166   2.336  11.321
  663    H    LYS  84           H        LYS  84   2.309  -1.824   7.032
  664    HA   LYS  84           HA       LYS  84   2.678  -3.178   9.552
  665    HB2  LYS  84           2HB      LYS  84   0.823  -3.080   7.363
  666    HB3  LYS  84           1HB      LYS  84   1.214  -4.771   7.666
  667    HG2  LYS  84           2HG      LYS  84  -0.490  -4.502   9.201
  668    HG3  LYS  84           1HG      LYS  84   0.878  -4.019  10.204
  669    HD2  LYS  84           2HD      LYS  84   0.140  -1.888  10.351
  670    HD3  LYS  84           1HD      LYS  84  -0.154  -1.794   8.615
  671    HE2  LYS  84           2HE      LYS  84  -2.358  -2.578   8.809
  672    HE3  LYS  84           1HE      LYS  84  -2.038  -3.375  10.362
  673    HZ1  LYS  84           3HZ      LYS  84  -1.962  -0.434   9.908
  674    HZ2  LYS  84           1HZ      LYS  84  -1.723  -1.225  11.390
  675    HZ3  LYS  84           2HZ      LYS  84  -3.248  -1.268  10.643
  676    H    ALA  85           H        ALA  85   3.553  -3.986   6.189
  677    HA   ALA  85           HA       ALA  85   4.654  -6.599   6.779
  678    HB1  ALA  85           3HB      ALA  85   5.398  -4.738   4.509
  679    HB2  ALA  85           1HB      ALA  85   3.850  -5.584   4.552
  680    HB3  ALA  85           2HB      ALA  85   5.357  -6.501   4.491
  681    H    PHE  86           H        PHE  86   5.928  -3.296   6.741
  682    HA   PHE  86           HA       PHE  86   8.728  -3.925   6.888
  683    HD1  PHE  86           HD2      PHE  86  10.595  -2.474   7.609
  684    HD2  PHE  86           HD1      PHE  86   7.741  -0.477   5.096
  685    HE1  PHE  86           HE2      PHE  86  12.430  -1.725   6.119
  686    HE2  PHE  86           HE1      PHE  86   9.576   0.272   3.606
  687    HZ   PHE  86           HZ       PHE  86  11.922  -0.353   4.118
  688    HB2  PHE  86           2HB      PHE  86   6.982  -1.650   6.952
  689    HB3  PHE  86           1HB      PHE  86   8.064  -1.531   8.337
  690    H    GLN  87           H        GLN  87   6.218  -3.394   9.379
  691    HA   GLN  87           HA       GLN  87   7.969  -3.674  11.655
  692    HB2  GLN  87           2HB      GLN  87   5.008  -3.843  11.105
  693    HB3  GLN  87           1HB      GLN  87   5.632  -4.196  12.716
  694    HG2  GLN  87           2HG      GLN  87   6.523  -2.012  12.974
  695    HG3  GLN  87           1HG      GLN  87   6.390  -1.668  11.249
  696   HE21  GLN  87          1HE2      GLN  87   4.389  -2.240  14.182
  697   HE22  GLN  87          2HE2      GLN  87   3.042  -1.378  13.612
  698    H    LYS  88           H        LYS  88   6.012  -5.990   9.776
  699    HA   LYS  88           HA       LYS  88   6.460  -8.260  11.515
  700    HB2  LYS  88           2HB      LYS  88   5.517  -7.779   8.693
  701    HB3  LYS  88           1HB      LYS  88   5.768  -9.426   9.269
  702    HG2  LYS  88           2HG      LYS  88   4.312  -7.868  11.234
  703    HG3  LYS  88           1HG      LYS  88   3.489  -7.831   9.675
  704    HD2  LYS  88           2HD      LYS  88   2.712  -9.906  10.070
  705    HD3  LYS  88           1HD      LYS  88   4.372 -10.500  10.054
  706    HE2  LYS  88           2HE      LYS  88   3.417 -11.134  12.187
  707    HE3  LYS  88           1HE      LYS  88   4.523  -9.784  12.506
  708    HZ1  LYS  88           3HZ      LYS  88   2.226  -9.548  13.478
  709    HZ2  LYS  88           1HZ      LYS  88   1.643  -9.396  11.894
  710    HZ3  LYS  88           2HZ      LYS  88   2.741  -8.253  12.509
  711    H    GLY  89           H        GLY  89   7.886  -7.345   8.358
  712    HA2  GLY  89           2HA      GLY  89  10.432  -7.523   8.302
  713    HA3  GLY  89           1HA      GLY  89  10.183  -9.137   8.958
  714    H    LEU  90           H        LEU  90   8.510  -7.357   6.342
  715    HA   LEU  90           HA       LEU  90   9.142  -9.653   4.527
  716    HG   LEU  90           HG       LEU  90   6.978 -10.349   6.035
  717    HB2  LEU  90           2HB      LEU  90   6.666  -8.079   5.127
  718    HB3  LEU  90           1HB      LEU  90   6.872  -8.701   3.490
  719   HD11  LEU  90          1HD1      LEU  90   4.721  -9.436   5.138
  720   HD12  LEU  90          2HD1      LEU  90   4.844 -11.165   5.465
  721   HD13  LEU  90          3HD1      LEU  90   4.959 -10.572   3.809
  722   HD21  LEU  90          3HD2      LEU  90   6.871 -12.237   4.260
  723   HD22  LEU  90          1HD2      LEU  90   8.420 -11.425   4.490
  724   HD23  LEU  90          2HD2      LEU  90   7.399 -11.004   3.115
  725    H    ILE  91           H        ILE  91   8.316  -6.159   4.558
  726    HA   ILE  91           HA       ILE  91   9.704  -5.851   1.945
  727    HB   ILE  91           HB       ILE  91   7.959  -3.971   3.583
  728   HG12  ILE  91          2HG1      ILE  91   7.310  -5.540   1.065
  729   HG13  ILE  91          1HG1      ILE  91   6.811  -6.021   2.686
  730   HG21  ILE  91          1HG2      ILE  91   7.829  -2.704   1.418
  731   HG22  ILE  91          2HG2      ILE  91   9.066  -3.777   0.763
  732   HG23  ILE  91          3HG2      ILE  91   9.448  -2.716   2.119
  733   HD11  ILE  91          3HD1      ILE  91   5.741  -3.702   2.882
  734   HD12  ILE  91          1HD1      ILE  91   4.952  -4.837   1.787
  735   HD13  ILE  91          2HD1      ILE  91   5.983  -3.561   1.141
  736    H    SER  92           H        SER  92  11.816  -6.205   3.104
  737    HA   SER  92           HA       SER  92  12.729  -4.263   5.080
  738    HG   SER  92           HG       SER  92  14.376  -7.346   3.134
  739    HB2  SER  92           2HB      SER  92  14.884  -5.450   4.719
  740    HB3  SER  92           1HB      SER  92  13.554  -6.579   4.944
  741    H    GLN  93           H        GLN  93  15.066  -3.264   4.400
  742    HA   GLN  93           HA       GLN  93  14.499  -1.199   2.463
  743    HB2  GLN  93           2HB      GLN  93  16.375  -1.781   4.518
  744    HB3  GLN  93           1HB      GLN  93  17.308  -1.483   3.051
  745    HG2  GLN  93           2HG      GLN  93  15.806   0.589   2.732
  746    HG3  GLN  93           1HG      GLN  93  15.333   0.349   4.414
  747   HE21  GLN  93          1HE2      GLN  93  18.298   0.699   2.386
  748   HE22  GLN  93          2HE2      GLN  93  19.206   1.473   3.592
  749    H    GLN  94           H        GLN  94  16.889  -3.885   2.409
  750    HA   GLN  94           HA       GLN  94  17.766  -3.441  -0.279
  751    HB2  GLN  94           2HB      GLN  94  18.125  -5.327   1.891
  752    HB3  GLN  94           1HB      GLN  94  18.017  -6.186   0.356
  753    HG2  GLN  94           2HG      GLN  94  20.204  -5.661   0.092
  754    HG3  GLN  94           1HG      GLN  94  19.638  -4.030  -0.268
  755   HE21  GLN  94          1HE2      GLN  94  20.341  -2.392   1.138
  756   HE22  GLN  94          2HE2      GLN  94  21.054  -2.668   2.654
  757    H    GLU  95           H        GLU  95  15.230  -5.616   1.024
  758    HA   GLU  95           HA       GLU  95  14.574  -6.839  -1.499
  759    HB2  GLU  95           2HB      GLU  95  13.996  -7.372   1.041
  760    HB3  GLU  95           1HB      GLU  95  12.554  -6.423   0.676
  761    HG2  GLU  95           2HG      GLU  95  11.833  -8.547   0.069
  762    HG3  GLU  95           1HG      GLU  95  12.466  -7.965  -1.471
  763    H    ALA  96           H        ALA  96  13.327  -3.949   0.178
  764    HA   ALA  96           HA       ALA  96  11.193  -3.405  -1.682
  765    HB1  ALA  96           3HB      ALA  96  11.192  -2.402   0.505
  766    HB2  ALA  96           1HB      ALA  96  11.445  -1.081  -0.634
  767    HB3  ALA  96           2HB      ALA  96  12.809  -1.739   0.268
  768    H    ASN  97           H        ASN  97  14.602  -2.384  -1.494
  769    HA   ASN  97           HA       ASN  97  14.547  -0.557  -3.714
  770    HB2  ASN  97           2HB      ASN  97  16.509  -1.951  -1.993
  771    HB3  ASN  97           1HB      ASN  97  17.116  -1.519  -3.592
  772   HD21  ASN  97          1HD2      ASN  97  17.749   0.643  -3.879
  773   HD22  ASN  97          2HD2      ASN  97  17.388   1.900  -2.797
  774    H    GLN  98           H        GLN  98  15.203  -4.059  -3.475
  775    HA   GLN  98           HA       GLN  98  16.027  -4.495  -6.180
  776    HB2  GLN  98           2HB      GLN  98  14.706  -6.167  -4.028
  777    HB3  GLN  98           1HB      GLN  98  15.096  -6.855  -5.605
  778    HG2  GLN  98           2HG      GLN  98  17.345  -5.353  -4.530
  779    HG3  GLN  98           1HG      GLN  98  16.831  -6.617  -3.414
  780   HE21  GLN  98          1HE2      GLN  98  17.652  -8.680  -3.859
  781   HE22  GLN  98          2HE2      GLN  98  18.261  -9.175  -5.365
  782    H    TRP  99           H        TRP  99  12.798  -4.548  -4.645
  783    HA   TRP  99           HA       TRP  99  11.342  -5.264  -7.034
  784    HD1  TRP  99           HD1      TRP  99   9.304  -6.307  -7.220
  785    HE1  TRP  99           HE1      TRP  99   6.848  -5.809  -7.828
  786    HE3  TRP  99           HE3      TRP  99   8.417  -2.337  -4.135
  787    HZ2  TRP  99           HZ2      TRP  99   4.783  -3.971  -7.101
  788    HZ3  TRP  99           HZ3      TRP  99   6.202  -1.237  -4.112
  789    HH2  TRP  99           HH2      TRP  99   4.384  -2.046  -5.591
  790    HB2  TRP  99           2HB      TRP  99  10.568  -5.440  -4.645
  791    HB3  TRP  99           1HB      TRP  99  10.443  -3.682  -4.604
  792    H    LEU 100           H        LEU 100  12.254  -2.176  -5.540
  793    HA   LEU 100           HA       LEU 100  10.788  -0.471  -7.349
  794    HG   LEU 100           HG       LEU 100  10.797  -0.443  -4.617
  795    HB2  LEU 100           2HB      LEU 100  13.158  -0.129  -5.498
  796    HB3  LEU 100           1HB      LEU 100  12.542   1.212  -6.460
  797   HD11  LEU 100          1HD1      LEU 100  12.630   0.800  -3.411
  798   HD12  LEU 100          2HD1      LEU 100  11.003   1.333  -2.988
  799   HD13  LEU 100          3HD1      LEU 100  11.988   2.295  -4.091
  800   HD21  LEU 100          3HD2      LEU 100  10.457   2.055  -6.270
  801   HD22  LEU 100          1HD2      LEU 100   9.462   1.796  -4.837
  802   HD23  LEU 100          2HD2      LEU 100   9.405   0.643  -6.169
  803    H    SER 101           H        SER 101  14.114  -1.770  -7.377
  804    HA   SER 101           HA       SER 101  14.982  -0.285  -9.701
  805    HG   SER 101           HG       SER 101  16.450  -1.234  -7.022
  806    HB2  SER 101           2HB      SER 101  15.939  -2.818  -8.338
  807    HB3  SER 101           1HB      SER 101  16.806  -2.049  -9.662
  808    H    SER 102           HN       SER 102  13.842  -3.655  -9.262
  809    HA   SER 102           HA       SER 102  12.926  -5.191 -10.788
  810    HG   SER 102           HG       SER 102  11.348  -3.283  -9.982
  811    HB2  SER 102           2HB      SER 102  12.272  -2.512 -12.043
  812    HB3  SER 102           1HB      SER 102  11.675  -4.029 -12.704
  Start of MODEL    5
    1    HA   GLU   1           HA       GLU   1  19.153  15.124  10.906
    2    H1   GLU   1           1H       GLU   1  20.979  14.381  12.413
    3    H2   GLU   1           2H       GLU   1  19.946  14.648  13.737
    4    H3   GLU   1           3H       GLU   1  20.420  15.946  12.749
    5    HB2  GLU   1           2HB      GLU   1  19.448  12.714  12.554
    6    HB3  GLU   1           1HB      GLU   1  17.814  12.904  11.919
    7    HG2  GLU   1           2HG      GLU   1  18.737  13.193   9.642
    8    HG3  GLU   1           1HG      GLU   1  20.366  12.970  10.281
    9    H    ALA   2           H        ALA   2  16.853  15.540  10.746
   10    HA   ALA   2           HA       ALA   2  15.621  16.497  13.308
   11    HB1  ALA   2           3HB      ALA   2  15.446  17.356  10.413
   12    HB2  ALA   2           1HB      ALA   2  15.970  18.307  11.803
   13    HB3  ALA   2           2HB      ALA   2  14.266  17.896  11.607
   14    H    TYR   3           H        TYR   3  14.396  15.471  10.085
   15    HA   TYR   3           HA       TYR   3  12.128  14.096  11.428
   16    HD1  TYR   3           HD1      TYR   3  12.405  17.343   9.676
   17    HD2  TYR   3           HD2      TYR   3   9.476  14.213   9.968
   18    HE1  TYR   3           HE1      TYR   3  10.701  19.002  10.378
   19    HE2  TYR   3           HE2      TYR   3   7.772  15.874  10.669
   20    HH   TYR   3           HH       TYR   3   8.106  18.433  11.916
   21    HB2  TYR   3           2HB      TYR   3  12.808  15.134   8.699
   22    HB3  TYR   3           1HB      TYR   3  11.605  13.852   8.820
   23    H    VAL   4           H        VAL   4  12.376  11.956  11.894
   24    HA   VAL   4           HA       VAL   4  14.382  10.334  10.412
   25    HB   VAL   4           HB       VAL   4  13.909   8.707  12.262
   26   HG11  VAL   4          1HG1      VAL   4  15.702  10.131  12.757
   27   HG12  VAL   4          2HG1      VAL   4  14.636  10.367  14.142
   28   HG13  VAL   4          3HG1      VAL   4  14.673  11.560  12.843
   29   HG21  VAL   4          3HG2      VAL   4  12.244   9.016  13.823
   30   HG22  VAL   4          1HG2      VAL   4  11.483   9.863  12.477
   31   HG23  VAL   4          2HG2      VAL   4  12.332  10.774  13.726
   32    H    GLN   5           H        GLN   5  12.378  10.881   8.675
   33    HA   GLN   5           HA       GLN   5  10.389   8.661   8.781
   34    HB2  GLN   5           2HB      GLN   5  10.708  11.028   6.900
   35    HB3  GLN   5           1HB      GLN   5   9.311   9.957   6.986
   36    HG2  GLN   5           2HG      GLN   5   8.816  10.685   9.249
   37    HG3  GLN   5           1HG      GLN   5  10.298  11.640   9.308
   38   HE21  GLN   5          1HE2      GLN   5  10.385  13.203   7.156
   39   HE22  GLN   5          2HE2      GLN   5   8.957  14.088   6.917
   40    H    GLY   6           H        GLY   6  13.339   8.250   8.121
   41    HA2  GLY   6           2HA      GLY   6  13.673   7.843   5.314
   42    HA3  GLY   6           1HA      GLY   6  14.610   7.035   6.570
   43    H    TRP   7           H        TRP   7  12.810   5.507   7.894
   44    HA   TRP   7           HA       TRP   7  12.337   3.276   6.148
   45    HD1  TRP   7           HD1      TRP   7  14.526   3.730   7.887
   46    HE1  TRP   7           HE1      TRP   7  15.970   1.702   8.559
   47    HE3  TRP   7           HE3      TRP   7  10.863   0.472   9.321
   48    HZ2  TRP   7           HZ2      TRP   7  15.618  -0.949   9.572
   49    HZ3  TRP   7           HZ3      TRP   7  11.445  -1.795  10.134
   50    HH2  TRP   7           HH2      TRP   7  13.815  -2.509  10.262
   51    HB2  TRP   7           2HB      TRP   7  11.683   4.104   8.951
   52    HB3  TRP   7           1HB      TRP   7  10.800   2.734   8.285
   53    H    GLU   8           H        GLU   8  10.137   5.749   7.503
   54    HA   GLU   8           HA       GLU   8   7.704   4.737   6.395
   55    HB2  GLU   8           2HB      GLU   8   8.686   7.498   7.179
   56    HB3  GLU   8           1HB      GLU   8   7.016   7.173   6.727
   57    HG2  GLU   8           2HG      GLU   8   8.356   5.522   8.859
   58    HG3  GLU   8           1HG      GLU   8   7.657   7.092   9.253
   59    H    ALA   9           H        ALA   9  10.166   6.962   5.103
   60    HA   ALA   9           HA       ALA   9   8.806   7.739   2.718
   61    HB1  ALA   9           3HB      ALA   9  11.209   8.181   1.968
   62    HB2  ALA   9           1HB      ALA   9  11.720   7.462   3.495
   63    HB3  ALA   9           2HB      ALA   9  10.746   8.931   3.496
   64    H    VAL  10           H        VAL  10  10.972   4.988   3.423
   65    HA   VAL  10           HA       VAL  10  11.092   3.951   0.748
   66    HB   VAL  10           HB       VAL  10  11.306   2.612   3.471
   67   HG11  VAL  10          1HG1      VAL  10  12.640   0.899   2.226
   68   HG12  VAL  10          2HG1      VAL  10  12.172   1.681   0.716
   69   HG13  VAL  10          3HG1      VAL  10  10.945   0.935   1.740
   70   HG21  VAL  10          3HG2      VAL  10  13.157   3.930   3.577
   71   HG22  VAL  10          1HG2      VAL  10  13.091   4.315   1.858
   72   HG23  VAL  10          2HG2      VAL  10  13.838   2.812   2.398
   73    H    ALA  11           H        ALA  11   8.909   3.287   3.492
   74    HA   ALA  11           HA       ALA  11   7.326   1.276   2.177
   75    HB1  ALA  11           3HB      ALA  11   6.905   1.282   4.437
   76    HB2  ALA  11           1HB      ALA  11   5.652   2.443   3.998
   77    HB3  ALA  11           2HB      ALA  11   7.215   3.012   4.583
   78    H    ALA  12           H        ALA  12   7.067   4.819   2.401
   79    HA   ALA  12           HA       ALA  12   4.552   5.120   1.066
   80    HB1  ALA  12           3HB      ALA  12   5.823   6.820   2.429
   81    HB2  ALA  12           1HB      ALA  12   5.271   7.441   0.874
   82    HB3  ALA  12           2HB      ALA  12   6.957   6.972   1.087
   83    H    ALA  13           H        ALA  13   7.913   5.004  -0.152
   84    HA   ALA  13           HA       ALA  13   7.339   5.573  -2.899
   85    HB1  ALA  13           3HB      ALA  13   9.583   5.637  -1.914
   86    HB2  ALA  13           1HB      ALA  13   9.564   4.461  -3.228
   87    HB3  ALA  13           2HB      ALA  13   9.499   3.913  -1.553
   88    H    VAL  14           H        VAL  14   7.425   2.516  -1.060
   89    HA   VAL  14           HA       VAL  14   6.988   0.748  -3.276
   90    HB   VAL  14           HB       VAL  14   6.271   0.554  -0.327
   91   HG11  VAL  14          1HG1      VAL  14   6.368  -1.919  -0.752
   92   HG12  VAL  14          2HG1      VAL  14   6.468  -1.574  -2.478
   93   HG13  VAL  14          3HG1      VAL  14   5.026  -1.120  -1.571
   94   HG21  VAL  14          3HG2      VAL  14   8.533  -1.013  -1.319
   95   HG22  VAL  14          1HG2      VAL  14   8.452   0.084   0.059
   96   HG23  VAL  14          2HG2      VAL  14   8.771   0.718  -1.555
   97    H    ALA  15           H        ALA  15   4.764   2.455  -1.076
   98    HA   ALA  15           HA       ALA  15   2.316   1.322  -2.030
   99    HB1  ALA  15           3HB      ALA  15   1.479   3.626  -1.101
  100    HB2  ALA  15           1HB      ALA  15   3.163   3.853  -0.633
  101    HB3  ALA  15           2HB      ALA  15   2.244   2.494   0.011
  102    H    SER  16           H        SER  16   4.186   4.184  -3.082
  103    HA   SER  16           HA       SER  16   2.290   5.145  -5.016
  104    HG   SER  16           HG       SER  16   3.804   6.541  -6.675
  105    HB2  SER  16           2HB      SER  16   4.467   6.171  -3.943
  106    HB3  SER  16           1HB      SER  16   5.276   5.406  -5.306
  107    H    LYS  17           H        LYS  17   4.992   2.827  -5.222
  108    HA   LYS  17           HA       LYS  17   4.895   2.431  -8.067
  109    HB2  LYS  17           2HB      LYS  17   6.765   1.827  -6.525
  110    HB3  LYS  17           1HB      LYS  17   5.757   0.554  -5.837
  111    HG2  LYS  17           2HG      LYS  17   5.882  -0.767  -7.732
  112    HG3  LYS  17           1HG      LYS  17   6.114   0.612  -8.807
  113    HD2  LYS  17           2HD      LYS  17   8.319   0.524  -6.983
  114    HD3  LYS  17           1HD      LYS  17   8.110  -1.086  -7.672
  115    HE2  LYS  17           2HE      LYS  17   8.053   1.354  -9.454
  116    HE3  LYS  17           1HE      LYS  17   9.590   0.595  -8.994
  117    HZ1  LYS  17           3HZ      LYS  17   7.265  -0.848 -10.158
  118    HZ2  LYS  17           1HZ      LYS  17   8.772  -1.522  -9.770
  119    HZ3  LYS  17           2HZ      LYS  17   8.650  -0.386 -11.026
  120    H    ILE  18           H        ILE  18   3.109   1.009  -5.356
  121    HA   ILE  18           HA       ILE  18   1.940  -1.222  -6.703
  122    HB   ILE  18           HB       ILE  18   1.365   0.484  -4.301
  123   HG12  ILE  18          2HG1      ILE  18   3.040  -1.412  -4.348
  124   HG13  ILE  18          1HG1      ILE  18   1.793  -1.567  -3.113
  125   HG21  ILE  18          1HG2      ILE  18  -0.572  -1.096  -3.791
  126   HG22  ILE  18          2HG2      ILE  18  -0.530  -1.554  -5.493
  127   HG23  ILE  18          3HG2      ILE  18  -0.884   0.113  -5.037
  128   HD11  ILE  18          3HD1      ILE  18   2.444  -3.511  -4.971
  129   HD12  ILE  18          1HD1      ILE  18   1.016  -2.760  -5.682
  130   HD13  ILE  18          2HD1      ILE  18   0.937  -3.441  -4.058
  131    H    VAL  19           H        VAL  19   0.701   2.111  -6.196
  132    HA   VAL  19           HA       VAL  19  -1.755   1.768  -7.636
  133    HB   VAL  19           HB       VAL  19   0.007   4.139  -6.950
  134   HG11  VAL  19          1HG1      VAL  19  -1.122   5.149  -8.685
  135   HG12  VAL  19          2HG1      VAL  19  -2.364   5.310  -7.443
  136   HG13  VAL  19          3HG1      VAL  19  -2.460   4.002  -8.623
  137   HG21  VAL  19          3HG2      VAL  19  -1.607   4.537  -5.221
  138   HG22  VAL  19          1HG2      VAL  19  -1.254   2.811  -5.165
  139   HG23  VAL  19          2HG2      VAL  19  -2.740   3.382  -5.920
  140    H    GLY  20           H        GLY  20   1.499   2.782  -8.679
  141    HA2  GLY  20           2HA      GLY  20   0.762   3.433 -11.390
  142    HA3  GLY  20           1HA      GLY  20   2.398   3.091 -10.828
  143    H    LEU  21           H        LEU  21   1.649   0.416  -9.769
  144    HA   LEU  21           HA       LEU  21   1.456  -1.025 -12.383
  145    HG   LEU  21           HG       LEU  21   2.628  -2.668 -12.752
  146    HB2  LEU  21           2HB      LEU  21   3.504  -0.986 -10.678
  147    HB3  LEU  21           1HB      LEU  21   2.556  -2.239  -9.879
  148   HD11  LEU  21          1HD1      LEU  21   4.765  -1.711 -12.905
  149   HD12  LEU  21          2HD1      LEU  21   5.128  -3.409 -12.595
  150   HD13  LEU  21          3HD1      LEU  21   5.219  -2.232 -11.283
  151   HD21  LEU  21          3HD2      LEU  21   2.025  -4.477 -11.347
  152   HD22  LEU  21          1HD2      LEU  21   3.376  -4.190 -10.251
  153   HD23  LEU  21          2HD2      LEU  21   3.669  -4.865 -11.853
  154    H    TRP  22           H        TRP  22  -0.918  -0.218 -10.840
  155    HA   TRP  22           HA       TRP  22  -1.851  -2.772  -9.646
  156    HD1  TRP  22           HD1      TRP  22  -3.518  -3.501  -8.251
  157    HE1  TRP  22           HE1      TRP  22  -5.990  -3.700  -7.542
  158    HE3  TRP  22           HE3      TRP  22  -5.078   1.275  -9.155
  159    HZ2  TRP  22           HZ2      TRP  22  -8.319  -2.051  -7.385
  160    HZ3  TRP  22           HZ3      TRP  22  -7.427   1.933  -8.719
  161    HH2  TRP  22           HH2      TRP  22  -9.048   0.277  -7.835
  162    HB2  TRP  22           2HB      TRP  22  -2.109  -0.722  -8.340
  163    HB3  TRP  22           1HB      TRP  22  -2.957   0.053  -9.675
  164    H    ARG  23           H        ARG  23  -3.466  -3.972 -10.586
  165    HA   ARG  23           HA       ARG  23  -4.395  -3.200 -13.307
  166    HE   ARG  23           HE       ARG  23  -4.619  -8.083 -12.888
  167    HB2  ARG  23           2HB      ARG  23  -3.293  -5.457 -12.406
  168    HB3  ARG  23           1HB      ARG  23  -4.950  -5.816 -11.931
  169    HG2  ARG  23           2HG      ARG  23  -4.976  -4.774 -14.605
  170    HG3  ARG  23           1HG      ARG  23  -3.777  -6.063 -14.517
  171    HD2  ARG  23           2HD      ARG  23  -6.524  -6.447 -13.312
  172    HD3  ARG  23           1HD      ARG  23  -6.233  -6.749 -15.035
  173   HH11  ARG  23          2HH1      ARG  23  -7.208  -9.112 -14.438
  174   HH12  ARG  23          1HH1      ARG  23  -6.451 -10.273 -15.476
  175   HH21  ARG  23          1HH2      ARG  23  -3.230  -9.121 -14.854
  176   HH22  ARG  23          2HH2      ARG  23  -4.190 -10.279 -15.711
  177    H    ASN  24           H        ASN  24  -6.804  -4.474 -13.475
  178    HA   ASN  24           HA       ASN  24  -8.785  -2.805 -12.506
  179    HB2  ASN  24           2HB      ASN  24  -8.559  -5.637 -13.351
  180    HB3  ASN  24           1HB      ASN  24 -10.009  -5.257 -12.424
  181   HD21  ASN  24          1HD2      ASN  24 -11.604  -5.115 -14.057
  182   HD22  ASN  24          2HD2      ASN  24 -11.495  -4.082 -15.398
  183    H    GLU  25           H        GLU  25  -7.430  -5.646 -10.818
  184    HA   GLU  25           HA       GLU  25  -8.008  -4.471  -8.200
  185    HB2  GLU  25           2HB      GLU  25  -9.591  -6.250  -7.529
  186    HB3  GLU  25           1HB      GLU  25 -10.210  -5.354  -8.913
  187    HG2  GLU  25           2HG      GLU  25  -9.240  -7.146 -10.406
  188    HG3  GLU  25           1HG      GLU  25  -8.874  -8.074  -8.953
  189    H    LYS  26           H        LYS  26  -5.620  -5.432  -9.540
  190    HA   LYS  26           HA       LYS  26  -4.665  -7.352  -7.506
  191    HB2  LYS  26           2HB      LYS  26  -5.788  -8.619  -9.383
  192    HB3  LYS  26           1HB      LYS  26  -4.558  -7.974 -10.468
  193    HG2  LYS  26           2HG      LYS  26  -2.893  -8.925  -8.641
  194    HG3  LYS  26           1HG      LYS  26  -4.260  -9.962  -8.239
  195    HD2  LYS  26           2HD      LYS  26  -2.982  -9.683 -10.977
  196    HD3  LYS  26           1HD      LYS  26  -2.819 -11.066  -9.896
  197    HE2  LYS  26           2HE      LYS  26  -5.539 -10.117 -10.842
  198    HE3  LYS  26           1HE      LYS  26  -4.580 -11.288 -11.767
  199    HZ1  LYS  26           3HZ      LYS  26  -5.034 -11.623  -8.861
  200    HZ2  LYS  26           1HZ      LYS  26  -4.556 -12.788  -9.997
  201    HZ3  LYS  26           2HZ      LYS  26  -6.152 -12.207  -9.996
  202    H    THR  27           H        THR  27  -2.436  -7.081  -7.167
  203    HA   THR  27           HA       THR  27  -0.794  -5.733  -9.244
  204    HB   THR  27           HB       THR  27  -1.928  -4.028  -7.721
  205    HG1  THR  27           HG1      THR  27   0.057  -3.614  -8.818
  206   HG21  THR  27          3HG2      THR  27   0.036  -5.017  -5.652
  207   HG22  THR  27          1HG2      THR  27  -1.652  -5.527  -5.670
  208   HG23  THR  27          2HG2      THR  27  -1.246  -3.825  -5.448
  209    H    GLU  28           H        GLU  28   1.535  -5.924  -8.749
  210    HA   GLU  28           HA       GLU  28   2.094  -8.360  -7.124
  211    HB2  GLU  28           2HB      GLU  28   3.309  -6.939  -9.461
  212    HB3  GLU  28           1HB      GLU  28   4.371  -7.913  -8.445
  213    HG2  GLU  28           2HG      GLU  28   2.576  -9.765  -8.690
  214    HG3  GLU  28           1HG      GLU  28   1.970  -8.803 -10.039
  215    H    LEU  29           H        LEU  29   3.564  -8.312  -5.413
  216    HA   LEU  29           HA       LEU  29   4.725  -5.645  -4.686
  217    HG   LEU  29           HG       LEU  29   2.430  -5.244  -3.981
  218    HB2  LEU  29           2HB      LEU  29   3.074  -7.626  -3.194
  219    HB3  LEU  29           1HB      LEU  29   4.361  -6.832  -2.292
  220   HD11  LEU  29          1HD1      LEU  29   0.838  -6.109  -2.559
  221   HD12  LEU  29          2HD1      LEU  29   1.467  -4.842  -1.508
  222   HD13  LEU  29          3HD1      LEU  29   2.018  -6.505  -1.310
  223   HD21  LEU  29          3HD2      LEU  29   3.077  -3.603  -2.032
  224   HD22  LEU  29          1HD2      LEU  29   4.225  -3.883  -3.341
  225   HD23  LEU  29          2HD2      LEU  29   4.429  -4.710  -1.797
  226    H    LEU  30           H        LEU  30   6.920  -5.891  -4.941
  227    HA   LEU  30           HA       LEU  30   9.091  -6.790  -4.751
  228    HG   LEU  30           HG       LEU  30  10.577  -8.011  -3.028
  229    HB2  LEU  30           2HB      LEU  30   7.732  -7.163  -2.388
  230    HB3  LEU  30           1HB      LEU  30   8.245  -8.807  -2.763
  231   HD11  LEU  30          1HD1      LEU  30   9.791  -5.386  -1.801
  232   HD12  LEU  30          2HD1      LEU  30   9.642  -5.585  -3.547
  233   HD13  LEU  30          3HD1      LEU  30  11.211  -5.785  -2.768
  234   HD21  LEU  30          3HD2      LEU  30  10.896  -7.352  -0.582
  235   HD22  LEU  30          1HD2      LEU  30  10.007  -8.849  -0.857
  236   HD23  LEU  30          2HD2      LEU  30   9.139  -7.372  -0.442
  237    H    GLY  31           H        GLY  31   7.009  -8.088  -6.568
  238    HA2  GLY  31           2HA      GLY  31   7.487  -9.783  -8.217
  239    HA3  GLY  31           1HA      GLY  31   8.536 -10.586  -7.051
  240    H    HIS  32           H        HIS  32   6.132 -10.074  -5.049
  241    HA   HIS  32           HA       HIS  32   4.902 -12.708  -5.537
  242    HD1  HIS  32           HD1      HIS  32   6.574 -13.746  -4.028
  243    HD2  HIS  32           HD2      HIS  32   6.632 -10.182  -1.870
  244    HE1  HIS  32           HE1      HIS  32   8.844 -13.624  -2.911
  245    HB2  HIS  32           2HB      HIS  32   4.379 -10.678  -3.344
  246    HB3  HIS  32           1HB      HIS  32   4.069 -12.409  -3.286
  247    H    GLU  33           H        GLU  33   2.589 -12.993  -5.730
  248    HA   GLU  33           HA       GLU  33   1.226 -10.821  -7.175
  249    HB2  GLU  33           2HB      GLU  33   0.719 -13.714  -6.502
  250    HB3  GLU  33           1HB      GLU  33  -0.591 -12.721  -7.140
  251    HG2  GLU  33           2HG      GLU  33   0.262 -12.789  -9.229
  252    HG3  GLU  33           1HG      GLU  33   1.864 -12.330  -8.656
  253    H    CYS  34           H        CYS  34  -0.420  -9.540  -6.315
  254    HA   CYS  34           HA       CYS  34  -1.439 -10.212  -3.583
  255    HB2  CYS  34           2HB      CYS  34  -0.220  -7.632  -4.592
  256    HB3  CYS  34           1HB      CYS  34  -1.125  -7.743  -3.085
  257    H    LYS  35           H        LYS  35  -3.336  -8.738  -3.023
  258    HA   LYS  35           HA       LYS  35  -4.983  -8.148  -5.458
  259    HB2  LYS  35           2HB      LYS  35  -5.545 -10.198  -4.065
  260    HB3  LYS  35           1HB      LYS  35  -5.945  -9.100  -2.746
  261    HG2  LYS  35           2HG      LYS  35  -8.033  -9.326  -3.734
  262    HG3  LYS  35           1HG      LYS  35  -7.423  -7.926  -4.614
  263    HD2  LYS  35           2HD      LYS  35  -6.904  -9.201  -6.530
  264    HD3  LYS  35           1HD      LYS  35  -6.937 -10.720  -5.637
  265    HE2  LYS  35           2HE      LYS  35  -8.976 -10.525  -7.007
  266    HE3  LYS  35           1HE      LYS  35  -9.410 -10.409  -5.290
  267    HZ1  LYS  35           3HZ      LYS  35  -8.733  -8.007  -6.885
  268    HZ2  LYS  35           1HZ      LYS  35  -9.565  -8.093  -5.408
  269    HZ3  LYS  35           2HZ      LYS  35 -10.322  -8.616  -6.839
  270    H    PHE  36           H        PHE  36  -4.858  -5.926  -5.546
  271    HA   PHE  36           HA       PHE  36  -5.345  -4.349  -3.048
  272    HD1  PHE  36           HD2      PHE  36  -5.509  -2.344  -2.642
  273    HD2  PHE  36           HD1      PHE  36  -3.069  -1.526  -6.082
  274    HE1  PHE  36           HE2      PHE  36  -5.755   0.087  -2.240
  275    HE2  PHE  36           HE1      PHE  36  -3.313   0.904  -5.675
  276    HZ   PHE  36           HZ       PHE  36  -4.654   1.709  -3.755
  277    HB2  PHE  36           2HB      PHE  36  -3.220  -3.935  -4.168
  278    HB3  PHE  36           1HB      PHE  36  -4.026  -3.744  -5.718
  279    H    THR  37           H        THR  37  -7.277  -3.174  -2.952
  280    HA   THR  37           HA       THR  37  -8.750  -2.671  -5.505
  281    HB   THR  37           HB       THR  37 -10.820  -3.456  -4.210
  282    HG1  THR  37           HG1      THR  37  -9.890  -3.448  -2.147
  283   HG21  THR  37          3HG2      THR  37  -9.349  -4.768  -5.937
  284   HG22  THR  37          1HG2      THR  37 -10.549  -5.640  -4.984
  285   HG23  THR  37          2HG2      THR  37  -8.847  -5.698  -4.525
  286    H    VAL  38           H        VAL  38 -10.269  -0.920  -5.381
  287    HA   VAL  38           HA       VAL  38 -10.283   0.712  -2.891
  288    HB   VAL  38           HB       VAL  38  -8.435   1.336  -4.570
  289   HG11  VAL  38          1HG1      VAL  38 -10.647   2.691  -6.096
  290   HG12  VAL  38          2HG1      VAL  38 -10.158   1.051  -6.517
  291   HG13  VAL  38          3HG1      VAL  38  -8.989   2.367  -6.600
  292   HG21  VAL  38          3HG2      VAL  38  -9.507   3.864  -4.511
  293   HG22  VAL  38          1HG2      VAL  38  -8.657   3.106  -3.166
  294   HG23  VAL  38          2HG2      VAL  38 -10.418   3.058  -3.234
  295    H    LYS  39           H        LYS  39 -12.243   1.874  -2.619
  296    HA   LYS  39           HA       LYS  39 -14.192   1.930  -4.862
  297    HB2  LYS  39           2HB      LYS  39 -14.119  -0.046  -2.823
  298    HB3  LYS  39           1HB      LYS  39 -15.496   0.996  -2.467
  299    HG2  LYS  39           2HG      LYS  39 -16.673   0.108  -4.165
  300    HG3  LYS  39           1HG      LYS  39 -15.377   0.468  -5.304
  301    HD2  LYS  39           2HD      LYS  39 -14.277  -1.641  -4.003
  302    HD3  LYS  39           1HD      LYS  39 -15.986  -2.058  -3.871
  303    HE2  LYS  39           2HE      LYS  39 -16.228  -2.363  -6.148
  304    HE3  LYS  39           1HE      LYS  39 -15.011  -1.133  -6.545
  305    HZ1  LYS  39           3HZ      LYS  39 -14.336  -3.684  -5.184
  306    HZ2  LYS  39           1HZ      LYS  39 -13.268  -2.566  -5.887
  307    HZ3  LYS  39           2HZ      LYS  39 -14.284  -3.507  -6.872
  308    HA   PRO  40           HA       PRO  40 -14.929   5.789  -2.728
  309    HB2  PRO  40           2HB      PRO  40 -16.757   6.769  -4.505
  310    HB3  PRO  40           1HB      PRO  40 -15.014   6.772  -4.819
  311    HG2  PRO  40           2HG      PRO  40 -17.119   4.960  -5.857
  312    HG3  PRO  40           1HG      PRO  40 -15.661   5.568  -6.653
  313    HD2  PRO  40           2HD      PRO  40 -15.929   3.041  -5.583
  314    HD3  PRO  40           1HD      PRO  40 -14.379   3.860  -5.868
  315    H    TYR  41           H        TYR  41 -16.642   6.570  -1.379
  316    HA   TYR  41           HA       TYR  41 -19.209   5.029  -1.444
  317    HD1  TYR  41           HD1      TYR  41 -19.317   3.041  -1.020
  318    HD2  TYR  41           HD2      TYR  41 -15.895   3.926   1.421
  319    HE1  TYR  41           HE1      TYR  41 -18.474   0.736  -1.369
  320    HE2  TYR  41           HE2      TYR  41 -15.057   1.618   1.074
  321    HH   TYR  41           HH       TYR  41 -16.653  -0.824   0.279
  322    HB2  TYR  41           2HB      TYR  41 -17.417   5.639   0.919
  323    HB3  TYR  41           1HB      TYR  41 -19.048   5.009   1.070
  324    H    LEU  42           H        LEU  42 -20.578   6.209   0.502
  325    HA   LEU  42           HA       LEU  42 -20.326   9.157   0.290
  326    HG   LEU  42           HG       LEU  42 -22.226  10.477  -0.247
  327    HB2  LEU  42           2HB      LEU  42 -21.719   7.832  -1.593
  328    HB3  LEU  42           1HB      LEU  42 -22.978   7.967  -0.366
  329   HD11  LEU  42          1HD1      LEU  42 -21.543  11.193  -2.627
  330   HD12  LEU  42          2HD1      LEU  42 -21.086   9.507  -2.873
  331   HD13  LEU  42          3HD1      LEU  42 -20.292  10.463  -1.622
  332   HD21  LEU  42          3HD2      LEU  42 -24.431   9.733  -1.032
  333   HD22  LEU  42          1HD2      LEU  42 -23.753   9.334  -2.611
  334   HD23  LEU  42          2HD2      LEU  42 -23.822  11.014  -2.081
  335    H    LYS  43           H        LYS  43 -21.347  10.227   1.993
  336    HA   LYS  43           HA       LYS  43 -22.590   8.522   4.118
  337    HB2  LYS  43           2HB      LYS  43 -20.339  10.044   4.216
  338    HB3  LYS  43           1HB      LYS  43 -21.538  11.247   4.685
  339    HG2  LYS  43           2HG      LYS  43 -21.047  10.331   6.760
  340    HG3  LYS  43           1HG      LYS  43 -22.389   9.298   6.273
  341    HD2  LYS  43           2HD      LYS  43 -20.771   7.642   5.377
  342    HD3  LYS  43           1HD      LYS  43 -19.444   8.663   5.926
  343    HE2  LYS  43           2HE      LYS  43 -21.020   8.428   8.206
  344    HE3  LYS  43           1HE      LYS  43 -21.113   6.814   7.475
  345    HZ1  LYS  43           3HZ      LYS  43 -19.133   7.010   8.853
  346    HZ2  LYS  43           1HZ      LYS  43 -18.616   8.360   7.966
  347    HZ3  LYS  43           2HZ      LYS  43 -18.700   6.835   7.220
  348    H    ARG  44           H        ARG  44 -24.024  10.128   5.573
  349    HA   ARG  44           HA       ARG  44 -26.421  10.735   4.381
  350    HE   ARG  44           HE       ARG  44 -27.782  10.007   9.345
  351    HB2  ARG  44           2HB      ARG  44 -24.898  11.981   6.658
  352    HB3  ARG  44           1HB      ARG  44 -26.504  12.576   6.239
  353    HG2  ARG  44           2HG      ARG  44 -26.518   9.687   6.296
  354    HG3  ARG  44           1HG      ARG  44 -25.875  10.312   7.815
  355    HD2  ARG  44           2HD      ARG  44 -27.904  11.935   7.783
  356    HD3  ARG  44           1HD      ARG  44 -28.583  10.825   6.576
  357   HH11  ARG  44          2HH1      ARG  44 -30.682  10.218   8.648
  358   HH12  ARG  44          1HH1      ARG  44 -31.080   8.588   8.222
  359   HH21  ARG  44          1HH2      ARG  44 -27.769   7.607   7.821
  360   HH22  ARG  44          2HH2      ARG  44 -29.425   7.103   7.753
  361    H    PHE  45           H        PHE  45 -23.592  12.900   4.452
  362    HA   PHE  45           HA       PHE  45 -24.669  14.386   2.145
  363    HD1  PHE  45           HD1      PHE  45 -24.248  17.440   1.952
  364    HD2  PHE  45           HD2      PHE  45 -27.392  15.470   4.118
  365    HE1  PHE  45           HE1      PHE  45 -25.937  18.694   0.642
  366    HE2  PHE  45           HE2      PHE  45 -29.082  16.725   2.806
  367    HZ   PHE  45           HZ       PHE  45 -28.354  18.338   1.068
  368    HB2  PHE  45           2HB      PHE  45 -25.143  15.203   4.807
  369    HB3  PHE  45           1HB      PHE  45 -23.880  16.275   4.202
  370    H    GLN  46           H        GLN  46 -22.342  12.761   2.300
  371    HA   GLN  46           HA       GLN  46 -20.270  14.732   1.599
  372    HB2  GLN  46           2HB      GLN  46 -20.528  13.729   4.253
  373    HB3  GLN  46           1HB      GLN  46 -19.097  12.976   3.553
  374    HG2  GLN  46           2HG      GLN  46 -19.569  15.937   3.254
  375    HG3  GLN  46           1HG      GLN  46 -18.816  15.287   4.710
  376   HE21  GLN  46          1HE2      GLN  46 -16.611  14.652   4.574
  377   HE22  GLN  46          2HE2      GLN  46 -15.712  14.694   3.134
  378    H    VAL  47           H        VAL  47 -18.243  13.612   0.858
  379    HA   VAL  47           HA       VAL  47 -18.828  10.876  -0.235
  380    HB   VAL  47           HB       VAL  47 -16.999  13.069  -1.284
  381   HG11  VAL  47          1HG1      VAL  47 -17.136  11.650  -3.379
  382   HG12  VAL  47          2HG1      VAL  47 -17.915  10.405  -2.402
  383   HG13  VAL  47          3HG1      VAL  47 -16.262  10.904  -2.042
  384   HG21  VAL  47          3HG2      VAL  47 -18.963  12.877  -3.130
  385   HG22  VAL  47          1HG2      VAL  47 -19.040  14.012  -1.783
  386   HG23  VAL  47          2HG2      VAL  47 -19.892  12.471  -1.687
  387    H    TYR  48           H        TYR  48 -17.347   9.268   0.282
  388    HA   TYR  48           HA       TYR  48 -14.744  10.083   1.503
  389    HD1  TYR  48           HD2      TYR  48 -14.094  10.480   3.775
  390    HD2  TYR  48           HD1      TYR  48 -18.341   9.811   3.721
  391    HE1  TYR  48           HE2      TYR  48 -14.422  12.421   5.281
  392    HE2  TYR  48           HE1      TYR  48 -18.664  11.752   5.227
  393    HH   TYR  48           HH       TYR  48 -16.835  12.966   7.085
  394    HB2  TYR  48           2HB      TYR  48 -16.931   8.312   2.603
  395    HB3  TYR  48           1HB      TYR  48 -15.268   8.161   3.167
  396    H    TYR  49           H        TYR  49 -13.094   8.956   0.570
  397    HA   TYR  49           HA       TYR  49 -13.717   6.642  -1.176
  398    HD1  TYR  49           HD2      TYR  49 -13.579   9.377  -2.725
  399    HD2  TYR  49           HD1      TYR  49 -10.935   6.025  -3.185
  400    HE1  TYR  49           HE2      TYR  49 -14.125   9.277  -5.141
  401    HE2  TYR  49           HE1      TYR  49 -11.475   5.928  -5.601
  402    HH   TYR  49           HH       TYR  49 -12.883   8.373  -7.269
  403    HB2  TYR  49           2HB      TYR  49 -11.795   8.803  -1.025
  404    HB3  TYR  49           1HB      TYR  49 -10.953   7.260  -1.149
  405    H    LYS  50           H        LYS  50 -12.647   4.597  -0.896
  406    HA   LYS  50           HA       LYS  50 -11.063   4.173   1.581
  407    HB2  LYS  50           2HB      LYS  50 -13.396   3.924   2.260
  408    HB3  LYS  50           1HB      LYS  50 -13.695   2.834   0.910
  409    HG2  LYS  50           2HG      LYS  50 -12.355   1.116   1.849
  410    HG3  LYS  50           1HG      LYS  50 -11.588   2.226   2.985
  411    HD2  LYS  50           2HD      LYS  50 -13.135   1.633   4.509
  412    HD3  LYS  50           1HD      LYS  50 -14.350   2.418   3.501
  413    HE2  LYS  50           2HE      LYS  50 -15.275   0.313   3.440
  414    HE3  LYS  50           1HE      LYS  50 -14.053   0.027   2.186
  415    HZ1  LYS  50           3HZ      LYS  50 -13.586  -0.358   5.099
  416    HZ2  LYS  50           1HZ      LYS  50 -12.514  -0.741   3.840
  417    HZ3  LYS  50           2HZ      LYS  50 -13.960  -1.615   4.019
  418    H    GLY  51           H        GLY  51  -9.755   2.282   1.451
  419    HA2  GLY  51           2HA      GLY  51 -10.075   0.506  -0.877
  420    HA3  GLY  51           1HA      GLY  51  -8.586   1.447  -0.828
  421    H    ARG  52           H        ARG  52  -8.596  -1.362  -0.754
  422    HA   ARG  52           HA       ARG  52  -7.185  -1.827   1.797
  423    HE   ARG  52           HE       ARG  52  -9.458  -5.098   4.871
  424    HB2  ARG  52           2HB      ARG  52  -9.831  -2.269   1.815
  425    HB3  ARG  52           1HB      ARG  52  -9.322  -3.801   1.100
  426    HG2  ARG  52           2HG      ARG  52  -7.689  -2.966   3.402
  427    HG3  ARG  52           1HG      ARG  52  -9.379  -3.266   3.802
  428    HD2  ARG  52           2HD      ARG  52  -8.548  -5.358   2.041
  429    HD3  ARG  52           1HD      ARG  52  -7.323  -5.205   3.317
  430   HH11  ARG  52          1HH2      ARG  52 -11.293  -5.864   2.612
  431   HH12  ARG  52          2HH2      ARG  52 -11.405  -7.581   2.807
  432   HH21  ARG  52          2HH1      ARG  52  -8.620  -7.788   4.880
  433   HH22  ARG  52          1HH1      ARG  52  -9.888  -8.676   4.103
  434    H    MET  53           H        MET  53  -5.520  -3.315   1.448
  435    HA   MET  53           HA       MET  53  -5.683  -5.037  -0.986
  436    HB2  MET  53           2HB      MET  53  -3.522  -4.296  -1.701
  437    HB3  MET  53           1HB      MET  53  -4.436  -2.846  -1.310
  438    HG2  MET  53           2HG      MET  53  -2.772  -2.252   0.084
  439    HG3  MET  53           1HG      MET  53  -3.198  -3.626   1.102
  440    HE1  MET  53           3HE      MET  53  -0.007  -3.359  -2.163
  441    HE2  MET  53           1HE      MET  53  -1.236  -2.172  -1.707
  442    HE3  MET  53           2HE      MET  53  -1.686  -3.599  -2.637
  443    H    TRP  54           H        TRP  54  -4.427  -6.956  -0.883
  444    HA   TRP  54           HA       TRP  54  -2.853  -7.602   1.521
  445    HD1  TRP  54           HD1      TRP  54  -5.217 -11.125   0.305
  446    HE1  TRP  54           HE1      TRP  54  -7.305 -11.157  -1.211
  447    HE3  TRP  54           HE3      TRP  54  -6.875  -6.337   0.973
  448    HZ2  TRP  54           HZ2      TRP  54  -9.393  -9.386  -2.034
  449    HZ3  TRP  54           HZ3      TRP  54  -8.911  -5.538  -0.192
  450    HH2  TRP  54           HH2      TRP  54 -10.172  -7.054  -1.691
  451    HB2  TRP  54           2HB      TRP  54  -4.391  -9.455   2.174
  452    HB3  TRP  54           1HB      TRP  54  -5.174  -7.882   2.294
  453    H    CYS  55           H        CYS  55  -1.680  -9.633   1.245
  454    HA   CYS  55           HA       CYS  55  -1.676 -10.600  -1.589
  455    HB2  CYS  55           2HB      CYS  55   0.488 -10.602   0.529
  456    HB3  CYS  55           1HB      CYS  55   0.693 -11.134  -1.135
  457    HA   PRO  56           HA       PRO  56  -3.090 -14.225   0.815
  458    HB2  PRO  56           2HB      PRO  56  -4.755 -15.198  -1.128
  459    HB3  PRO  56           1HB      PRO  56  -5.250 -13.950   0.032
  460    HG2  PRO  56           2HG      PRO  56  -4.466 -13.683  -2.813
  461    HG3  PRO  56           1HG      PRO  56  -5.651 -12.764  -1.874
  462    HD2  PRO  56           2HD      PRO  56  -3.117 -11.880  -2.518
  463    HD3  PRO  56           1HD      PRO  56  -4.103 -11.247  -1.196
  464    H    GLY  57           H        GLY  57  -0.960 -15.158   0.593
  465    HA2  GLY  57           2HA      GLY  57  -0.527 -17.506  -0.653
  466    HA3  GLY  57           1HA      GLY  57  -0.217 -16.388  -1.980
  467    H    TRP  58           H        TRP  58   1.107 -14.314  -0.743
  468    HA   TRP  58           HA       TRP  58   3.748 -15.455  -0.308
  469    HD1  TRP  58           HD1      TRP  58   5.867 -14.765  -0.435
  470    HE1  TRP  58           HE1      TRP  58   7.864 -13.384   0.434
  471    HE3  TRP  58           HE3      TRP  58   3.504 -10.363   0.619
  472    HZ2  TRP  58           HZ2      TRP  58   8.388 -10.758   1.437
  473    HZ3  TRP  58           HZ3      TRP  58   4.774  -8.440   1.527
  474    HH2  TRP  58           HH2      TRP  58   7.212  -8.631   1.938
  475    HB2  TRP  58           2HB      TRP  58   3.306 -13.340  -1.513
  476    HB3  TRP  58           1HB      TRP  58   2.670 -12.628  -0.039
  477    H    THR  59           H        THR  59   1.585 -13.459   1.740
  478    HA   THR  59           HA       THR  59   2.623 -14.862   4.144
  479    HB   THR  59           HB       THR  59   4.063 -12.885   3.734
  480    HG1  THR  59           HG1      THR  59   3.946 -13.049   5.834
  481   HG21  THR  59          3HG2      THR  59   2.397 -11.562   2.461
  482   HG22  THR  59          1HG2      THR  59   3.098 -10.628   3.783
  483   HG23  THR  59          2HG2      THR  59   1.479 -11.308   3.946
  484    H    ALA  60           H        ALA  60   1.364 -13.460   6.090
  485    HA   ALA  60           HA       ALA  60  -1.531 -13.521   5.310
  486    HB1  ALA  60           3HB      ALA  60  -1.824 -14.261   7.717
  487    HB2  ALA  60           1HB      ALA  60  -0.067 -14.337   7.840
  488    HB3  ALA  60           2HB      ALA  60  -0.918 -15.397   6.716
  489    H    ILE  61           H        ILE  61  -0.566 -11.106   4.887
  490    HA   ILE  61           HA       ILE  61  -1.216  -9.517   7.345
  491    HB   ILE  61           HB       ILE  61   0.942  -9.172   5.241
  492   HG12  ILE  61          2HG1      ILE  61   1.085  -9.244   8.272
  493   HG13  ILE  61          1HG1      ILE  61   1.356 -10.649   7.242
  494   HG21  ILE  61          1HG2      ILE  61   0.007  -7.196   7.347
  495   HG22  ILE  61          2HG2      ILE  61  -0.059  -6.974   5.599
  496   HG23  ILE  61          3HG2      ILE  61   1.499  -7.038   6.421
  497   HD11  ILE  61          3HD1      ILE  61   2.909  -8.086   6.858
  498   HD12  ILE  61          1HD1      ILE  61   3.303  -9.703   6.273
  499   HD13  ILE  61          2HD1      ILE  61   3.440  -9.328   7.991
  500    H    ARG  62           H        ARG  62  -2.285  -7.468   6.891
  501    HA   ARG  62           HA       ARG  62  -3.326  -7.136   4.114
  502    HE   ARG  62           HE       ARG  62  -6.451  -5.379   6.814
  503    HB2  ARG  62           2HB      ARG  62  -5.548  -6.573   5.345
  504    HB3  ARG  62           1HB      ARG  62  -5.105  -8.263   5.156
  505    HG2  ARG  62           2HG      ARG  62  -4.493  -8.489   7.409
  506    HG3  ARG  62           1HG      ARG  62  -4.239  -6.755   7.613
  507    HD2  ARG  62           2HD      ARG  62  -6.987  -7.872   7.009
  508    HD3  ARG  62           1HD      ARG  62  -6.382  -7.733   8.672
  509   HH11  ARG  62          2HH1      ARG  62  -8.843  -5.942   8.601
  510   HH12  ARG  62          1HH1      ARG  62  -8.501  -4.925   9.960
  511   HH21  ARG  62          1HH2      ARG  62  -5.158  -4.474   9.112
  512   HH22  ARG  62          2HH2      ARG  62  -6.404  -4.092  10.253
  513    H    GLY  63           H        GLY  63  -4.170  -4.955   3.724
  514    HA2  GLY  63           2HA      GLY  63  -3.332  -2.900   5.709
  515    HA3  GLY  63           1HA      GLY  63  -2.710  -2.783   4.065
  516    H    GLU  64           H        GLU  64  -4.775  -1.212   5.813
  517    HA   GLU  64           HA       GLU  64  -6.766  -0.915   3.605
  518    HB2  GLU  64           2HB      GLU  64  -7.714  -0.555   6.401
  519    HB3  GLU  64           1HB      GLU  64  -8.537  -1.269   5.022
  520    HG2  GLU  64           2HG      GLU  64  -7.082  -3.294   5.256
  521    HG3  GLU  64           1HG      GLU  64  -6.397  -2.586   6.717
  522    H    ALA  65           H        ALA  65  -7.625   1.236   3.420
  523    HA   ALA  65           HA       ALA  65  -6.792   3.344   5.286
  524    HB1  ALA  65           3HB      ALA  65  -4.726   3.317   4.216
  525    HB2  ALA  65           1HB      ALA  65  -5.595   4.460   3.193
  526    HB3  ALA  65           2HB      ALA  65  -5.416   2.783   2.684
  527    H    SER  66           H        SER  66  -8.245   5.034   5.138
  528    HA   SER  66           HA       SER  66  -9.821   5.341   2.616
  529    HG   SER  66           HG       SER  66 -10.749   3.570   5.652
  530    HB2  SER  66           2HB      SER  66 -11.121   5.593   5.308
  531    HB3  SER  66           1HB      SER  66 -11.854   5.190   3.762
  532    H    THR  67           H        THR  67 -10.331   7.473   2.119
  533    HA   THR  67           HA       THR  67 -10.176   9.649   4.047
  534    HB   THR  67           HB       THR  67  -7.792   9.162   3.772
  535    HG1  THR  67           HG1      THR  67  -7.166  11.205   2.872
  536   HG21  THR  67          3HG2      THR  67  -6.702   9.242   1.590
  537   HG22  THR  67          1HG2      THR  67  -8.242   9.601   0.808
  538   HG23  THR  67          2HG2      THR  67  -7.983   8.030   1.565
  539    H    ARG  68           H        ARG  68 -10.164  11.841   2.692
  540    HA   ARG  68           HA       ARG  68 -12.407  11.734   0.861
  541    HE   ARG  68           HE       ARG  68 -11.435  15.546   4.555
  542    HB2  ARG  68           2HB      ARG  68 -10.505  13.785   1.951
  543    HB3  ARG  68           1HB      ARG  68 -11.530  14.227   0.587
  544    HG2  ARG  68           2HG      ARG  68 -13.034  14.747   2.223
  545    HG3  ARG  68           1HG      ARG  68 -13.365  13.016   2.182
  546    HD2  ARG  68           2HD      ARG  68 -12.783  12.954   4.376
  547    HD3  ARG  68           1HD      ARG  68 -11.119  13.300   3.872
  548   HH11  ARG  68          1HH2      ARG  68 -13.684  14.289   6.290
  549   HH12  ARG  68          2HH2      ARG  68 -14.968  15.410   5.988
  550   HH21  ARG  68          2HH1      ARG  68 -13.412  16.845   3.228
  551   HH22  ARG  68          1HH1      ARG  68 -14.814  16.864   4.245
  552    H    SER  69           H        SER  69  -8.893  11.908   0.429
  553    HA   SER  69           HA       SER  69  -8.833  12.685  -2.323
  554    HG   SER  69           HG       SER  69  -6.726  12.520   0.441
  555    HB2  SER  69           2HB      SER  69  -6.642  10.987  -1.822
  556    HB3  SER  69           1HB      SER  69  -6.676  12.736  -1.659
  557    H    GLN  70           H        GLN  70  -8.876  11.467  -4.220
  558    HA   GLN  70           HA       GLN  70 -10.204   8.858  -4.131
  559    HB2  GLN  70           2HB      GLN  70  -9.098  10.576  -6.380
  560    HB3  GLN  70           1HB      GLN  70 -10.110   9.150  -6.613
  561    HG2  GLN  70           2HG      GLN  70 -11.795  10.329  -5.041
  562    HG3  GLN  70           1HG      GLN  70 -10.855  11.789  -5.352
  563   HE21  GLN  70          1HE2      GLN  70 -11.096  12.809  -7.413
  564   HE22  GLN  70          2HE2      GLN  70 -12.144  12.228  -8.615
  565    H    SER  71           H        SER  71  -7.058  10.044  -5.404
  566    HA   SER  71           HA       SER  71  -6.086   7.287  -5.770
  567    HG   SER  71           HG       SER  71  -4.580   8.492  -8.292
  568    HB2  SER  71           2HB      SER  71  -5.225  10.073  -6.410
  569    HB3  SER  71           1HB      SER  71  -3.963   8.849  -6.293
  570    H    GLY  72           H        GLY  72  -5.737   9.948  -3.482
  571    HA2  GLY  72           2HA      GLY  72  -3.387   9.098  -2.121
  572    HA3  GLY  72           1HA      GLY  72  -4.673  10.066  -1.398
  573    H    VAL  73           H        VAL  73  -6.803   8.153  -1.701
  574    HA   VAL  73           HA       VAL  73  -6.467   6.581   0.668
  575    HB   VAL  73           HB       VAL  73  -8.588   7.418  -0.572
  576   HG11  VAL  73          1HG1      VAL  73  -8.361   4.735  -1.941
  577   HG12  VAL  73          2HG1      VAL  73  -7.892   6.243  -2.725
  578   HG13  VAL  73          3HG1      VAL  73  -9.559   5.998  -2.214
  579   HG21  VAL  73          3HG2      VAL  73  -8.388   5.789   1.435
  580   HG22  VAL  73          1HG2      VAL  73  -8.736   4.524   0.256
  581   HG23  VAL  73          2HG2      VAL  73  -9.907   5.811   0.540
  582    H    ALA  74           H        ALA  74  -6.043   5.792  -2.765
  583    HA   ALA  74           HA       ALA  74  -5.654   2.954  -2.421
  584    HB1  ALA  74           3HB      ALA  74  -4.487   3.365  -4.727
  585    HB2  ALA  74           1HB      ALA  74  -5.039   5.028  -4.523
  586    HB3  ALA  74           2HB      ALA  74  -6.211   3.712  -4.587
  587    H    GLY  75           H        GLY  75  -3.392   5.710  -2.684
  588    HA2  GLY  75           2HA      GLY  75  -0.987   4.189  -2.487
  589    HA3  GLY  75           1HA      GLY  75  -1.134   5.900  -2.086
  590    H    LYS  76           H        LYS  76  -3.163   5.532  -0.025
  591    HA   LYS  76           HA       LYS  76  -1.455   4.989   2.237
  592    HB2  LYS  76           2HB      LYS  76  -4.367   5.576   1.748
  593    HB3  LYS  76           1HB      LYS  76  -3.827   5.126   3.366
  594    HG2  LYS  76           2HG      LYS  76  -2.040   7.097   2.221
  595    HG3  LYS  76           1HG      LYS  76  -3.703   7.684   2.196
  596    HD2  LYS  76           2HD      LYS  76  -3.875   6.958   4.629
  597    HD3  LYS  76           1HD      LYS  76  -2.127   6.711   4.592
  598    HE2  LYS  76           2HE      LYS  76  -1.745   9.055   4.051
  599    HE3  LYS  76           1HE      LYS  76  -3.488   9.337   3.882
  600    HZ1  LYS  76           3HZ      LYS  76  -3.712   8.496   6.213
  601    HZ2  LYS  76           1HZ      LYS  76  -2.897   9.978   6.077
  602    HZ3  LYS  76           2HZ      LYS  76  -2.017   8.549   6.341
  603    H    THR  77           H        THR  77  -4.022   3.139   0.582
  604    HA   THR  77           HA       THR  77  -4.225   0.966   2.418
  605    HB   THR  77           HB       THR  77  -4.646   1.338  -0.556
  606    HG1  THR  77           HG1      THR  77  -6.263   2.243   0.535
  607   HG21  THR  77          3HG2      THR  77  -4.955  -1.172   1.088
  608   HG22  THR  77          1HG2      THR  77  -4.155  -0.973  -0.471
  609   HG23  THR  77          2HG2      THR  77  -5.913  -0.898  -0.367
  610    H    ALA  78           H        ALA  78  -2.115   1.435  -0.429
  611    HA   ALA  78           HA       ALA  78  -0.743  -1.097  -0.161
  612    HB1  ALA  78           3HB      ALA  78   0.748  -0.098  -1.837
  613    HB2  ALA  78           1HB      ALA  78   0.113   1.506  -1.472
  614    HB3  ALA  78           2HB      ALA  78  -0.924   0.297  -2.230
  615    H    LYS  79           H        LYS  79  -0.144   2.188   1.048
  616    HA   LYS  79           HA       LYS  79   2.495   1.709   2.099
  617    HB2  LYS  79           2HB      LYS  79   1.207   3.903   1.622
  618    HB3  LYS  79           1HB      LYS  79   0.440   3.643   3.189
  619    HG2  LYS  79           2HG      LYS  79   3.016   3.269   3.901
  620    HG3  LYS  79           1HG      LYS  79   3.252   4.385   2.557
  621    HD2  LYS  79           2HD      LYS  79   1.084   5.081   4.467
  622    HD3  LYS  79           1HD      LYS  79   2.732   5.211   5.081
  623    HE2  LYS  79           2HE      LYS  79   3.194   7.031   3.781
  624    HE3  LYS  79           1HE      LYS  79   2.360   6.345   2.373
  625    HZ1  LYS  79           3HZ      LYS  79   1.191   8.283   3.353
  626    HZ2  LYS  79           1HZ      LYS  79   0.975   7.398   4.784
  627    HZ3  LYS  79           2HZ      LYS  79   0.251   6.867   3.340
  628    H    ASP  80           H        ASP  80  -0.780   1.431   3.497
  629    HA   ASP  80           HA       ASP  80   0.018   0.858   6.186
  630    HB2  ASP  80           2HB      ASP  80  -2.382   0.692   4.477
  631    HB3  ASP  80           1HB      ASP  80  -2.365  -0.479   5.795
  632    H    PHE  81           H        PHE  81  -0.563  -1.279   3.376
  633    HA   PHE  81           HA       PHE  81  -0.123  -3.746   4.835
  634    HD1  PHE  81           HD2      PHE  81   2.148  -4.510   1.736
  635    HD2  PHE  81           HD1      PHE  81  -1.671  -5.941   3.087
  636    HE1  PHE  81           HE2      PHE  81   2.882  -6.846   1.339
  637    HE2  PHE  81           HE1      PHE  81  -0.935  -8.274   2.686
  638    HZ   PHE  81           HZ       PHE  81   1.339  -8.726   1.814
  639    HB2  PHE  81           2HB      PHE  81  -1.337  -3.607   2.697
  640    HB3  PHE  81           1HB      PHE  81   0.115  -3.013   1.893
  641    H    VAL  82           H        VAL  82   1.968  -1.604   2.891
  642    HA   VAL  82           HA       VAL  82   4.340  -3.228   3.037
  643    HB   VAL  82           HB       VAL  82   3.787  -0.276   2.602
  644   HG11  VAL  82          1HG1      VAL  82   6.403  -1.797   2.524
  645   HG12  VAL  82          2HG1      VAL  82   6.035  -0.318   3.412
  646   HG13  VAL  82          3HG1      VAL  82   6.167  -0.282   1.653
  647   HG21  VAL  82          3HG2      VAL  82   3.150  -2.239   0.956
  648   HG22  VAL  82          1HG2      VAL  82   4.873  -2.212   0.577
  649   HG23  VAL  82          2HG2      VAL  82   3.893  -0.769   0.323
  650    H    ARG  83           H        ARG  83   3.017  -0.646   5.113
  651    HA   ARG  83           HA       ARG  83   5.290  -0.425   6.871
  652    HE   ARG  83           HE       ARG  83   3.347   2.397  10.870
  653    HB2  ARG  83           2HB      ARG  83   3.123   1.032   6.467
  654    HB3  ARG  83           1HB      ARG  83   2.436   0.009   7.728
  655    HG2  ARG  83           2HG      ARG  83   5.123   1.277   8.169
  656    HG3  ARG  83           1HG      ARG  83   3.665   2.248   8.378
  657    HD2  ARG  83           2HD      ARG  83   2.831   0.234   9.839
  658    HD3  ARG  83           1HD      ARG  83   4.556  -0.169   9.938
  659   HH11  ARG  83          2HH1      ARG  83   4.603   0.572  12.840
  660   HH12  ARG  83          1HH1      ARG  83   6.203   1.215  12.996
  661   HH21  ARG  83          1HH2      ARG  83   6.014   3.086  10.065
  662   HH22  ARG  83          2HH2      ARG  83   7.003   2.650  11.420
  663    H    LYS  84           H        LYS  84   2.358  -2.466   6.919
  664    HA   LYS  84           HA       LYS  84   2.798  -3.648   9.508
  665    HB2  LYS  84           2HB      LYS  84   1.076  -3.964   7.158
  666    HB3  LYS  84           1HB      LYS  84   1.450  -5.510   7.919
  667    HG2  LYS  84           2HG      LYS  84   0.898  -3.615   9.991
  668    HG3  LYS  84           1HG      LYS  84  -0.397  -3.517   8.798
  669    HD2  LYS  84           2HD      LYS  84  -1.017  -5.752   9.084
  670    HD3  LYS  84           1HD      LYS  84   0.563  -6.211   9.719
  671    HE2  LYS  84           2HE      LYS  84  -0.497  -4.227  11.479
  672    HE3  LYS  84           1HE      LYS  84  -1.769  -5.432  11.202
  673    HZ1  LYS  84           3HZ      LYS  84   1.045  -5.972  12.002
  674    HZ2  LYS  84           1HZ      LYS  84  -0.076  -7.175  11.575
  675    HZ3  LYS  84           2HZ      LYS  84  -0.345  -6.214  12.951
  676    H    ALA  85           H        ALA  85   3.825  -4.561   6.220
  677    HA   ALA  85           HA       ALA  85   5.063  -7.069   6.973
  678    HB1  ALA  85           3HB      ALA  85   4.598  -6.905   4.701
  679    HB2  ALA  85           1HB      ALA  85   6.293  -6.416   4.687
  680    HB3  ALA  85           2HB      ALA  85   5.022  -5.194   4.635
  681    H    PHE  86           H        PHE  86   6.176  -3.707   6.723
  682    HA   PHE  86           HA       PHE  86   8.989  -4.148   7.033
  683    HD1  PHE  86           HD1      PHE  86  10.717  -1.931   7.818
  684    HD2  PHE  86           HD2      PHE  86   7.749  -1.527   4.737
  685    HE1  PHE  86           HE1      PHE  86  12.465  -1.177   6.231
  686    HE2  PHE  86           HE2      PHE  86   9.500  -0.775   3.151
  687    HZ   PHE  86           HZ       PHE  86  11.858  -0.600   3.899
  688    HB2  PHE  86           2HB      PHE  86   7.079  -1.987   6.951
  689    HB3  PHE  86           1HB      PHE  86   8.186  -1.713   8.293
  690    H    GLN  87           H        GLN  87   6.374  -3.621   9.418
  691    HA   GLN  87           HA       GLN  87   8.065  -3.629  11.755
  692    HB2  GLN  87           2HB      GLN  87   5.215  -3.655  11.026
  693    HB3  GLN  87           1HB      GLN  87   5.550  -4.509  12.531
  694    HG2  GLN  87           2HG      GLN  87   6.822  -1.832  12.089
  695    HG3  GLN  87           1HG      GLN  87   5.118  -1.897  12.540
  696   HE21  GLN  87          1HE2      GLN  87   8.366  -2.234  13.744
  697   HE22  GLN  87          2HE2      GLN  87   7.952  -2.676  15.329
  698    H    LYS  88           H        LYS  88   6.343  -6.199   9.985
  699    HA   LYS  88           HA       LYS  88   6.897  -8.293  11.919
  700    HB2  LYS  88           2HB      LYS  88   5.890  -8.067   9.096
  701    HB3  LYS  88           1HB      LYS  88   6.307  -9.658   9.732
  702    HG2  LYS  88           2HG      LYS  88   4.796  -8.323  11.741
  703    HG3  LYS  88           1HG      LYS  88   3.936  -8.114  10.215
  704    HD2  LYS  88           2HD      LYS  88   3.730 -10.438   9.870
  705    HD3  LYS  88           1HD      LYS  88   5.016 -10.813  11.017
  706    HE2  LYS  88           2HE      LYS  88   3.144 -11.311  12.319
  707    HE3  LYS  88           1HE      LYS  88   3.350  -9.597  12.725
  708    HZ1  LYS  88           3HZ      LYS  88   1.144  -9.723  12.034
  709    HZ2  LYS  88           1HZ      LYS  88   1.484 -10.822  10.788
  710    HZ3  LYS  88           2HZ      LYS  88   1.946  -9.194  10.632
  711    H    GLY  89           H        GLY  89   8.230  -7.659   8.651
  712    HA2  GLY  89           2HA      GLY  89  10.819  -7.663   8.674
  713    HA3  GLY  89           1HA      GLY  89  10.621  -9.258   9.395
  714    H    LEU  90           H        LEU  90   9.009  -7.611   6.650
  715    HA   LEU  90           HA       LEU  90   9.720  -9.980   4.960
  716    HG   LEU  90           HG       LEU  90   7.451 -10.756   6.319
  717    HB2  LEU  90           2HB      LEU  90   7.193  -8.486   5.473
  718    HB3  LEU  90           1HB      LEU  90   7.462  -9.035   3.821
  719   HD11  LEU  90          1HD1      LEU  90   5.700 -11.051   3.885
  720   HD12  LEU  90          2HD1      LEU  90   5.267  -9.921   5.167
  721   HD13  LEU  90          3HD1      LEU  90   5.424 -11.640   5.523
  722   HD21  LEU  90          3HD2      LEU  90   8.333 -11.276   3.491
  723   HD22  LEU  90          1HD2      LEU  90   7.567 -12.576   4.403
  724   HD23  LEU  90          2HD2      LEU  90   9.050 -11.835   5.002
  725    H    ILE  91           H        ILE  91   8.785  -6.517   4.798
  726    HA   ILE  91           HA       ILE  91  10.217  -6.270   2.209
  727    HB   ILE  91           HB       ILE  91   8.388  -4.430   3.792
  728   HG12  ILE  91          2HG1      ILE  91   7.900  -5.826   1.145
  729   HG13  ILE  91          1HG1      ILE  91   7.418  -6.519   2.694
  730   HG21  ILE  91          1HG2      ILE  91   9.533  -4.088   1.000
  731   HG22  ILE  91          2HG2      ILE  91  10.024  -3.163   2.420
  732   HG23  ILE  91          3HG2      ILE  91   8.385  -3.004   1.788
  733   HD11  ILE  91          3HD1      ILE  91   5.480  -5.378   2.008
  734   HD12  ILE  91          1HD1      ILE  91   6.398  -4.024   1.350
  735   HD13  ILE  91          2HD1      ILE  91   6.252  -4.224   3.096
  736    H    SER  92           H        SER  92  12.414  -6.112   2.709
  737    HA   SER  92           HA       SER  92  13.402  -4.566   4.983
  738    HG   SER  92           HG       SER  92  15.119  -7.467   4.064
  739    HB2  SER  92           2HB      SER  92  14.637  -5.954   2.594
  740    HB3  SER  92           1HB      SER  92  15.612  -5.086   3.775
  741    H    GLN  93           H        GLN  93  15.181  -2.855   4.450
  742    HA   GLN  93           HA       GLN  93  13.961  -0.684   2.974
  743    HB2  GLN  93           2HB      GLN  93  16.687  -1.138   4.230
  744    HB3  GLN  93           1HB      GLN  93  16.185   0.408   3.545
  745    HG2  GLN  93           2HG      GLN  93  15.301   0.874   5.573
  746    HG3  GLN  93           1HG      GLN  93  14.047  -0.302   5.182
  747   HE21  GLN  93          1HE2      GLN  93  14.053  -2.303   6.342
  748   HE22  GLN  93          2HE2      GLN  93  15.212  -2.690   7.519
  749    H    GLN  94           H        GLN  94  16.975  -2.567   2.425
  750    HA   GLN  94           HA       GLN  94  17.529  -1.439  -0.156
  751    HB2  GLN  94           2HB      GLN  94  19.197  -3.189  -0.265
  752    HB3  GLN  94           1HB      GLN  94  19.102  -2.654   1.410
  753    HG2  GLN  94           2HG      GLN  94  18.889  -4.866   1.887
  754    HG3  GLN  94           1HG      GLN  94  17.218  -4.654   1.371
  755   HE21  GLN  94          1HE2      GLN  94  18.384  -7.191   1.041
  756   HE22  GLN  94          2HE2      GLN  94  18.663  -7.481  -0.607
  757    H    GLU  95           H        GLU  95  15.473  -4.128   0.862
  758    HA   GLU  95           HA       GLU  95  15.157  -5.349  -1.733
  759    HB2  GLU  95           2HB      GLU  95  14.151  -5.586   0.973
  760    HB3  GLU  95           1HB      GLU  95  12.825  -5.733  -0.179
  761    HG2  GLU  95           2HG      GLU  95  15.387  -7.222  -0.673
  762    HG3  GLU  95           1HG      GLU  95  14.210  -7.867   0.470
  763    H    ALA  96           H        ALA  96  13.279  -2.890   0.054
  764    HA   ALA  96           HA       ALA  96  11.197  -2.529  -1.876
  765    HB1  ALA  96           3HB      ALA  96  12.502  -0.797   0.237
  766    HB2  ALA  96           1HB      ALA  96  10.949  -1.629   0.323
  767    HB3  ALA  96           2HB      ALA  96  11.137  -0.217  -0.717
  768    H    ASN  97           H        ASN  97  14.402  -1.017  -1.502
  769    HA   ASN  97           HA       ASN  97  14.206   0.892  -3.625
  770    HB2  ASN  97           2HB      ASN  97  16.321  -0.467  -2.015
  771    HB3  ASN  97           1HB      ASN  97  16.844   0.315  -3.507
  772   HD21  ASN  97          1HD2      ASN  97  16.420   2.674  -3.714
  773   HD22  ASN  97          2HD2      ASN  97  16.178   3.617  -2.324
  774    H    GLN  98           H        GLN  98  15.232  -2.528  -3.573
  775    HA   GLN  98           HA       GLN  98  16.118  -2.675  -6.305
  776    HB2  GLN  98           2HB      GLN  98  16.031  -4.309  -4.066
  777    HB3  GLN  98           1HB      GLN  98  14.872  -5.083  -5.146
  778    HG2  GLN  98           2HG      GLN  98  16.705  -6.072  -6.055
  779    HG3  GLN  98           1HG      GLN  98  16.930  -4.526  -6.873
  780   HE21  GLN  98          1HE2      GLN  98  18.824  -3.358  -6.369
  781   HE22  GLN  98          2HE2      GLN  98  19.884  -3.765  -5.108
  782    H    TRP  99           H        TRP  99  12.945  -3.224  -4.764
  783    HA   TRP  99           HA       TRP  99  11.597  -4.068  -7.188
  784    HD1  TRP  99           HD1      TRP  99   9.800  -5.713  -7.155
  785    HE1  TRP  99           HE1      TRP  99   7.309  -5.658  -7.821
  786    HE3  TRP  99           HE3      TRP  99   8.261  -1.645  -4.478
  787    HZ2  TRP  99           HZ2      TRP  99   4.977  -4.092  -7.285
  788    HZ3  TRP  99           HZ3      TRP  99   5.905  -0.903  -4.569
  789    HH2  TRP  99           HH2      TRP  99   4.260  -2.115  -5.972
  790    HB2  TRP  99           2HB      TRP  99  10.929  -4.468  -4.770
  791    HB3  TRP  99           1HB      TRP  99  10.445  -2.776  -4.698
  792    H    LEU 100           H        LEU 100  12.088  -0.960  -5.559
  793    HA   LEU 100           HA       LEU 100  10.302   0.576  -7.242
  794    HG   LEU 100           HG       LEU 100  10.628   2.413  -4.181
  795    HB2  LEU 100           2HB      LEU 100  12.366   1.061  -5.153
  796    HB3  LEU 100           1HB      LEU 100  12.069   2.395  -6.259
  797   HD11  LEU 100          1HD1      LEU 100   9.187   3.613  -5.421
  798   HD12  LEU 100          2HD1      LEU 100   8.558   2.157  -6.188
  799   HD13  LEU 100          3HD1      LEU 100   9.972   2.968  -6.862
  800   HD21  LEU 100          3HD2      LEU 100   8.642   0.836  -4.282
  801   HD22  LEU 100          1HD2      LEU 100  10.178   0.066  -3.887
  802   HD23  LEU 100          2HD2      LEU 100   9.515  -0.071  -5.515
  803    H    SER 101           H        SER 101  13.765  -0.248  -7.454
  804    HA   SER 101           HA       SER 101  14.392   1.606  -9.575
  805    HG   SER 101           HG       SER 101  16.008  -1.725  -9.751
  806    HB2  SER 101           2HB      SER 101  16.456   0.348  -9.681
  807    HB3  SER 101           1HB      SER 101  15.977   0.441  -7.992
  808    H    SER 102           HN       SER 102  13.452  -1.833  -9.560
  809    HA   SER 102           HA       SER 102  13.567  -2.114 -12.459
  810    HG   SER 102           HG       SER 102  12.174  -4.310 -12.834
  811    HB2  SER 102           2HB      SER 102  13.785  -3.869 -10.546
  812    HB3  SER 102           1HB      SER 102  12.024  -3.863 -10.542
  Start of MODEL    6
    1    HA   GLU   1           HA       GLU   1  23.086   5.116  17.697
    2    H1   GLU   1           1H       GLU   1  20.979   4.167  17.069
    3    H2   GLU   1           2H       GLU   1  20.908   5.119  15.662
    4    H3   GLU   1           3H       GLU   1  20.789   5.848  17.193
    5    HB2  GLU   1           2HB      GLU   1  22.565   3.926  15.003
    6    HB3  GLU   1           1HB      GLU   1  24.207   4.474  15.341
    7    HG2  GLU   1           2HG      GLU   1  22.719   2.732  17.305
    8    HG3  GLU   1           1HG      GLU   1  23.603   2.026  15.951
    9    H    ALA   2           H        ALA   2  22.449   6.215  14.334
   10    HA   ALA   2           HA       ALA   2  23.505   8.917  15.099
   11    HB1  ALA   2           3HB      ALA   2  25.186   7.414  13.970
   12    HB2  ALA   2           1HB      ALA   2  24.841   8.887  13.064
   13    HB3  ALA   2           2HB      ALA   2  24.118   7.356  12.568
   14    H    TYR   3           H        TYR   3  23.107  10.371  12.927
   15    HA   TYR   3           HA       TYR   3  20.229  10.566  12.630
   16    HD1  TYR   3           HD2      TYR   3  19.304  13.332  11.971
   17    HD2  TYR   3           HD1      TYR   3  23.105  12.643  13.851
   18    HE1  TYR   3           HE2      TYR   3  18.695  14.913  13.781
   19    HE2  TYR   3           HE1      TYR   3  22.495  14.225  15.660
   20    HH   TYR   3           HH       TYR   3  20.500  16.430  15.579
   21    HB2  TYR   3           2HB      TYR   3  22.688  11.918  11.561
   22    HB3  TYR   3           1HB      TYR   3  21.146  12.235  10.767
   23    H    VAL   4           H        VAL   4  19.333   8.765  11.580
   24    HA   VAL   4           HA       VAL   4  20.056   8.429   8.709
   25    HB   VAL   4           HB       VAL   4  21.386   6.800   9.948
   26   HG11  VAL   4          1HG1      VAL   4  20.592   6.164  11.964
   27   HG12  VAL   4          2HG1      VAL   4  19.595   5.006  11.084
   28   HG13  VAL   4          3HG1      VAL   4  18.933   6.578  11.529
   29   HG21  VAL   4          3HG2      VAL   4  19.966   6.180   7.813
   30   HG22  VAL   4          1HG2      VAL   4  19.090   5.146   8.943
   31   HG23  VAL   4          2HG2      VAL   4  20.822   4.917   8.697
   32    H    GLN   5           H        GLN   5  17.947   9.627   8.599
   33    HA   GLN   5           HA       GLN   5  15.541   8.001   9.299
   34    HB2  GLN   5           2HB      GLN   5  16.285  10.808   9.170
   35    HB3  GLN   5           1HB      GLN   5  14.832  10.510   8.215
   36    HG2  GLN   5           2HG      GLN   5  15.071   9.336  10.974
   37    HG3  GLN   5           1HG      GLN   5  14.596  11.023  10.776
   38   HE21  GLN   5          1HE2      GLN   5  13.345   7.880  10.920
   39   HE22  GLN   5          2HE2      GLN   5  11.849   8.171  10.172
   40    H    GLY   6           H        GLY   6  13.710   8.357   7.524
   41    HA2  GLY   6           2HA      GLY   6  13.498   8.786   5.016
   42    HA3  GLY   6           1HA      GLY   6  14.944   7.795   4.859
   43    H    TRP   7           H        TRP   7  13.444   6.232   7.280
   44    HA   TRP   7           HA       TRP   7  12.631   3.969   5.794
   45    HD1  TRP   7           HD1      TRP   7  14.906   4.735   7.904
   46    HE1  TRP   7           HE1      TRP   7  16.322   2.689   8.574
   47    HE3  TRP   7           HE3      TRP   7  11.198   1.291   8.633
   48    HZ2  TRP   7           HZ2      TRP   7  15.936  -0.045   9.320
   49    HZ3  TRP   7           HZ3      TRP   7  11.754  -1.020   9.325
   50    HH2  TRP   7           HH2      TRP   7  14.115  -1.693   9.669
   51    HB2  TRP   7           2HB      TRP   7  12.088   5.094   8.525
   52    HB3  TRP   7           1HB      TRP   7  11.168   3.685   8.003
   53    H    GLU   8           H        GLU   8  10.628   6.654   7.045
   54    HA   GLU   8           HA       GLU   8   8.111   5.701   6.061
   55    HB2  GLU   8           2HB      GLU   8   9.186   8.488   6.617
   56    HB3  GLU   8           1HB      GLU   8   7.481   8.114   6.377
   57    HG2  GLU   8           2HG      GLU   8   7.391   7.757   8.608
   58    HG3  GLU   8           1HG      GLU   8   8.267   6.260   8.288
   59    H    ALA   9           H        ALA   9  10.647   7.720   4.599
   60    HA   ALA   9           HA       ALA   9   9.223   8.458   2.225
   61    HB1  ALA   9           3HB      ALA   9  12.203   7.999   2.499
   62    HB2  ALA   9           1HB      ALA   9  11.397   9.384   3.237
   63    HB3  ALA   9           2HB      ALA   9  11.383   9.185   1.485
   64    H    VAL  10           H        VAL  10  11.314   5.670   3.006
   65    HA   VAL  10           HA       VAL  10  11.312   4.517   0.366
   66    HB   VAL  10           HB       VAL  10  11.652   3.322   3.143
   67   HG11  VAL  10          1HG1      VAL  10  12.211   2.192   0.388
   68   HG12  VAL  10          2HG1      VAL  10  11.167   1.511   1.635
   69   HG13  VAL  10          3HG1      VAL  10  12.916   1.529   1.862
   70   HG21  VAL  10          3HG2      VAL  10  13.247   5.164   2.308
   71   HG22  VAL  10          1HG2      VAL  10  13.792   3.990   1.111
   72   HG23  VAL  10          2HG2      VAL  10  13.991   3.653   2.830
   73    H    ALA  11           H        ALA  11   9.218   4.088   3.218
   74    HA   ALA  11           HA       ALA  11   7.559   2.006   2.153
   75    HB1  ALA  11           3HB      ALA  11   7.664   2.646   4.529
   76    HB2  ALA  11           1HB      ALA  11   6.008   2.795   3.945
   77    HB3  ALA  11           2HB      ALA  11   7.007   4.235   4.142
   78    H    ALA  12           H        ALA  12   7.357   5.562   1.991
   79    HA   ALA  12           HA       ALA  12   4.818   5.763   0.691
   80    HB1  ALA  12           3HB      ALA  12   6.095   7.597   1.803
   81    HB2  ALA  12           1HB      ALA  12   5.618   8.029   0.161
   82    HB3  ALA  12           2HB      ALA  12   7.277   7.534   0.496
   83    H    ALA  13           H        ALA  13   8.137   5.457  -0.600
   84    HA   ALA  13           HA       ALA  13   7.476   5.703  -3.377
   85    HB1  ALA  13           3HB      ALA  13   9.681   4.084  -2.061
   86    HB2  ALA  13           1HB      ALA  13   9.745   5.833  -2.284
   87    HB3  ALA  13           2HB      ALA  13   9.703   4.766  -3.687
   88    H    VAL  14           H        VAL  14   7.602   2.890  -1.187
   89    HA   VAL  14           HA       VAL  14   7.090   0.883  -3.188
   90    HB   VAL  14           HB       VAL  14   6.483   0.968  -0.208
   91   HG11  VAL  14          1HG1      VAL  14   6.674  -1.523  -0.393
   92   HG12  VAL  14          2HG1      VAL  14   6.748  -1.352  -2.146
   93   HG13  VAL  14          3HG1      VAL  14   5.293  -0.870  -1.274
   94   HG21  VAL  14          3HG2      VAL  14   8.793  -0.584  -1.122
   95   HG22  VAL  14          1HG2      VAL  14   8.688   0.610   0.171
   96   HG23  VAL  14          2HG2      VAL  14   8.948   1.133  -1.493
   97    H    ALA  15           H        ALA  15   4.974   2.836  -1.085
   98    HA   ALA  15           HA       ALA  15   2.487   1.609  -1.807
   99    HB1  ALA  15           3HB      ALA  15   1.579   3.791  -0.937
  100    HB2  ALA  15           1HB      ALA  15   3.232   4.403  -0.885
  101    HB3  ALA  15           2HB      ALA  15   2.761   3.050   0.142
  102    H    SER  16           H        SER  16   4.355   4.293  -3.225
  103    HA   SER  16           HA       SER  16   2.422   5.134  -5.166
  104    HG   SER  16           HG       SER  16   4.789   7.521  -4.709
  105    HB2  SER  16           2HB      SER  16   5.439   5.241  -4.960
  106    HB3  SER  16           1HB      SER  16   4.568   5.988  -6.297
  107    H    LYS  17           H        LYS  17   5.047   2.710  -5.276
  108    HA   LYS  17           HA       LYS  17   4.758   1.997  -8.037
  109    HB2  LYS  17           2HB      LYS  17   6.671   1.479  -6.475
  110    HB3  LYS  17           1HB      LYS  17   5.647   0.268  -5.703
  111    HG2  LYS  17           2HG      LYS  17   5.764  -1.171  -7.491
  112    HG3  LYS  17           1HG      LYS  17   5.857   0.134  -8.670
  113    HD2  LYS  17           2HD      LYS  17   8.189   0.059  -6.902
  114    HD3  LYS  17           1HD      LYS  17   7.986  -1.435  -7.818
  115    HE2  LYS  17           2HE      LYS  17   7.467   0.622  -9.674
  116    HE3  LYS  17           1HE      LYS  17   8.889   1.161  -8.762
  117    HZ1  LYS  17           3HZ      LYS  17   9.670  -0.258 -10.486
  118    HZ2  LYS  17           1HZ      LYS  17   8.515  -1.448 -10.138
  119    HZ3  LYS  17           2HZ      LYS  17   9.781  -1.148  -9.045
  120    H    ILE  18           H        ILE  18   3.055   0.947  -5.098
  121    HA   ILE  18           HA       ILE  18   1.711  -1.338  -6.177
  122    HB   ILE  18           HB       ILE  18   1.251   0.638  -3.948
  123   HG12  ILE  18          2HG1      ILE  18   2.921  -1.249  -3.795
  124   HG13  ILE  18          1HG1      ILE  18   1.680  -1.281  -2.546
  125   HG21  ILE  18          1HG2      ILE  18  -1.009   0.225  -4.502
  126   HG22  ILE  18          2HG2      ILE  18  -0.662  -0.968  -3.252
  127   HG23  ILE  18          3HG2      ILE  18  -0.687  -1.451  -4.948
  128   HD11  ILE  18          3HD1      ILE  18   0.652  -2.727  -4.771
  129   HD12  ILE  18          1HD1      ILE  18   1.110  -3.359  -3.191
  130   HD13  ILE  18          2HD1      ILE  18   2.295  -3.300  -4.495
  131    H    VAL  19           H        VAL  19   0.713   2.096  -5.941
  132    HA   VAL  19           HA       VAL  19  -1.784   1.762  -7.351
  133    HB   VAL  19           HB       VAL  19   0.033   4.100  -6.702
  134   HG11  VAL  19          1HG1      VAL  19  -2.430   3.986  -8.388
  135   HG12  VAL  19          2HG1      VAL  19  -1.047   5.075  -8.494
  136   HG13  VAL  19          3HG1      VAL  19  -2.281   5.334  -7.260
  137   HG21  VAL  19          3HG2      VAL  19  -1.607   4.594  -5.013
  138   HG22  VAL  19          1HG2      VAL  19  -1.268   2.867  -4.891
  139   HG23  VAL  19          2HG2      VAL  19  -2.741   3.423  -5.684
  140    H    GLY  20           H        GLY  20   1.507   2.716  -8.355
  141    HA2  GLY  20           2HA      GLY  20   0.886   3.325 -11.086
  142    HA3  GLY  20           1HA      GLY  20   2.481   2.880 -10.480
  143    H    LEU  21           H        LEU  21   1.566   0.284  -9.407
  144    HA   LEU  21           HA       LEU  21   1.358  -1.203 -11.993
  145    HG   LEU  21           HG       LEU  21   2.126  -3.309 -11.980
  146    HB2  LEU  21           2HB      LEU  21   3.310  -1.284 -10.182
  147    HB3  LEU  21           1HB      LEU  21   2.217  -2.420  -9.393
  148   HD11  LEU  21          1HD1      LEU  21   3.837  -1.827 -12.803
  149   HD12  LEU  21          2HD1      LEU  21   4.567  -3.426 -12.660
  150   HD13  LEU  21          3HD1      LEU  21   4.891  -2.195 -11.439
  151   HD21  LEU  21          3HD2      LEU  21   3.418  -5.165 -11.185
  152   HD22  LEU  21          1HD2      LEU  21   2.551  -4.538  -9.783
  153   HD23  LEU  21          2HD2      LEU  21   4.259  -4.159 -10.005
  154    H    TRP  22           H        TRP  22  -1.013  -0.157 -10.557
  155    HA   TRP  22           HA       TRP  22  -2.228  -2.633  -9.438
  156    HD1  TRP  22           HD1      TRP  22  -4.013  -3.196  -8.068
  157    HE1  TRP  22           HE1      TRP  22  -6.527  -3.146  -7.511
  158    HE3  TRP  22           HE3      TRP  22  -5.016   1.723  -8.991
  159    HZ2  TRP  22           HZ2      TRP  22  -8.681  -1.264  -7.459
  160    HZ3  TRP  22           HZ3      TRP  22  -7.306   2.620  -8.678
  161    HH2  TRP  22           HH2      TRP  22  -9.138   1.134  -7.913
  162    HB2  TRP  22           2HB      TRP  22  -2.304  -0.640  -8.046
  163    HB3  TRP  22           1HB      TRP  22  -2.992   0.301  -9.367
  164    H    ARG  23           H        ARG  23  -3.802  -3.686 -10.547
  165    HA   ARG  23           HA       ARG  23  -4.749  -2.585 -13.149
  166    HE   ARG  23           HE       ARG  23  -7.885  -5.578 -14.923
  167    HB2  ARG  23           2HB      ARG  23  -3.649  -4.946 -12.550
  168    HB3  ARG  23           1HB      ARG  23  -5.311  -5.353 -12.126
  169    HG2  ARG  23           2HG      ARG  23  -5.554  -4.026 -14.567
  170    HG3  ARG  23           1HG      ARG  23  -4.097  -5.000 -14.762
  171    HD2  ARG  23           2HD      ARG  23  -5.292  -6.933 -14.846
  172    HD3  ARG  23           1HD      ARG  23  -6.271  -6.473 -13.441
  173   HH11  ARG  23          2HH1      ARG  23  -6.558  -7.520 -16.942
  174   HH12  ARG  23          1HH1      ARG  23  -6.390  -6.476 -18.314
  175   HH21  ARG  23          1HH2      ARG  23  -6.935  -3.564 -16.491
  176   HH22  ARG  23          2HH2      ARG  23  -6.611  -4.227 -18.059
  177    H    ASN  24           H        ASN  24  -7.185  -3.984 -13.325
  178    HA   ASN  24           HA       ASN  24  -9.121  -2.350 -12.187
  179    HB2  ASN  24           2HB      ASN  24  -8.991  -5.214 -13.063
  180    HB3  ASN  24           1HB      ASN  24 -10.466  -4.651 -12.280
  181   HD21  ASN  24          1HD2      ASN  24 -11.859  -3.250 -13.481
  182   HD22  ASN  24          2HD2      ASN  24 -11.534  -2.765 -15.075
  183    H    GLU  25           H        GLU  25  -7.799  -5.350 -10.752
  184    HA   GLU  25           HA       GLU  25  -8.308  -4.336  -8.034
  185    HB2  GLU  25           2HB      GLU  25  -9.793  -6.243  -7.472
  186    HB3  GLU  25           1HB      GLU  25 -10.486  -5.260  -8.762
  187    HG2  GLU  25           2HG      GLU  25  -9.915  -6.848 -10.431
  188    HG3  GLU  25           1HG      GLU  25  -8.788  -7.686  -9.365
  189    H    LYS  26           H        LYS  26  -5.934  -5.176  -9.555
  190    HA   LYS  26           HA       LYS  26  -4.957  -7.302  -7.709
  191    HB2  LYS  26           2HB      LYS  26  -5.885  -7.956 -10.134
  192    HB3  LYS  26           1HB      LYS  26  -4.261  -7.462 -10.607
  193    HG2  LYS  26           2HG      LYS  26  -4.461  -9.234  -8.225
  194    HG3  LYS  26           1HG      LYS  26  -4.845  -9.968  -9.781
  195    HD2  LYS  26           2HD      LYS  26  -2.532  -8.418 -10.230
  196    HD3  LYS  26           1HD      LYS  26  -2.256  -9.252  -8.700
  197    HE2  LYS  26           2HE      LYS  26  -3.297 -11.304 -10.128
  198    HE3  LYS  26           1HE      LYS  26  -2.535 -10.383 -11.440
  199    HZ1  LYS  26           3HZ      LYS  26  -0.512 -10.240 -10.070
  200    HZ2  LYS  26           1HZ      LYS  26  -0.912 -11.845 -10.453
  201    HZ3  LYS  26           2HZ      LYS  26  -1.242 -11.240  -8.902
  202    H    THR  27           H        THR  27  -2.647  -7.233  -7.421
  203    HA   THR  27           HA       THR  27  -1.062  -5.224  -8.907
  204    HB   THR  27           HB       THR  27  -2.354  -4.097  -7.008
  205    HG1  THR  27           HG1      THR  27  -0.728  -2.828  -7.331
  206   HG21  THR  27          3HG2      THR  27  -0.390  -5.646  -5.296
  207   HG22  THR  27          1HG2      THR  27  -2.114  -6.002  -5.410
  208   HG23  THR  27          2HG2      THR  27  -1.574  -4.467  -4.734
  209    H    GLU  28           H        GLU  28   1.283  -5.270  -7.971
  210    HA   GLU  28           HA       GLU  28   1.928  -8.058  -7.047
  211    HB2  GLU  28           2HB      GLU  28   2.909  -6.344  -9.280
  212    HB3  GLU  28           1HB      GLU  28   4.114  -7.330  -8.456
  213    HG2  GLU  28           2HG      GLU  28   3.380  -8.812 -10.093
  214    HG3  GLU  28           1HG      GLU  28   2.318  -9.242  -8.753
  215    H    LEU  29           H        LEU  29   3.525  -8.212  -5.444
  216    HA   LEU  29           HA       LEU  29   4.742  -5.644  -4.493
  217    HG   LEU  29           HG       LEU  29   2.387  -5.386  -3.515
  218    HB2  LEU  29           2HB      LEU  29   3.152  -7.751  -3.119
  219    HB3  LEU  29           1HB      LEU  29   4.525  -7.107  -2.222
  220   HD11  LEU  29          1HD1      LEU  29   2.018  -5.020  -0.877
  221   HD12  LEU  29          2HD1      LEU  29   2.590  -6.688  -0.839
  222   HD13  LEU  29          3HD1      LEU  29   1.159  -6.267  -1.779
  223   HD21  LEU  29          3HD2      LEU  29   3.408  -3.664  -1.966
  224   HD22  LEU  29          1HD2      LEU  29   4.480  -4.199  -3.259
  225   HD23  LEU  29          2HD2      LEU  29   4.692  -4.823  -1.623
  226    H    LEU  30           H        LEU  30   6.906  -5.849  -4.898
  227    HA   LEU  30           HA       LEU  30   9.073  -6.757  -5.012
  228    HG   LEU  30           HG       LEU  30  10.677  -7.811  -3.773
  229    HB2  LEU  30           2HB      LEU  30   7.954  -7.347  -2.578
  230    HB3  LEU  30           1HB      LEU  30   8.401  -8.953  -3.152
  231   HD11  LEU  30          1HD1      LEU  30   9.776  -6.006  -1.515
  232   HD12  LEU  30          2HD1      LEU  30   9.711  -5.520  -3.209
  233   HD13  LEU  30          3HD1      LEU  30  11.262  -5.895  -2.459
  234   HD21  LEU  30          3HD2      LEU  30  11.530  -8.334  -1.516
  235   HD22  LEU  30          1HD2      LEU  30  10.373  -9.557  -2.044
  236   HD23  LEU  30          2HD2      LEU  30   9.883  -8.320  -0.886
  237    H    GLY  31           H        GLY  31   6.843  -7.892  -6.753
  238    HA2  GLY  31           2HA      GLY  31   7.176  -9.432  -8.582
  239    HA3  GLY  31           1HA      GLY  31   8.304 -10.341  -7.577
  240    H    HIS  32           H        HIS  32   6.106 -10.008  -5.340
  241    HA   HIS  32           HA       HIS  32   4.834 -12.591  -5.867
  242    HD1  HIS  32           HD1      HIS  32   6.149 -13.953  -4.246
  243    HD2  HIS  32           HD2      HIS  32   6.919 -10.299  -2.396
  244    HE1  HIS  32           HE1      HIS  32   8.462 -14.137  -3.228
  245    HB2  HIS  32           2HB      HIS  32   4.486 -10.555  -3.636
  246    HB3  HIS  32           1HB      HIS  32   3.956 -12.234  -3.589
  247    H    GLU  33           H        GLU  33   2.567 -12.922  -6.112
  248    HA   GLU  33           HA       GLU  33   1.115 -10.772  -7.470
  249    HB2  GLU  33           2HB      GLU  33   0.513 -13.632  -6.662
  250    HB3  GLU  33           1HB      GLU  33  -0.647 -12.629  -7.533
  251    HG2  GLU  33           2HG      GLU  33   0.508 -12.776  -9.491
  252    HG3  GLU  33           1HG      GLU  33   2.071 -12.635  -8.690
  253    H    CYS  34           H        CYS  34  -0.573  -9.559  -6.609
  254    HA   CYS  34           HA       CYS  34  -1.502 -10.165  -3.831
  255    HB2  CYS  34           2HB      CYS  34  -0.344  -7.603  -4.949
  256    HB3  CYS  34           1HB      CYS  34  -1.248  -7.659  -3.438
  257    H    LYS  35           H        LYS  35  -3.483  -8.857  -3.296
  258    HA   LYS  35           HA       LYS  35  -5.085  -8.218  -5.753
  259    HB2  LYS  35           2HB      LYS  35  -5.596 -10.354  -4.426
  260    HB3  LYS  35           1HB      LYS  35  -6.163  -9.289  -3.139
  261    HG2  LYS  35           2HG      LYS  35  -8.027  -8.647  -4.304
  262    HG3  LYS  35           1HG      LYS  35  -7.200  -8.701  -5.860
  263    HD2  LYS  35           2HD      LYS  35  -7.418 -11.354  -4.664
  264    HD3  LYS  35           1HD      LYS  35  -8.998 -10.602  -4.882
  265    HE2  LYS  35           2HE      LYS  35  -7.530 -10.034  -7.247
  266    HE3  LYS  35           1HE      LYS  35  -7.278 -11.754  -6.895
  267    HZ1  LYS  35           3HZ      LYS  35  -9.809 -10.302  -7.336
  268    HZ2  LYS  35           1HZ      LYS  35  -9.806 -11.691  -6.355
  269    HZ3  LYS  35           2HZ      LYS  35  -9.301 -11.794  -7.973
  270    H    PHE  36           H        PHE  36  -4.927  -5.988  -5.710
  271    HA   PHE  36           HA       PHE  36  -5.602  -4.559  -3.170
  272    HD1  PHE  36           HD1      PHE  36  -5.747  -2.634  -2.569
  273    HD2  PHE  36           HD2      PHE  36  -3.257  -1.492  -5.881
  274    HE1  PHE  36           HE1      PHE  36  -6.022  -0.249  -1.957
  275    HE2  PHE  36           HE2      PHE  36  -3.536   0.889  -5.268
  276    HZ   PHE  36           HZ       PHE  36  -4.915   1.508  -3.308
  277    HB2  PHE  36           2HB      PHE  36  -3.423  -4.069  -4.174
  278    HB3  PHE  36           1HB      PHE  36  -4.178  -3.746  -5.730
  279    H    THR  37           H        THR  37  -7.562  -3.477  -3.107
  280    HA   THR  37           HA       THR  37  -8.949  -2.897  -5.697
  281    HB   THR  37           HB       THR  37 -11.000  -3.545  -4.021
  282    HG1  THR  37           HG1      THR  37  -8.989  -5.444  -3.428
  283   HG21  THR  37          3HG2      THR  37 -11.143  -5.621  -5.247
  284   HG22  THR  37          1HG2      THR  37  -9.419  -5.571  -5.619
  285   HG23  THR  37          2HG2      THR  37 -10.510  -4.384  -6.334
  286    H    VAL  38           H        VAL  38 -10.537  -1.168  -5.552
  287    HA   VAL  38           HA       VAL  38 -10.267   0.589  -3.141
  288    HB   VAL  38           HB       VAL  38 -10.208   1.312  -6.089
  289   HG11  VAL  38          1HG1      VAL  38  -9.807   3.648  -5.187
  290   HG12  VAL  38          2HG1      VAL  38 -10.297   3.045  -3.603
  291   HG13  VAL  38          3HG1      VAL  38 -11.444   3.037  -4.944
  292   HG21  VAL  38          3HG2      VAL  38  -8.167   1.441  -3.850
  293   HG22  VAL  38          1HG2      VAL  38  -7.956   2.262  -5.397
  294   HG23  VAL  38          2HG2      VAL  38  -8.061   0.502  -5.339
  295    H    LYS  39           H        LYS  39 -12.251   1.156  -2.307
  296    HA   LYS  39           HA       LYS  39 -14.625   1.224  -4.109
  297    HB2  LYS  39           2HB      LYS  39 -14.089  -1.028  -2.815
  298    HB3  LYS  39           1HB      LYS  39 -14.792  -0.161  -1.449
  299    HG2  LYS  39           2HG      LYS  39 -16.828   0.285  -2.784
  300    HG3  LYS  39           1HG      LYS  39 -16.128  -0.608  -4.135
  301    HD2  LYS  39           2HD      LYS  39 -16.001  -2.164  -1.684
  302    HD3  LYS  39           1HD      LYS  39 -17.658  -1.679  -2.041
  303    HE2  LYS  39           2HE      LYS  39 -17.712  -2.846  -4.064
  304    HE3  LYS  39           1HE      LYS  39 -15.950  -2.783  -4.262
  305    HZ1  LYS  39           3HZ      LYS  39 -16.860  -4.984  -3.495
  306    HZ2  LYS  39           1HZ      LYS  39 -17.272  -4.232  -2.032
  307    HZ3  LYS  39           2HZ      LYS  39 -15.644  -4.321  -2.511
  308    HA   PRO  40           HA       PRO  40 -14.751   4.811  -1.307
  309    HB2  PRO  40           2HB      PRO  40 -16.167   6.409  -3.011
  310    HB3  PRO  40           1HB      PRO  40 -14.411   6.188  -3.141
  311    HG2  PRO  40           2HG      PRO  40 -16.595   4.947  -4.729
  312    HG3  PRO  40           1HG      PRO  40 -15.002   5.507  -5.249
  313    HD2  PRO  40           2HD      PRO  40 -15.633   2.880  -4.807
  314    HD3  PRO  40           1HD      PRO  40 -13.988   3.540  -4.691
  315    H    TYR  41           H        TYR  41 -16.642   5.898  -0.273
  316    HA   TYR  41           HA       TYR  41 -19.219   4.414  -0.640
  317    HD1  TYR  41           HD1      TYR  41 -18.882   2.238   0.205
  318    HD2  TYR  41           HD2      TYR  41 -16.130   4.398   2.697
  319    HE1  TYR  41           HE1      TYR  41 -17.422   0.238   0.325
  320    HE2  TYR  41           HE2      TYR  41 -14.672   2.399   2.815
  321    HH   TYR  41           HH       TYR  41 -15.685  -0.686   1.831
  322    HB2  TYR  41           2HB      TYR  41 -18.061   5.468   1.955
  323    HB3  TYR  41           1HB      TYR  41 -19.463   4.425   1.765
  324    H    LEU  42           H        LEU  42 -20.895   5.812   0.837
  325    HA   LEU  42           HA       LEU  42 -20.569   8.695   0.102
  326    HG   LEU  42           HG       LEU  42 -22.191   9.852  -0.795
  327    HB2  LEU  42           2HB      LEU  42 -22.094   6.925  -1.291
  328    HB3  LEU  42           1HB      LEU  42 -23.264   7.462  -0.086
  329   HD11  LEU  42          1HD1      LEU  42 -22.008   8.020  -3.198
  330   HD12  LEU  42          2HD1      LEU  42 -20.732   9.025  -2.512
  331   HD13  LEU  42          3HD1      LEU  42 -22.099   9.776  -3.338
  332   HD21  LEU  42          3HD2      LEU  42 -24.387   8.455  -2.355
  333   HD22  LEU  42          1HD2      LEU  42 -24.209  10.192  -2.100
  334   HD23  LEU  42          2HD2      LEU  42 -24.606   9.137  -0.743
  335    H    LYS  43           H        LYS  43 -21.424  10.128   1.613
  336    HA   LYS  43           HA       LYS  43 -22.616   8.933   4.089
  337    HB2  LYS  43           2HB      LYS  43 -20.230  10.208   3.800
  338    HB3  LYS  43           1HB      LYS  43 -21.277  11.586   4.135
  339    HG2  LYS  43           2HG      LYS  43 -20.850  11.010   6.312
  340    HG3  LYS  43           1HG      LYS  43 -22.167   9.869   6.032
  341    HD2  LYS  43           2HD      LYS  43 -20.259   8.302   5.140
  342    HD3  LYS  43           1HD      LYS  43 -19.204   9.362   6.075
  343    HE2  LYS  43           2HE      LYS  43 -19.758   7.708   7.657
  344    HE3  LYS  43           1HE      LYS  43 -20.976   8.952   7.997
  345    HZ1  LYS  43           3HZ      LYS  43 -21.581   6.411   7.393
  346    HZ2  LYS  43           1HZ      LYS  43 -21.645   7.110   5.849
  347    HZ3  LYS  43           2HZ      LYS  43 -22.618   7.723   7.099
  348    H    ARG  44           H        ARG  44 -23.882  10.742   5.317
  349    HA   ARG  44           HA       ARG  44 -26.221  11.474   4.058
  350    HE   ARG  44           HE       ARG  44 -25.974  10.885   9.258
  351    HB2  ARG  44           2HB      ARG  44 -24.614  12.546   6.339
  352    HB3  ARG  44           1HB      ARG  44 -26.015  13.481   5.816
  353    HG2  ARG  44           2HG      ARG  44 -27.013  12.061   7.358
  354    HG3  ARG  44           1HG      ARG  44 -27.218  11.123   5.880
  355    HD2  ARG  44           2HD      ARG  44 -25.825   9.476   6.614
  356    HD3  ARG  44           1HD      ARG  44 -24.630  10.645   7.210
  357   HH11  ARG  44          1HH2      ARG  44 -28.657  10.099   8.318
  358   HH12  ARG  44          2HH2      ARG  44 -28.827   8.485   8.921
  359   HH21  ARG  44          2HH1      ARG  44 -25.424   8.065   9.499
  360   HH22  ARG  44          1HH1      ARG  44 -26.989   7.328   9.593
  361    H    PHE  45           H        PHE  45 -23.177  13.310   4.006
  362    HA   PHE  45           HA       PHE  45 -24.118  14.790   1.637
  363    HD1  PHE  45           HD1      PHE  45 -24.777  14.980   5.661
  364    HD2  PHE  45           HD2      PHE  45 -21.581  17.314   3.992
  365    HE1  PHE  45           HE1      PHE  45 -23.661  15.035   7.874
  366    HE2  PHE  45           HE2      PHE  45 -20.464  17.364   6.205
  367    HZ   PHE  45           HZ       PHE  45 -21.504  16.226   8.146
  368    HB2  PHE  45           2HB      PHE  45 -23.654  16.990   2.767
  369    HB3  PHE  45           1HB      PHE  45 -25.010  16.116   3.473
  370    H    GLN  46           H        GLN  46 -21.927  12.874   2.091
  371    HA   GLN  46           HA       GLN  46 -19.731  14.479   0.978
  372    HB2  GLN  46           2HB      GLN  46 -19.966  14.038   3.798
  373    HB3  GLN  46           1HB      GLN  46 -18.575  13.130   3.214
  374    HG2  GLN  46           2HG      GLN  46 -17.389  15.008   2.745
  375    HG3  GLN  46           1HG      GLN  46 -18.793  15.837   2.074
  376   HE21  GLN  46          1HE2      GLN  46 -18.697  17.803   3.262
  377   HE22  GLN  46          2HE2      GLN  46 -18.792  17.877   4.955
  378    H    VAL  47           H        VAL  47 -18.415  13.189  -0.285
  379    HA   VAL  47           HA       VAL  47 -18.928  10.245  -0.254
  380    HB   VAL  47           HB       VAL  47 -17.575  12.046  -2.297
  381   HG11  VAL  47          1HG1      VAL  47 -17.944  10.129  -3.822
  382   HG12  VAL  47          2HG1      VAL  47 -18.606   9.196  -2.480
  383   HG13  VAL  47          3HG1      VAL  47 -16.910   9.681  -2.465
  384   HG21  VAL  47          3HG2      VAL  47 -19.827  12.754  -2.266
  385   HG22  VAL  47          1HG2      VAL  47 -20.427  11.130  -1.932
  386   HG23  VAL  47          2HG2      VAL  47 -19.807  11.527  -3.534
  387    H    TYR  48           H        TYR  48 -17.371   8.970   0.680
  388    HA   TYR  48           HA       TYR  48 -14.619  10.112   1.004
  389    HD1  TYR  48           HD2      TYR  48 -13.392  10.197   3.631
  390    HD2  TYR  48           HD1      TYR  48 -17.680  10.213   3.337
  391    HE1  TYR  48           HE2      TYR  48 -13.486  12.216   5.070
  392    HE2  TYR  48           HE1      TYR  48 -17.771  12.229   4.777
  393    HH   TYR  48           HH       TYR  48 -15.982  13.203   6.690
  394    HB2  TYR  48           2HB      TYR  48 -16.393   8.287   2.610
  395    HB3  TYR  48           1HB      TYR  48 -14.645   8.217   2.832
  396    H    TYR  49           H        TYR  49 -12.851   8.853   0.332
  397    HA   TYR  49           HA       TYR  49 -13.500   6.550  -1.433
  398    HD1  TYR  49           HD2      TYR  49 -13.666   8.778  -3.127
  399    HD2  TYR  49           HD1      TYR  49 -10.313   6.105  -3.367
  400    HE1  TYR  49           HE2      TYR  49 -14.129   8.412  -5.535
  401    HE2  TYR  49           HE1      TYR  49 -10.773   5.741  -5.775
  402    HH   TYR  49           HH       TYR  49 -13.281   6.059  -7.234
  403    HB2  TYR  49           2HB      TYR  49 -11.664   8.744  -1.412
  404    HB3  TYR  49           1HB      TYR  49 -10.718   7.256  -1.370
  405    H    LYS  50           H        LYS  50 -12.248   4.543  -1.221
  406    HA   LYS  50           HA       LYS  50 -10.671   4.119   1.238
  407    HB2  LYS  50           2HB      LYS  50 -12.931   3.889   2.074
  408    HB3  LYS  50           1HB      LYS  50 -13.381   2.867   0.712
  409    HG2  LYS  50           2HG      LYS  50 -12.672   1.029   1.799
  410    HG3  LYS  50           1HG      LYS  50 -11.075   1.737   2.019
  411    HD2  LYS  50           2HD      LYS  50 -11.488   2.262   4.174
  412    HD3  LYS  50           1HD      LYS  50 -13.080   2.919   3.793
  413    HE2  LYS  50           2HE      LYS  50 -13.678   0.338   3.451
  414    HE3  LYS  50           1HE      LYS  50 -12.321   0.129   4.576
  415    HZ1  LYS  50           3HZ      LYS  50 -14.456   2.127   5.056
  416    HZ2  LYS  50           1HZ      LYS  50 -13.330   1.503   6.161
  417    HZ3  LYS  50           2HZ      LYS  50 -14.600   0.524   5.599
  418    H    GLY  51           H        GLY  51  -9.418   2.179   1.100
  419    HA2  GLY  51           2HA      GLY  51  -9.843   0.414  -1.224
  420    HA3  GLY  51           1HA      GLY  51  -8.318   1.293  -1.188
  421    H    ARG  52           H        ARG  52  -8.875  -1.627  -0.960
  422    HA   ARG  52           HA       ARG  52  -7.335  -2.101   1.551
  423    HE   ARG  52           HE       ARG  52  -9.644  -6.517   3.202
  424    HB2  ARG  52           2HB      ARG  52  -9.773  -2.456   1.933
  425    HB3  ARG  52           1HB      ARG  52  -9.783  -3.638   0.623
  426    HG2  ARG  52           2HG      ARG  52  -8.667  -5.225   1.854
  427    HG3  ARG  52           1HG      ARG  52  -7.746  -4.025   2.762
  428    HD2  ARG  52           2HD      ARG  52  -9.211  -4.213   4.476
  429    HD3  ARG  52           1HD      ARG  52 -10.524  -3.684   3.405
  430   HH11  ARG  52          1HH2      ARG  52 -11.366  -5.203   5.600
  431   HH12  ARG  52          2HH2      ARG  52 -12.913  -5.854   5.173
  432   HH21  ARG  52          2HH1      ARG  52 -11.894  -6.918   2.027
  433   HH22  ARG  52          1HH1      ARG  52 -13.212  -6.833   3.147
  434    H    MET  53           H        MET  53  -5.725  -3.668   1.261
  435    HA   MET  53           HA       MET  53  -5.846  -5.336  -1.212
  436    HB2  MET  53           2HB      MET  53  -3.745  -4.577  -1.935
  437    HB3  MET  53           1HB      MET  53  -4.490  -3.111  -1.313
  438    HG2  MET  53           2HG      MET  53  -2.524  -2.927  -0.164
  439    HG3  MET  53           1HG      MET  53  -3.319  -4.033   0.956
  440    HE1  MET  53           3HE      MET  53  -1.892  -4.262  -2.598
  441    HE2  MET  53           1HE      MET  53  -0.373  -5.147  -2.394
  442    HE3  MET  53           2HE      MET  53  -0.549  -3.526  -1.726
  443    H    TRP  54           H        TRP  54  -4.478  -7.224  -1.134
  444    HA   TRP  54           HA       TRP  54  -3.079  -7.954   1.334
  445    HD1  TRP  54           HD1      TRP  54  -5.273 -11.499  -0.091
  446    HE1  TRP  54           HE1      TRP  54  -7.280 -11.569  -1.707
  447    HE3  TRP  54           HE3      TRP  54  -7.117  -6.780   0.578
  448    HZ2  TRP  54           HZ2      TRP  54  -9.383  -9.851  -2.603
  449    HZ3  TRP  54           HZ3      TRP  54  -9.120  -6.025  -0.671
  450    HH2  TRP  54           HH2      TRP  54 -10.254  -7.554  -2.259
  451    HB2  TRP  54           2HB      TRP  54  -4.604  -9.848   1.849
  452    HB3  TRP  54           1HB      TRP  54  -5.439  -8.303   1.957
  453    H    CYS  55           H        CYS  55  -1.676  -9.733   0.978
  454    HA   CYS  55           HA       CYS  55  -1.604 -10.726  -1.848
  455    HB2  CYS  55           2HB      CYS  55   0.565 -10.446   0.245
  456    HB3  CYS  55           1HB      CYS  55   0.819 -10.978  -1.413
  457    HA   PRO  56           HA       PRO  56  -2.512 -14.488   0.594
  458    HB2  PRO  56           2HB      PRO  56  -4.082 -15.668  -1.315
  459    HB3  PRO  56           1HB      PRO  56  -4.708 -14.491  -0.144
  460    HG2  PRO  56           2HG      PRO  56  -4.013 -14.127  -3.004
  461    HG3  PRO  56           1HG      PRO  56  -5.295 -13.373  -2.046
  462    HD2  PRO  56           2HD      PRO  56  -2.920 -12.153  -2.725
  463    HD3  PRO  56           1HD      PRO  56  -3.947 -11.672  -1.373
  464    H    GLY  57           H        GLY  57  -0.213 -14.965   0.236
  465    HA2  GLY  57           2HA      GLY  57   0.416 -17.303  -1.111
  466    HA3  GLY  57           1HA      GLY  57   0.717 -16.035  -2.299
  467    H    TRP  58           H        TRP  58   1.772 -13.997  -0.834
  468    HA   TRP  58           HA       TRP  58   4.449 -14.974  -0.198
  469    HD1  TRP  58           HD1      TRP  58   6.324 -14.439   0.052
  470    HE1  TRP  58           HE1      TRP  58   8.414 -13.044   0.617
  471    HE3  TRP  58           HE3      TRP  58   4.283  -9.755   0.072
  472    HZ2  TRP  58           HZ2      TRP  58   9.131 -10.304   1.021
  473    HZ3  TRP  58           HZ3      TRP  58   5.693  -7.774   0.551
  474    HH2  TRP  58           HH2      TRP  58   8.113  -8.043   1.026
  475    HB2  TRP  58           2HB      TRP  58   3.777 -12.800  -1.357
  476    HB3  TRP  58           1HB      TRP  58   3.258 -12.216   0.217
  477    H    THR  59           H        THR  59   1.765 -13.491   1.618
  478    HA   THR  59           HA       THR  59   2.683 -14.800   4.095
  479    HB   THR  59           HB       THR  59   3.967 -12.684   3.936
  480    HG1  THR  59           HG1      THR  59   3.582 -13.002   5.998
  481   HG21  THR  59          3HG2      THR  59   2.450 -11.406   2.515
  482   HG22  THR  59          1HG2      THR  59   2.716 -10.525   4.020
  483   HG23  THR  59          2HG2      THR  59   1.216 -11.417   3.774
  484    H    ALA  60           H        ALA  60   1.053 -13.739   5.914
  485    HA   ALA  60           HA       ALA  60  -1.700 -13.912   4.738
  486    HB1  ALA  60           3HB      ALA  60  -1.018 -15.856   6.090
  487    HB2  ALA  60           1HB      ALA  60  -2.282 -14.955   6.927
  488    HB3  ALA  60           2HB      ALA  60  -0.600 -14.791   7.431
  489    H    ILE  61           H        ILE  61  -0.515 -11.414   4.812
  490    HA   ILE  61           HA       ILE  61  -1.752 -10.084   7.199
  491    HB   ILE  61           HB       ILE  61   0.652  -9.393   5.475
  492   HG12  ILE  61          2HG1      ILE  61   0.490  -9.911   8.457
  493   HG13  ILE  61          1HG1      ILE  61   0.844 -11.181   7.286
  494   HG21  ILE  61          1HG2      ILE  61  -0.772  -7.822   7.631
  495   HG22  ILE  61          2HG2      ILE  61  -0.346  -7.295   6.003
  496   HG23  ILE  61          3HG2      ILE  61   0.915  -7.523   7.215
  497   HD11  ILE  61          3HD1      ILE  61   2.963 -10.361   8.061
  498   HD12  ILE  61          1HD1      ILE  61   2.463  -8.683   7.844
  499   HD13  ILE  61          2HD1      ILE  61   2.739  -9.710   6.437
  500    H    ARG  62           H        ARG  62  -2.812  -8.025   6.755
  501    HA   ARG  62           HA       ARG  62  -3.457  -7.515   3.883
  502    HE   ARG  62           HE       ARG  62  -5.994  -7.938   9.015
  503    HB2  ARG  62           2HB      ARG  62  -5.818  -6.955   4.967
  504    HB3  ARG  62           1HB      ARG  62  -5.402  -8.603   4.517
  505    HG2  ARG  62           2HG      ARG  62  -5.026  -9.253   6.737
  506    HG3  ARG  62           1HG      ARG  62  -4.741  -7.596   7.273
  507    HD2  ARG  62           2HD      ARG  62  -7.286  -7.304   6.461
  508    HD3  ARG  62           1HD      ARG  62  -7.328  -9.033   6.865
  509   HH11  ARG  62          2HH1      ARG  62  -7.587  -5.430   8.235
  510   HH12  ARG  62          1HH1      ARG  62  -8.975  -5.593   9.260
  511   HH21  ARG  62          1HH2      ARG  62  -8.376  -8.944   9.978
  512   HH22  ARG  62          2HH2      ARG  62  -9.423  -7.591  10.248
  513    H    GLY  63           H        GLY  63  -4.249  -5.311   3.499
  514    HA2  GLY  63           2HA      GLY  63  -3.667  -3.368   5.680
  515    HA3  GLY  63           1HA      GLY  63  -2.845  -3.172   4.133
  516    H    GLU  64           H        GLU  64  -4.837  -1.402   5.484
  517    HA   GLU  64           HA       GLU  64  -6.600  -1.018   3.135
  518    HB2  GLU  64           2HB      GLU  64  -7.712  -2.579   4.769
  519    HB3  GLU  64           1HB      GLU  64  -7.693  -1.278   5.952
  520    HG2  GLU  64           2HG      GLU  64  -8.770  -0.371   3.409
  521    HG3  GLU  64           1HG      GLU  64  -9.664  -1.763   4.008
  522    H    ALA  65           H        ALA  65  -7.563   1.093   3.117
  523    HA   ALA  65           HA       ALA  65  -6.850   3.041   5.213
  524    HB1  ALA  65           3HB      ALA  65  -5.720   3.338   2.418
  525    HB2  ALA  65           1HB      ALA  65  -4.806   2.644   3.756
  526    HB3  ALA  65           2HB      ALA  65  -5.347   4.318   3.835
  527    H    SER  66           H        SER  66  -8.099   4.948   5.042
  528    HA   SER  66           HA       SER  66  -9.837   5.253   2.636
  529    HG   SER  66           HG       SER  66 -10.369   3.397   5.442
  530    HB2  SER  66           2HB      SER  66 -11.516   5.856   4.748
  531    HB3  SER  66           1HB      SER  66 -11.514   4.342   3.856
  532    H    THR  67           H        THR  67 -10.298   7.385   2.123
  533    HA   THR  67           HA       THR  67 -10.030   9.589   4.001
  534    HB   THR  67           HB       THR  67  -7.656   8.933   3.636
  535    HG1  THR  67           HG1      THR  67  -6.965  11.010   3.017
  536   HG21  THR  67          3HG2      THR  67  -8.207   8.143   1.220
  537   HG22  THR  67          1HG2      THR  67  -6.641   8.896   1.518
  538   HG23  THR  67          2HG2      THR  67  -7.943   9.827   0.775
  539    H    ARG  68           H        ARG  68  -9.983  11.754   2.626
  540    HA   ARG  68           HA       ARG  68 -12.225  11.664   0.779
  541    HE   ARG  68           HE       ARG  68 -11.178  16.028   3.418
  542    HB2  ARG  68           2HB      ARG  68 -10.277  13.765   1.748
  543    HB3  ARG  68           1HB      ARG  68 -11.529  14.143   0.565
  544    HG2  ARG  68           2HG      ARG  68 -13.080  12.904   2.351
  545    HG3  ARG  68           1HG      ARG  68 -11.805  13.423   3.454
  546    HD2  ARG  68           2HD      ARG  68 -12.715  15.507   1.551
  547    HD3  ARG  68           1HD      ARG  68 -13.915  15.010   2.759
  548   HH11  ARG  68          1HH2      ARG  68 -14.063  17.253   3.886
  549   HH12  ARG  68          2HH2      ARG  68 -14.160  17.077   5.606
  550   HH21  ARG  68          2HH1      ARG  68 -11.445  14.915   5.803
  551   HH22  ARG  68          1HH1      ARG  68 -12.673  15.748   6.696
  552    H    SER  69           H        SER  69  -8.703  11.978   0.423
  553    HA   SER  69           HA       SER  69  -8.579  12.705  -2.326
  554    HG   SER  69           HG       SER  69  -6.179  12.630   0.326
  555    HB2  SER  69           2HB      SER  69  -6.448  10.907  -1.633
  556    HB3  SER  69           1HB      SER  69  -6.392  12.660  -1.760
  557    H    GLN  70           H        GLN  70  -8.806  11.515  -4.200
  558    HA   GLN  70           HA       GLN  70 -10.072   8.903  -4.090
  559    HB2  GLN  70           2HB      GLN  70  -9.091  10.799  -6.216
  560    HB3  GLN  70           1HB      GLN  70  -9.662   9.192  -6.659
  561    HG2  GLN  70           2HG      GLN  70 -11.761  10.010  -6.608
  562    HG3  GLN  70           1HG      GLN  70 -11.586  10.173  -4.861
  563   HE21  GLN  70          1HE2      GLN  70 -11.333  12.304  -3.992
  564   HE22  GLN  70          2HE2      GLN  70 -11.337  13.701  -4.957
  565    H    SER  71           H        SER  71  -6.982   9.951  -5.612
  566    HA   SER  71           HA       SER  71  -6.029   7.191  -5.796
  567    HG   SER  71           HG       SER  71  -4.748   7.778  -8.150
  568    HB2  SER  71           2HB      SER  71  -5.064   9.944  -6.484
  569    HB3  SER  71           1HB      SER  71  -3.885   8.637  -6.419
  570    H    GLY  72           H        GLY  72  -5.630   9.908  -3.585
  571    HA2  GLY  72           2HA      GLY  72  -3.283   9.089  -2.214
  572    HA3  GLY  72           1HA      GLY  72  -4.572  10.057  -1.500
  573    H    VAL  73           H        VAL  73  -6.685   8.097  -1.782
  574    HA   VAL  73           HA       VAL  73  -6.325   6.589   0.621
  575    HB   VAL  73           HB       VAL  73  -8.440   7.347  -0.812
  576   HG11  VAL  73          1HG1      VAL  73  -9.467   5.442  -1.985
  577   HG12  VAL  73          2HG1      VAL  73  -8.023   4.475  -1.693
  578   HG13  VAL  73          3HG1      VAL  73  -7.940   5.890  -2.742
  579   HG21  VAL  73          3HG2      VAL  73  -9.770   5.977   0.585
  580   HG22  VAL  73          1HG2      VAL  73  -8.266   6.184   1.482
  581   HG23  VAL  73          2HG2      VAL  73  -8.570   4.687   0.602
  582    H    ALA  74           H        ALA  74  -5.898   5.696  -2.799
  583    HA   ALA  74           HA       ALA  74  -5.448   2.887  -2.356
  584    HB1  ALA  74           3HB      ALA  74  -4.373   3.118  -4.659
  585    HB2  ALA  74           1HB      ALA  74  -4.657   4.853  -4.527
  586    HB3  ALA  74           2HB      ALA  74  -6.021   3.734  -4.543
  587    H    GLY  75           H        GLY  75  -3.231   5.675  -2.645
  588    HA2  GLY  75           2HA      GLY  75  -0.809   4.183  -2.325
  589    HA3  GLY  75           1HA      GLY  75  -0.985   5.909  -2.010
  590    H    LYS  76           H        LYS  76  -3.053   5.687  -0.018
  591    HA   LYS  76           HA       LYS  76  -1.507   5.326   2.355
  592    HB2  LYS  76           2HB      LYS  76  -3.634   6.701   1.911
  593    HB3  LYS  76           1HB      LYS  76  -4.521   5.191   2.114
  594    HG2  LYS  76           2HG      LYS  76  -4.537   6.176   4.271
  595    HG3  LYS  76           1HG      LYS  76  -3.266   4.957   4.354
  596    HD2  LYS  76           2HD      LYS  76  -2.251   7.511   3.372
  597    HD3  LYS  76           1HD      LYS  76  -2.989   7.667   4.967
  598    HE2  LYS  76           2HE      LYS  76  -1.521   6.049   5.927
  599    HE3  LYS  76           1HE      LYS  76  -0.999   5.468   4.333
  600    HZ1  LYS  76           3HZ      LYS  76  -0.050   7.631   3.870
  601    HZ2  LYS  76           1HZ      LYS  76   0.615   7.020   5.305
  602    HZ3  LYS  76           2HZ      LYS  76  -0.578   8.226   5.373
  603    H    THR  77           H        THR  77  -3.844   3.176   0.698
  604    HA   THR  77           HA       THR  77  -3.887   1.105   2.680
  605    HB   THR  77           HB       THR  77  -4.272   1.107  -0.335
  606    HG1  THR  77           HG1      THR  77  -6.139   1.900   0.160
  607   HG21  THR  77          3HG2      THR  77  -5.113  -0.971   1.705
  608   HG22  THR  77          1HG2      THR  77  -3.809  -1.168   0.534
  609   HG23  THR  77          2HG2      THR  77  -5.475  -1.007  -0.019
  610    H    ALA  78           H        ALA  78  -1.861   1.617  -0.212
  611    HA   ALA  78           HA       ALA  78  -0.289  -0.778   0.071
  612    HB1  ALA  78           3HB      ALA  78   1.110   0.305  -1.593
  613    HB2  ALA  78           1HB      ALA  78   0.469   1.889  -1.160
  614    HB3  ALA  78           2HB      ALA  78  -0.568   0.707  -1.958
  615    H    LYS  79           H        LYS  79   0.101   2.555   1.274
  616    HA   LYS  79           HA       LYS  79   2.716   2.215   2.428
  617    HB2  LYS  79           2HB      LYS  79   1.298   4.327   1.890
  618    HB3  LYS  79           1HB      LYS  79   0.541   4.043   3.457
  619    HG2  LYS  79           2HG      LYS  79   3.507   3.943   3.432
  620    HG3  LYS  79           1HG      LYS  79   2.795   5.529   3.136
  621    HD2  LYS  79           2HD      LYS  79   2.032   5.720   5.267
  622    HD3  LYS  79           1HD      LYS  79   1.525   4.032   5.336
  623    HE2  LYS  79           2HE      LYS  79   4.195   3.651   5.338
  624    HE3  LYS  79           1HE      LYS  79   4.139   5.253   6.099
  625    HZ1  LYS  79           3HZ      LYS  79   2.250   4.293   7.486
  626    HZ2  LYS  79           1HZ      LYS  79   3.816   3.760   7.860
  627    HZ3  LYS  79           2HZ      LYS  79   2.774   2.767   6.956
  628    H    ASP  80           H        ASP  80  -0.584   1.747   3.709
  629    HA   ASP  80           HA       ASP  80   0.217   1.184   6.427
  630    HB2  ASP  80           2HB      ASP  80  -2.221   0.874   4.708
  631    HB3  ASP  80           1HB      ASP  80  -2.170  -0.022   6.223
  632    H    PHE  81           H        PHE  81  -0.064  -0.797   3.511
  633    HA   PHE  81           HA       PHE  81   0.149  -3.340   4.939
  634    HD1  PHE  81           HD1      PHE  81   2.297  -4.404   1.775
  635    HD2  PHE  81           HD2      PHE  81  -1.600  -5.238   3.382
  636    HE1  PHE  81           HE1      PHE  81   2.687  -6.833   1.466
  637    HE2  PHE  81           HE2      PHE  81  -1.207  -7.666   3.071
  638    HZ   PHE  81           HZ       PHE  81   0.936  -8.465   2.114
  639    HB2  PHE  81           2HB      PHE  81  -0.976  -2.977   2.722
  640    HB3  PHE  81           1HB      PHE  81   0.604  -2.633   2.019
  641    H    VAL  82           H        VAL  82   2.382  -1.086   3.338
  642    HA   VAL  82           HA       VAL  82   4.680  -2.838   3.377
  643    HB   VAL  82           HB       VAL  82   4.300   0.167   3.189
  644   HG11  VAL  82          1HG1      VAL  82   6.792  -1.529   3.080
  645   HG12  VAL  82          2HG1      VAL  82   6.529  -0.009   3.934
  646   HG13  VAL  82          3HG1      VAL  82   6.694  -0.017   2.178
  647   HG21  VAL  82          3HG2      VAL  82   4.294  -0.129   0.893
  648   HG22  VAL  82          1HG2      VAL  82   3.574  -1.663   1.384
  649   HG23  VAL  82          2HG2      VAL  82   5.287  -1.584   0.974
  650    H    ARG  83           H        ARG  83   3.429  -0.373   5.655
  651    HA   ARG  83           HA       ARG  83   5.722  -0.509   7.429
  652    HE   ARG  83           HE       ARG  83   1.462   1.644  10.337
  653    HB2  ARG  83           2HB      ARG  83   4.298   0.797   8.912
  654    HB3  ARG  83           1HB      ARG  83   4.073   1.365   7.264
  655    HG2  ARG  83           2HG      ARG  83   1.863   1.180   7.849
  656    HG3  ARG  83           1HG      ARG  83   2.126  -0.480   7.330
  657    HD2  ARG  83           2HD      ARG  83   1.603  -1.201   9.412
  658    HD3  ARG  83           1HD      ARG  83   2.965  -0.270  10.068
  659   HH11  ARG  83          1HH2      ARG  83  -0.004  -0.576  11.749
  660   HH12  ARG  83          2HH2      ARG  83  -1.598  -0.425  11.091
  661   HH21  ARG  83          2HH1      ARG  83  -0.592   1.540   8.411
  662   HH22  ARG  83          1HH1      ARG  83  -1.933   0.775   9.194
  663    H    LYS  84           H        LYS  84   2.623  -2.221   7.251
  664    HA   LYS  84           HA       LYS  84   2.826  -3.621   9.759
  665    HB2  LYS  84           2HB      LYS  84   1.142  -3.513   7.410
  666    HB3  LYS  84           1HB      LYS  84   1.449  -5.197   7.831
  667    HG2  LYS  84           2HG      LYS  84   0.974  -4.010  10.294
  668    HG3  LYS  84           1HG      LYS  84  -0.174  -3.201   9.226
  669    HD2  LYS  84           2HD      LYS  84  -0.825  -5.513   8.375
  670    HD3  LYS  84           1HD      LYS  84   0.118  -6.173   9.711
  671    HE2  LYS  84           2HE      LYS  84  -1.307  -4.565  11.207
  672    HE3  LYS  84           1HE      LYS  84  -2.418  -4.544   9.822
  673    HZ1  LYS  84           3HZ      LYS  84  -2.327  -6.995   9.813
  674    HZ2  LYS  84           1HZ      LYS  84  -2.983  -6.381  11.251
  675    HZ3  LYS  84           2HZ      LYS  84  -1.386  -6.955  11.228
  676    H    ALA  85           H        ALA  85   3.891  -4.398   6.440
  677    HA   ALA  85           HA       ALA  85   4.915  -7.029   7.076
  678    HB1  ALA  85           3HB      ALA  85   4.569  -6.746   4.806
  679    HB2  ALA  85           1HB      ALA  85   6.272  -6.294   4.864
  680    HB3  ALA  85           2HB      ALA  85   5.028  -5.044   4.847
  681    H    PHE  86           H        PHE  86   6.247  -3.745   7.137
  682    HA   PHE  86           HA       PHE  86   9.022  -4.410   7.451
  683    HD1  PHE  86           HD1      PHE  86  10.880  -2.972   8.187
  684    HD2  PHE  86           HD2      PHE  86   8.060  -0.941   5.660
  685    HE1  PHE  86           HE1      PHE  86  12.733  -2.216   6.723
  686    HE2  PHE  86           HE2      PHE  86   9.913  -0.188   4.196
  687    HZ   PHE  86           HZ       PHE  86  12.251  -0.824   4.728
  688    HB2  PHE  86           2HB      PHE  86   7.281  -2.112   7.502
  689    HB3  PHE  86           1HB      PHE  86   8.352  -2.034   8.897
  690    H    GLN  87           H        GLN  87   6.373  -3.911   9.801
  691    HA   GLN  87           HA       GLN  87   7.954  -4.163  12.185
  692    HB2  GLN  87           2HB      GLN  87   5.069  -4.371  11.387
  693    HB3  GLN  87           1HB      GLN  87   5.530  -4.882  13.010
  694    HG2  GLN  87           2HG      GLN  87   6.110  -2.751  13.671
  695    HG3  GLN  87           1HG      GLN  87   6.608  -2.271  12.049
  696   HE21  GLN  87          1HE2      GLN  87   3.523  -3.372  13.607
  697   HE22  GLN  87          2HE2      GLN  87   2.567  -2.178  12.868
  698    H    LYS  88           H        LYS  88   6.290  -6.579  10.151
  699    HA   LYS  88           HA       LYS  88   6.858  -8.787  11.987
  700    HB2  LYS  88           2HB      LYS  88   5.212  -8.238   9.737
  701    HB3  LYS  88           1HB      LYS  88   6.246  -9.593   9.284
  702    HG2  LYS  88           2HG      LYS  88   4.753  -9.509  11.914
  703    HG3  LYS  88           1HG      LYS  88   4.053 -10.202  10.452
  704    HD2  LYS  88           2HD      LYS  88   5.866 -11.814  10.283
  705    HD3  LYS  88           1HD      LYS  88   6.707 -11.063  11.640
  706    HE2  LYS  88           2HE      LYS  88   4.471 -11.554  12.947
  707    HE3  LYS  88           1HE      LYS  88   4.216 -12.754  11.665
  708    HZ1  LYS  88           3HZ      LYS  88   6.470 -13.590  12.081
  709    HZ2  LYS  88           1HZ      LYS  88   5.489 -13.734  13.459
  710    HZ3  LYS  88           2HZ      LYS  88   6.643 -12.490  13.366
  711    H    GLY  89           H        GLY  89   8.019  -7.945   8.690
  712    HA2  GLY  89           2HA      GLY  89  10.607  -7.991   8.599
  713    HA3  GLY  89           1HA      GLY  89  10.410  -9.635   9.194
  714    H    LEU  90           H        LEU  90   8.760  -7.722   6.643
  715    HA   LEU  90           HA       LEU  90   9.351  -9.974   4.754
  716    HG   LEU  90           HG       LEU  90   7.137 -10.772   6.158
  717    HB2  LEU  90           2HB      LEU  90   6.875  -8.449   5.426
  718    HB3  LEU  90           1HB      LEU  90   7.091  -8.931   3.744
  719   HD11  LEU  90          1HD1      LEU  90   5.239 -10.930   3.831
  720   HD12  LEU  90          2HD1      LEU  90   4.921  -9.796   5.145
  721   HD13  LEU  90          3HD1      LEU  90   5.031 -11.525   5.478
  722   HD21  LEU  90          3HD2      LEU  90   8.660 -11.745   4.636
  723   HD22  LEU  90          1HD2      LEU  90   7.744 -11.199   3.231
  724   HD23  LEU  90          2HD2      LEU  90   7.132 -12.521   4.225
  725    H    ILE  91           H        ILE  91   8.566  -6.469   4.905
  726    HA   ILE  91           HA       ILE  91   9.999  -6.107   2.313
  727    HB   ILE  91           HB       ILE  91   8.060  -4.366   3.877
  728   HG12  ILE  91          2HG1      ILE  91   7.645  -5.669   1.178
  729   HG13  ILE  91          1HG1      ILE  91   7.223  -6.490   2.680
  730   HG21  ILE  91          1HG2      ILE  91   9.634  -2.982   2.605
  731   HG22  ILE  91          2HG2      ILE  91   8.050  -2.951   1.829
  732   HG23  ILE  91          3HG2      ILE  91   9.342  -3.948   1.158
  733   HD11  ILE  91          3HD1      ILE  91   5.923  -4.315   3.250
  734   HD12  ILE  91          1HD1      ILE  91   5.216  -5.420   2.072
  735   HD13  ILE  91          2HD1      ILE  91   6.052  -3.966   1.526
  736    H    SER  92           H        SER  92  12.177  -5.949   2.988
  737    HA   SER  92           HA       SER  92  12.962  -4.372   5.321
  738    HG   SER  92           HG       SER  92  15.927  -5.841   5.156
  739    HB2  SER  92           2HB      SER  92  14.074  -6.442   4.233
  740    HB3  SER  92           1HB      SER  92  14.743  -5.305   3.068
  741    H    GLN  93           H        GLN  93  14.961  -2.788   4.738
  742    HA   GLN  93           HA       GLN  93  13.794  -0.491   3.424
  743    HB2  GLN  93           2HB      GLN  93  15.364  -0.437   5.350
  744    HB3  GLN  93           1HB      GLN  93  16.639  -1.079   4.317
  745    HG2  GLN  93           2HG      GLN  93  15.251   1.331   3.286
  746    HG3  GLN  93           1HG      GLN  93  16.243   1.579   4.722
  747   HE21  GLN  93          1HE2      GLN  93  16.453   1.736   1.425
  748   HE22  GLN  93          2HE2      GLN  93  18.095   1.361   1.220
  749    H    GLN  94           H        GLN  94  16.773  -2.331   2.597
  750    HA   GLN  94           HA       GLN  94  17.086  -1.158   0.003
  751    HB2  GLN  94           2HB      GLN  94  18.731  -2.946  -0.299
  752    HB3  GLN  94           1HB      GLN  94  18.837  -2.323   1.345
  753    HG2  GLN  94           2HG      GLN  94  17.309  -4.217   2.059
  754    HG3  GLN  94           1HG      GLN  94  17.497  -4.885   0.438
  755   HE21  GLN  94          1HE2      GLN  94  19.737  -5.527  -0.223
  756   HE22  GLN  94          2HE2      GLN  94  20.886  -5.904   0.968
  757    H    GLU  95           H        GLU  95  15.317  -4.039   1.095
  758    HA   GLU  95           HA       GLU  95  14.776  -5.255  -1.418
  759    HB2  GLU  95           2HB      GLU  95  13.883  -5.351   1.339
  760    HB3  GLU  95           1HB      GLU  95  12.515  -5.555   0.247
  761    HG2  GLU  95           2HG      GLU  95  13.615  -7.391  -0.888
  762    HG3  GLU  95           1HG      GLU  95  15.100  -7.120   0.024
  763    H    ALA  96           H        ALA  96  12.986  -2.694   0.336
  764    HA   ALA  96           HA       ALA  96  10.825  -2.439  -1.529
  765    HB1  ALA  96           3HB      ALA  96  10.409  -1.350   0.467
  766    HB2  ALA  96           1HB      ALA  96  11.040   0.027  -0.437
  767    HB3  ALA  96           2HB      ALA  96  12.092  -0.861   0.665
  768    H    ASN  97           H        ASN  97  14.030  -0.890  -1.361
  769    HA   ASN  97           HA       ASN  97  13.619   0.914  -3.584
  770    HB2  ASN  97           2HB      ASN  97  15.489   0.533  -1.609
  771    HB3  ASN  97           1HB      ASN  97  16.347  -0.086  -3.021
  772   HD21  ASN  97          1HD2      ASN  97  15.968   1.504  -5.076
  773   HD22  ASN  97          2HD2      ASN  97  16.186   3.150  -4.724
  774    H    GLN  98           H        GLN  98  14.874  -2.401  -3.283
  775    HA   GLN  98           HA       GLN  98  15.840  -2.709  -5.963
  776    HB2  GLN  98           2HB      GLN  98  14.728  -4.622  -3.886
  777    HB3  GLN  98           1HB      GLN  98  15.467  -5.167  -5.391
  778    HG2  GLN  98           2HG      GLN  98  16.982  -3.213  -3.702
  779    HG3  GLN  98           1HG      GLN  98  16.921  -4.895  -3.178
  780   HE21  GLN  98          1HE2      GLN  98  17.742  -6.551  -4.761
  781   HE22  GLN  98          2HE2      GLN  98  18.890  -6.088  -5.922
  782    H    TRP  99           H        TRP  99  12.640  -3.336  -4.490
  783    HA   TRP  99           HA       TRP  99  11.372  -4.366  -6.856
  784    HD1  TRP  99           HD1      TRP  99   9.429  -5.520  -7.156
  785    HE1  TRP  99           HE1      TRP  99   6.934  -5.324  -7.768
  786    HE3  TRP  99           HE3      TRP  99   8.030  -1.774  -3.984
  787    HZ2  TRP  99           HZ2      TRP  99   4.650  -3.783  -7.009
  788    HZ3  TRP  99           HZ3      TRP  99   5.696  -0.967  -3.947
  789    HH2  TRP  99           HH2      TRP  99   4.001  -1.965  -5.456
  790    HB2  TRP  99           2HB      TRP  99  10.537  -4.537  -4.509
  791    HB3  TRP  99           1HB      TRP  99  10.230  -2.801  -4.514
  792    H    LEU 100           H        LEU 100  11.684  -1.091  -5.500
  793    HA   LEU 100           HA       LEU 100  10.080   0.326  -7.384
  794    HG   LEU 100           HG       LEU 100   9.884   0.709  -4.944
  795    HB2  LEU 100           2HB      LEU 100  12.409   0.975  -5.589
  796    HB3  LEU 100           1HB      LEU 100  11.813   2.197  -6.710
  797   HD11  LEU 100          1HD1      LEU 100  11.656   1.627  -3.470
  798   HD12  LEU 100          2HD1      LEU 100  10.124   2.473  -3.253
  799   HD13  LEU 100          3HD1      LEU 100  11.417   3.218  -4.194
  800   HD21  LEU 100          3HD2      LEU 100   9.280   3.462  -5.290
  801   HD22  LEU 100          1HD2      LEU 100   8.462   2.083  -6.025
  802   HD23  LEU 100          2HD2      LEU 100   9.804   2.861  -6.863
  803    H    SER 101           H        SER 101  13.491  -0.690  -7.526
  804    HA   SER 101           HA       SER 101  14.201   0.728  -9.922
  805    HG   SER 101           HG       SER 101  16.161  -0.546  -7.341
  806    HB2  SER 101           2HB      SER 101  15.224  -1.842  -8.673
  807    HB3  SER 101           1HB      SER 101  16.057  -0.954  -9.944
  808    H    SER 102           HN       SER 102  12.826  -2.514  -9.354
  809    HA   SER 102           HA       SER 102  11.795  -4.043 -10.817
  810    HG   SER 102           HG       SER 102   9.681  -3.633 -11.773
  811    HB2  SER 102           2HB      SER 102  11.312  -1.322 -11.824
  812    HB3  SER 102           1HB      SER 102  11.171  -2.557 -13.071
  Start of MODEL    7
    1    HA   GLU   1           HA       GLU   1  15.734  11.569   0.288
    2    H1   GLU   1           1H       GLU   1  15.833   9.456   1.542
    3    H2   GLU   1           2H       GLU   1  14.595   9.458   0.378
    4    H3   GLU   1           3H       GLU   1  14.220   9.675   2.021
    5    HB2  GLU   1           2HB      GLU   1  12.940  11.314   1.374
    6    HB3  GLU   1           1HB      GLU   1  13.606  12.922   1.087
    7    HG2  GLU   1           2HG      GLU   1  12.767  12.570  -1.017
    8    HG3  GLU   1           1HG      GLU   1  14.301  11.731  -1.240
    9    H    ALA   2           H        ALA   2  14.012  11.429   3.445
   10    HA   ALA   2           HA       ALA   2  16.222  13.086   4.619
   11    HB1  ALA   2           3HB      ALA   2  13.276  12.735   5.240
   12    HB2  ALA   2           1HB      ALA   2  14.087  14.192   4.666
   13    HB3  ALA   2           2HB      ALA   2  14.374  13.611   6.307
   14    H    TYR   3           H        TYR   3  16.071  12.639   7.234
   15    HA   TYR   3           HA       TYR   3  16.601   9.713   7.527
   16    HD1  TYR   3           HD1      TYR   3  18.202   8.700   9.674
   17    HD2  TYR   3           HD2      TYR   3  19.649  11.799   7.074
   18    HE1  TYR   3           HE1      TYR   3  20.176   7.309   9.115
   19    HE2  TYR   3           HE2      TYR   3  21.623  10.406   6.515
   20    HH   TYR   3           HH       TYR   3  21.897   7.441   6.717
   21    HB2  TYR   3           2HB      TYR   3  17.775  12.208   8.447
   22    HB3  TYR   3           1HB      TYR   3  17.420  11.154   9.815
   23    H    VAL   4           H        VAL   4  16.318   9.456  10.273
   24    HA   VAL   4           HA       VAL   4  14.774   9.143  12.020
   25    HB   VAL   4           HB       VAL   4  13.167  11.266  10.552
   26   HG11  VAL   4          1HG1      VAL   4  12.202  11.700  12.755
   27   HG12  VAL   4          2HG1      VAL   4  13.230  10.461  13.475
   28   HG13  VAL   4          3HG1      VAL   4  11.966  10.004  12.333
   29   HG21  VAL   4          3HG2      VAL   4  15.455  11.451  12.526
   30   HG22  VAL   4          1HG2      VAL   4  14.316  12.774  12.284
   31   HG23  VAL   4          2HG2      VAL   4  15.321  12.222  10.945
   32    H    GLN   5           H        GLN   5  12.682   9.803   9.157
   33    HA   GLN   5           HA       GLN   5  11.226   7.266   9.737
   34    HB2  GLN   5           2HB      GLN   5  10.695   9.888   8.453
   35    HB3  GLN   5           1HB      GLN   5   9.901   8.509   7.695
   36    HG2  GLN   5           2HG      GLN   5   8.500   8.188   9.455
   37    HG3  GLN   5           1HG      GLN   5   9.765   8.510  10.640
   38   HE21  GLN   5          1HE2      GLN   5  10.287  10.865  11.045
   39   HE22  GLN   5          2HE2      GLN   5   9.078  12.028  10.793
   40    H    GLY   6           H        GLY   6  13.618   6.513   8.814
   41    HA2  GLY   6           2HA      GLY   6  14.080   6.519   6.005
   42    HA3  GLY   6           1HA      GLY   6  14.711   5.311   7.123
   43    H    TRP   7           H        TRP   7  12.159   4.329   8.044
   44    HA   TRP   7           HA       TRP   7  11.588   2.338   6.061
   45    HD1  TRP   7           HD1      TRP   7  13.285   2.165   7.647
   46    HE1  TRP   7           HE1      TRP   7  14.262   0.523   9.371
   47    HE3  TRP   7           HE3      TRP   7   9.030   0.896  10.175
   48    HZ2  TRP   7           HZ2      TRP   7  13.363  -1.120  11.534
   49    HZ3  TRP   7           HZ3      TRP   7   9.120  -0.709  12.057
   50    HH2  TRP   7           HH2      TRP   7  11.278  -1.719  12.741
   51    HB2  TRP   7           2HB      TRP   7  10.107   3.364   8.504
   52    HB3  TRP   7           1HB      TRP   7   9.588   1.946   7.598
   53    H    GLU   8           H        GLU   8   9.885   5.331   6.990
   54    HA   GLU   8           HA       GLU   8   7.632   5.067   5.265
   55    HB2  GLU   8           2HB      GLU   8   8.610   6.834   7.172
   56    HB3  GLU   8           1HB      GLU   8   8.644   7.792   5.693
   57    HG2  GLU   8           2HG      GLU   8   6.191   6.171   6.212
   58    HG3  GLU   8           1HG      GLU   8   6.439   7.609   7.205
   59    H    ALA   9           H        ALA   9  10.874   6.425   4.696
   60    HA   ALA   9           HA       ALA   9  10.324   7.507   2.085
   61    HB1  ALA   9           3HB      ALA   9  12.262   8.026   3.640
   62    HB2  ALA   9           1HB      ALA   9  12.740   7.701   1.973
   63    HB3  ALA   9           2HB      ALA   9  12.939   6.456   3.205
   64    H    VAL  10           H        VAL  10  11.644   4.371   3.187
   65    HA   VAL  10           HA       VAL  10  12.016   3.307   0.520
   66    HB   VAL  10           HB       VAL  10  11.681   2.021   3.257
   67   HG11  VAL  10          1HG1      VAL  10  13.041   0.166   1.922
   68   HG12  VAL  10          2HG1      VAL  10  12.211   0.877   0.540
   69   HG13  VAL  10          3HG1      VAL  10  11.278   0.203   1.876
   70   HG21  VAL  10          3HG2      VAL  10  14.162   1.769   3.083
   71   HG22  VAL  10          1HG2      VAL  10  13.656   3.457   3.091
   72   HG23  VAL  10          2HG2      VAL  10  14.122   2.685   1.577
   73    H    ALA  11           H        ALA  11   9.404   3.218   2.907
   74    HA   ALA  11           HA       ALA  11   7.657   1.433   1.502
   75    HB1  ALA  11           3HB      ALA  11   7.161   3.736   3.423
   76    HB2  ALA  11           1HB      ALA  11   7.399   2.046   3.867
   77    HB3  ALA  11           2HB      ALA  11   5.951   2.532   2.985
   78    H    ALA  12           H        ALA  12   7.951   5.004   1.540
   79    HA   ALA  12           HA       ALA  12   5.864   5.703  -0.214
   80    HB1  ALA  12           3HB      ALA  12   7.353   7.675  -0.705
   81    HB2  ALA  12           1HB      ALA  12   8.662   6.833   0.124
   82    HB3  ALA  12           2HB      ALA  12   7.221   7.315   1.016
   83    H    ALA  13           H        ALA  13   9.219   4.735  -1.031
   84    HA   ALA  13           HA       ALA  13   8.980   4.981  -3.871
   85    HB1  ALA  13           3HB      ALA  13  10.609   3.004  -2.236
   86    HB2  ALA  13           1HB      ALA  13  11.078   4.681  -2.521
   87    HB3  ALA  13           2HB      ALA  13  10.971   3.552  -3.872
   88    H    VAL  14           H        VAL  14   8.248   2.286  -1.656
   89    HA   VAL  14           HA       VAL  14   7.595   0.322  -3.626
   90    HB   VAL  14           HB       VAL  14   6.529   0.800  -0.818
   91   HG11  VAL  14          1HG1      VAL  14   5.029  -0.770  -1.653
   92   HG12  VAL  14          2HG1      VAL  14   6.307  -1.822  -1.042
   93   HG13  VAL  14          3HG1      VAL  14   6.212  -1.461  -2.765
   94   HG21  VAL  14          3HG2      VAL  14   8.408  -1.389  -1.168
   95   HG22  VAL  14          1HG2      VAL  14   8.495  -0.015  -0.066
   96   HG23  VAL  14          2HG2      VAL  14   9.112   0.134  -1.712
   97    H    ALA  15           H        ALA  15   5.569   2.765  -1.962
   98    HA   ALA  15           HA       ALA  15   3.052   2.097  -3.109
   99    HB1  ALA  15           3HB      ALA  15   4.333   4.311  -1.703
  100    HB2  ALA  15           1HB      ALA  15   2.665   3.745  -1.601
  101    HB3  ALA  15           2HB      ALA  15   3.135   4.881  -2.864
  102    H    SER  16           H        SER  16   5.624   4.285  -4.296
  103    HA   SER  16           HA       SER  16   4.291   5.260  -6.615
  104    HG   SER  16           HG       SER  16   6.531   7.251  -6.046
  105    HB2  SER  16           2HB      SER  16   7.215   4.683  -6.034
  106    HB3  SER  16           1HB      SER  16   6.653   5.652  -7.393
  107    H    LYS  17           H        LYS  17   6.295   2.352  -6.113
  108    HA   LYS  17           HA       LYS  17   6.172   1.445  -8.851
  109    HB2  LYS  17           2HB      LYS  17   7.753   0.872  -6.833
  110    HB3  LYS  17           1HB      LYS  17   6.531  -0.338  -6.448
  111    HG2  LYS  17           2HG      LYS  17   7.648  -1.665  -7.910
  112    HG3  LYS  17           1HG      LYS  17   6.870  -0.697  -9.162
  113    HD2  LYS  17           2HD      LYS  17   9.380   0.370  -7.940
  114    HD3  LYS  17           1HD      LYS  17   9.527  -0.977  -9.066
  115    HE2  LYS  17           2HE      LYS  17   9.315   0.475 -10.791
  116    HE3  LYS  17           1HE      LYS  17   7.693   0.904 -10.211
  117    HZ1  LYS  17           3HZ      LYS  17   8.959   2.279  -8.469
  118    HZ2  LYS  17           1HZ      LYS  17   8.866   2.896 -10.047
  119    HZ3  LYS  17           2HZ      LYS  17  10.291   2.138  -9.516
  120    H    ILE  18           H        ILE  18   4.108   0.965  -6.002
  121    HA   ILE  18           HA       ILE  18   2.507  -1.165  -7.136
  122    HB   ILE  18           HB       ILE  18   2.246   0.785  -4.839
  123   HG12  ILE  18          2HG1      ILE  18   2.646  -2.210  -5.116
  124   HG13  ILE  18          1HG1      ILE  18   3.757  -1.036  -4.412
  125   HG21  ILE  18          1HG2      ILE  18  -0.031   0.488  -5.594
  126   HG22  ILE  18          2HG2      ILE  18   0.190  -0.546  -4.184
  127   HG23  ILE  18          3HG2      ILE  18   0.209  -1.247  -5.803
  128   HD11  ILE  18          3HD1      ILE  18   2.054  -0.569  -2.631
  129   HD12  ILE  18          1HD1      ILE  18   2.639  -2.233  -2.607
  130   HD13  ILE  18          2HD1      ILE  18   1.059  -1.863  -3.297
  131    H    VAL  19           H        VAL  19   2.029   2.376  -6.790
  132    HA   VAL  19           HA       VAL  19  -0.531   2.423  -8.118
  133    HB   VAL  19           HB       VAL  19   1.601   4.522  -7.602
  134   HG11  VAL  19          1HG1      VAL  19  -1.080   4.676  -8.933
  135   HG12  VAL  19          2HG1      VAL  19   0.394   5.580  -9.279
  136   HG13  VAL  19          3HG1      VAL  19  -0.593   6.005  -7.880
  137   HG21  VAL  19          3HG2      VAL  19  -1.036   4.555  -6.237
  138   HG22  VAL  19          1HG2      VAL  19   0.570   4.874  -5.585
  139   HG23  VAL  19          2HG2      VAL  19   0.023   3.213  -5.804
  140    H    GLY  20           H        GLY  20   2.813   2.882  -9.266
  141    HA2  GLY  20           2HA      GLY  20   2.055   3.584 -11.969
  142    HA3  GLY  20           1HA      GLY  20   3.662   3.086 -11.449
  143    H    LEU  21           H        LEU  21   2.160   0.557 -10.284
  144    HA   LEU  21           HA       LEU  21   1.943  -0.885 -12.899
  145    HG   LEU  21           HG       LEU  21   2.639  -2.995 -13.016
  146    HB2  LEU  21           2HB      LEU  21   4.040  -1.066 -11.280
  147    HB3  LEU  21           1HB      LEU  21   2.989  -2.180 -10.409
  148   HD11  LEU  21          1HD1      LEU  21   4.411  -1.499 -13.816
  149   HD12  LEU  21          2HD1      LEU  21   4.932  -3.178 -13.958
  150   HD13  LEU  21          3HD1      LEU  21   5.537  -2.176 -12.638
  151   HD21  LEU  21          3HD2      LEU  21   2.978  -4.562 -11.240
  152   HD22  LEU  21          1HD2      LEU  21   4.571  -3.901 -10.867
  153   HD23  LEU  21          2HD2      LEU  21   4.320  -4.813 -12.357
  154    H    TRP  22           H        TRP  22  -0.171   0.180 -10.869
  155    HA   TRP  22           HA       TRP  22  -1.355  -2.355  -9.896
  156    HD1  TRP  22           HD1      TRP  22  -3.130  -2.993  -8.566
  157    HE1  TRP  22           HE1      TRP  22  -5.602  -2.941  -7.840
  158    HE3  TRP  22           HE3      TRP  22  -4.052   2.015  -8.940
  159    HZ2  TRP  22           HZ2      TRP  22  -7.692  -1.027  -7.459
  160    HZ3  TRP  22           HZ3      TRP  22  -6.290   2.924  -8.388
  161    HH2  TRP  22           HH2      TRP  22  -8.110   1.412  -7.647
  162    HB2  TRP  22           2HB      TRP  22  -1.361  -0.438  -8.406
  163    HB3  TRP  22           1HB      TRP  22  -2.106   0.575  -9.641
  164    H    ARG  23           H        ARG  23  -3.083  -3.343 -10.883
  165    HA   ARG  23           HA       ARG  23  -4.112  -2.173 -13.423
  166    HE   ARG  23           HE       ARG  23  -3.690  -4.159 -17.000
  167    HB2  ARG  23           2HB      ARG  23  -3.108  -4.593 -12.889
  168    HB3  ARG  23           1HB      ARG  23  -4.770  -4.915 -12.400
  169    HG2  ARG  23           2HG      ARG  23  -5.524  -4.891 -14.540
  170    HG3  ARG  23           1HG      ARG  23  -4.558  -3.475 -14.956
  171    HD2  ARG  23           2HD      ARG  23  -2.711  -5.594 -14.546
  172    HD3  ARG  23           1HD      ARG  23  -4.015  -6.244 -15.559
  173   HH11  ARG  23          2HH1      ARG  23  -1.648  -2.897 -15.140
  174   HH12  ARG  23          1HH1      ARG  23  -0.165  -3.279 -15.948
  175   HH21  ARG  23          1HH2      ARG  23  -1.585  -5.731 -17.963
  176   HH22  ARG  23          2HH2      ARG  23  -0.128  -4.890 -17.550
  177    H    ASN  24           H        ASN  24  -6.610  -3.353 -13.561
  178    HA   ASN  24           HA       ASN  24  -8.369  -1.647 -12.210
  179    HB2  ASN  24           2HB      ASN  24  -8.481  -4.311 -13.524
  180    HB3  ASN  24           1HB      ASN  24  -9.856  -3.903 -12.499
  181   HD21  ASN  24          1HD2      ASN  24  -8.947  -3.750 -15.658
  182   HD22  ASN  24          2HD2      ASN  24  -9.779  -2.352 -16.140
  183    H    GLU  25           H        GLU  25  -7.198  -4.847 -11.140
  184    HA   GLU  25           HA       GLU  25  -7.680  -4.131  -8.327
  185    HB2  GLU  25           2HB      GLU  25  -9.232  -6.061  -7.999
  186    HB3  GLU  25           1HB      GLU  25  -9.894  -4.864  -9.110
  187    HG2  GLU  25           2HG      GLU  25  -8.423  -6.593 -10.752
  188    HG3  GLU  25           1HG      GLU  25  -9.222  -7.659  -9.599
  189    H    LYS  26           H        LYS  26  -5.320  -4.851  -9.886
  190    HA   LYS  26           HA       LYS  26  -4.445  -7.224  -8.307
  191    HB2  LYS  26           2HB      LYS  26  -5.373  -7.774 -10.656
  192    HB3  LYS  26           1HB      LYS  26  -3.927  -6.977 -11.276
  193    HG2  LYS  26           2HG      LYS  26  -2.658  -8.551  -9.608
  194    HG3  LYS  26           1HG      LYS  26  -4.142  -9.502  -9.651
  195    HD2  LYS  26           2HD      LYS  26  -3.400 -10.439 -11.560
  196    HD3  LYS  26           1HD      LYS  26  -3.593  -8.867 -12.337
  197    HE2  LYS  26           2HE      LYS  26  -1.338  -8.431 -12.301
  198    HE3  LYS  26           1HE      LYS  26  -1.115  -9.206 -10.720
  199    HZ1  LYS  26           3HZ      LYS  26  -1.336 -11.355 -11.715
  200    HZ2  LYS  26           1HZ      LYS  26  -0.157 -10.502 -12.587
  201    HZ3  LYS  26           2HZ      LYS  26  -1.719 -10.683 -13.230
  202    H    THR  27           H        THR  27  -2.196  -7.212  -7.877
  203    HA   THR  27           HA       THR  27  -0.425  -5.250  -9.185
  204    HB   THR  27           HB       THR  27  -1.638  -3.925  -7.493
  205    HG1  THR  27           HG1      THR  27   0.929  -4.492  -6.452
  206   HG21  THR  27          3HG2      THR  27  -2.345  -5.622  -5.947
  207   HG22  THR  27          1HG2      THR  27  -1.278  -4.536  -5.057
  208   HG23  THR  27          2HG2      THR  27  -0.681  -6.098  -5.614
  209    H    GLU  28           H        GLU  28   1.839  -5.668  -8.612
  210    HA   GLU  28           HA       GLU  28   2.234  -8.375  -7.383
  211    HB2  GLU  28           2HB      GLU  28   3.429  -6.847  -9.655
  212    HB3  GLU  28           1HB      GLU  28   4.494  -7.939  -8.770
  213    HG2  GLU  28           2HG      GLU  28   2.349  -9.555  -9.058
  214    HG3  GLU  28           1HG      GLU  28   2.160  -8.564 -10.505
  215    H    LEU  29           H        LEU  29   3.960  -8.618  -5.863
  216    HA   LEU  29           HA       LEU  29   5.401  -6.152  -5.014
  217    HG   LEU  29           HG       LEU  29   3.248  -5.296  -4.454
  218    HB2  LEU  29           2HB      LEU  29   3.366  -7.745  -3.521
  219    HB3  LEU  29           1HB      LEU  29   4.744  -7.138  -2.604
  220   HD11  LEU  29          1HD1      LEU  29   2.392  -6.302  -1.755
  221   HD12  LEU  29          2HD1      LEU  29   1.410  -5.977  -3.185
  222   HD13  LEU  29          3HD1      LEU  29   2.035  -4.638  -2.221
  223   HD21  LEU  29          3HD2      LEU  29   4.075  -3.612  -2.869
  224   HD22  LEU  29          1HD2      LEU  29   5.412  -4.608  -3.441
  225   HD23  LEU  29          2HD2      LEU  29   4.732  -4.883  -1.837
  226    H    LEU  30           H        LEU  30   7.531  -6.682  -4.834
  227    HA   LEU  30           HA       LEU  30   9.501  -7.952  -4.607
  228    HG   LEU  30           HG       LEU  30  10.681  -9.251  -3.069
  229    HB2  LEU  30           2HB      LEU  30   7.964  -8.149  -2.358
  230    HB3  LEU  30           1HB      LEU  30   8.173  -9.851  -2.768
  231   HD11  LEU  30          1HD1      LEU  30  11.279  -7.355  -1.427
  232   HD12  LEU  30          2HD1      LEU  30   9.596  -6.854  -1.584
  233   HD13  LEU  30          3HD1      LEU  30  10.645  -6.881  -3.002
  234   HD21  LEU  30          3HD2      LEU  30  11.102  -9.742  -0.745
  235   HD22  LEU  30          1HD2      LEU  30   9.630 -10.599  -1.200
  236   HD23  LEU  30          2HD2      LEU  30   9.530  -9.104  -0.271
  237    H    GLY  31           H        GLY  31   7.651  -8.791  -6.742
  238    HA2  GLY  31           2HA      GLY  31   7.699 -10.519  -8.347
  239    HA3  GLY  31           1HA      GLY  31   8.817 -11.398  -7.307
  240    H    HIS  32           H        HIS  32   5.740 -10.260  -6.041
  241    HA   HIS  32           HA       HIS  32   4.721 -13.078  -6.082
  242    HD1  HIS  32           HD1      HIS  32   5.916 -14.450  -4.760
  243    HD2  HIS  32           HD2      HIS  32   6.830 -11.193  -2.319
  244    HE1  HIS  32           HE1      HIS  32   8.107 -15.001  -3.615
  245    HB2  HIS  32           2HB      HIS  32   4.600 -10.954  -3.915
  246    HB3  HIS  32           1HB      HIS  32   3.810 -12.521  -3.821
  247    H    GLU  33           H        GLU  33   2.309 -13.171  -5.887
  248    HA   GLU  33           HA       GLU  33   1.047 -11.031  -7.499
  249    HB2  GLU  33           2HB      GLU  33   0.703 -13.348  -8.135
  250    HB3  GLU  33           1HB      GLU  33   0.190 -13.769  -6.502
  251    HG2  GLU  33           2HG      GLU  33  -1.929 -13.349  -7.140
  252    HG3  GLU  33           1HG      GLU  33  -1.490 -11.646  -7.284
  253    H    CYS  34           H        CYS  34  -0.257  -9.487  -6.588
  254    HA   CYS  34           HA       CYS  34  -1.371  -9.974  -3.857
  255    HB2  CYS  34           2HB      CYS  34   0.173  -7.605  -4.929
  256    HB3  CYS  34           1HB      CYS  34  -0.798  -7.511  -3.462
  257    H    LYS  35           H        LYS  35  -3.175  -8.372  -3.387
  258    HA   LYS  35           HA       LYS  35  -4.616  -7.605  -5.901
  259    HB2  LYS  35           2HB      LYS  35  -5.304  -9.697  -4.516
  260    HB3  LYS  35           1HB      LYS  35  -5.948  -8.528  -3.366
  261    HG2  LYS  35           2HG      LYS  35  -7.653  -7.901  -4.753
  262    HG3  LYS  35           1HG      LYS  35  -6.665  -8.067  -6.206
  263    HD2  LYS  35           2HD      LYS  35  -7.385 -10.550  -4.696
  264    HD3  LYS  35           1HD      LYS  35  -8.629  -9.786  -5.686
  265    HE2  LYS  35           2HE      LYS  35  -5.863 -10.435  -6.759
  266    HE3  LYS  35           1HE      LYS  35  -7.238 -11.548  -6.898
  267    HZ1  LYS  35           3HZ      LYS  35  -7.578 -10.330  -8.777
  268    HZ2  LYS  35           1HZ      LYS  35  -6.826  -8.940  -8.163
  269    HZ3  LYS  35           2HZ      LYS  35  -8.412  -9.325  -7.691
  270    H    PHE  36           H        PHE  36  -4.569  -5.405  -5.912
  271    HA   PHE  36           HA       PHE  36  -5.082  -3.912  -3.363
  272    HD1  PHE  36           HD1      PHE  36  -5.428  -1.030  -5.681
  273    HD2  PHE  36           HD2      PHE  36  -2.319  -2.033  -2.893
  274    HE1  PHE  36           HE1      PHE  36  -5.503   1.271  -4.772
  275    HE2  PHE  36           HE2      PHE  36  -2.403   0.270  -1.982
  276    HZ   PHE  36           HZ       PHE  36  -3.995   1.917  -2.922
  277    HB2  PHE  36           2HB      PHE  36  -2.913  -3.572  -4.580
  278    HB3  PHE  36           1HB      PHE  36  -3.824  -3.042  -5.988
  279    H    THR  37           H        THR  37  -6.974  -2.631  -3.301
  280    HA   THR  37           HA       THR  37  -8.347  -1.999  -5.863
  281    HB   THR  37           HB       THR  37 -10.472  -2.965  -4.575
  282    HG1  THR  37           HG1      THR  37  -9.200  -3.523  -2.728
  283   HG21  THR  37          3HG2      THR  37  -9.279  -3.701  -6.767
  284   HG22  THR  37          1HG2      THR  37 -10.328  -4.859  -5.949
  285   HG23  THR  37          2HG2      THR  37  -8.578  -4.974  -5.768
  286    H    VAL  38           H        VAL  38 -10.059  -0.435  -5.631
  287    HA   VAL  38           HA       VAL  38 -10.152   1.042  -3.029
  288    HB   VAL  38           HB       VAL  38  -9.789   2.109  -5.850
  289   HG11  VAL  38          1HG1      VAL  38 -10.339   3.539  -3.234
  290   HG12  VAL  38          2HG1      VAL  38 -11.290   3.613  -4.718
  291   HG13  VAL  38          3HG1      VAL  38  -9.689   4.350  -4.661
  292   HG21  VAL  38          3HG2      VAL  38  -7.744   3.156  -4.685
  293   HG22  VAL  38          1HG2      VAL  38  -7.679   1.419  -4.985
  294   HG23  VAL  38          2HG2      VAL  38  -8.056   2.020  -3.371
  295    H    LYS  39           H        LYS  39 -12.243   1.899  -2.556
  296    HA   LYS  39           HA       LYS  39 -14.376   1.645  -4.612
  297    HB2  LYS  39           2HB      LYS  39 -13.825  -0.368  -2.809
  298    HB3  LYS  39           1HB      LYS  39 -15.081   0.540  -1.972
  299    HG2  LYS  39           2HG      LYS  39 -16.281  -1.030  -3.271
  300    HG3  LYS  39           1HG      LYS  39 -16.372   0.461  -4.208
  301    HD2  LYS  39           2HD      LYS  39 -15.795  -1.335  -5.725
  302    HD3  LYS  39           1HD      LYS  39 -14.366  -0.324  -5.515
  303    HE2  LYS  39           2HE      LYS  39 -13.390  -1.906  -3.951
  304    HE3  LYS  39           1HE      LYS  39 -14.882  -2.869  -3.933
  305    HZ1  LYS  39           3HZ      LYS  39 -14.633  -3.369  -6.229
  306    HZ2  LYS  39           1HZ      LYS  39 -13.133  -3.691  -5.507
  307    HZ3  LYS  39           2HZ      LYS  39 -13.351  -2.269  -6.410
  308    HA   PRO  40           HA       PRO  40 -15.585   5.347  -2.448
  309    HB2  PRO  40           2HB      PRO  40 -17.875   5.836  -3.855
  310    HB3  PRO  40           1HB      PRO  40 -16.258   6.154  -4.506
  311    HG2  PRO  40           2HG      PRO  40 -18.122   3.929  -5.084
  312    HG3  PRO  40           1HG      PRO  40 -16.951   4.725  -6.142
  313    HD2  PRO  40           2HD      PRO  40 -16.591   2.263  -4.920
  314    HD3  PRO  40           1HD      PRO  40 -15.295   3.286  -5.576
  315    H    TYR  41           H        TYR  41 -17.260   5.967  -0.906
  316    HA   TYR  41           HA       TYR  41 -19.398   3.957  -0.369
  317    HD1  TYR  41           HD1      TYR  41 -19.303   1.825   1.150
  318    HD2  TYR  41           HD2      TYR  41 -15.417   3.595   0.691
  319    HE1  TYR  41           HE1      TYR  41 -18.345  -0.408   0.659
  320    HE2  TYR  41           HE2      TYR  41 -14.459   1.361   0.200
  321    HH   TYR  41           HH       TYR  41 -16.343  -1.323  -0.559
  322    HB2  TYR  41           2HB      TYR  41 -17.222   4.906   1.501
  323    HB3  TYR  41           1HB      TYR  41 -18.689   4.136   2.079
  324    H    LEU  42           H        LEU  42 -20.448   4.962   1.880
  325    HA   LEU  42           HA       LEU  42 -20.892   7.884   1.487
  326    HG   LEU  42           HG       LEU  42 -23.234   8.635   1.834
  327    HB2  LEU  42           2HB      LEU  42 -22.501   6.163   0.269
  328    HB3  LEU  42           1HB      LEU  42 -23.222   6.033   1.871
  329   HD11  LEU  42          1HD1      LEU  42 -21.799   8.778  -0.211
  330   HD12  LEU  42          2HD1      LEU  42 -23.334   9.629  -0.388
  331   HD13  LEU  42          3HD1      LEU  42 -23.110   8.049  -1.140
  332   HD21  LEU  42          3HD2      LEU  42 -25.254   7.206   1.724
  333   HD22  LEU  42          1HD2      LEU  42 -25.047   7.057  -0.021
  334   HD23  LEU  42          2HD2      LEU  42 -25.419   8.627   0.692
  335    H    LYS  43           H        LYS  43 -21.979   8.872   3.363
  336    HA   LYS  43           HA       LYS  43 -21.846   7.252   5.878
  337    HB2  LYS  43           2HB      LYS  43 -19.932   8.977   5.167
  338    HB3  LYS  43           1HB      LYS  43 -21.077  10.145   5.823
  339    HG2  LYS  43           2HG      LYS  43 -20.361   9.620   7.892
  340    HG3  LYS  43           1HG      LYS  43 -21.003   7.993   7.663
  341    HD2  LYS  43           2HD      LYS  43 -18.946   7.105   7.112
  342    HD3  LYS  43           1HD      LYS  43 -18.358   8.617   6.422
  343    HE2  LYS  43           2HE      LYS  43 -18.887   8.405   9.391
  344    HE3  LYS  43           1HE      LYS  43 -17.345   7.859   8.702
  345    HZ1  LYS  43           3HZ      LYS  43 -17.184  10.188   9.256
  346    HZ2  LYS  43           1HZ      LYS  43 -18.577  10.546   8.358
  347    HZ3  LYS  43           2HZ      LYS  43 -17.168  10.020   7.565
  348    H    ARG  44           H        ARG  44 -22.940   8.700   7.695
  349    HA   ARG  44           HA       ARG  44 -25.655   8.890   7.403
  350    HE   ARG  44           HE       ARG  44 -27.651  10.034   7.950
  351    HB2  ARG  44           2HB      ARG  44 -23.694   9.706   9.242
  352    HB3  ARG  44           1HB      ARG  44 -24.682  11.138   8.962
  353    HG2  ARG  44           2HG      ARG  44 -26.134   8.562   9.336
  354    HG3  ARG  44           1HG      ARG  44 -25.358   9.252  10.762
  355    HD2  ARG  44           2HD      ARG  44 -27.334  10.428  10.913
  356    HD3  ARG  44           1HD      ARG  44 -26.552  11.482   9.720
  357   HH11  ARG  44          2HH1      ARG  44 -28.686   7.903   9.782
  358   HH12  ARG  44          1HH1      ARG  44 -30.342   8.365   9.983
  359   HH21  ARG  44          1HH2      ARG  44 -29.855  11.599   8.806
  360   HH22  ARG  44          2HH2      ARG  44 -31.007  10.466   9.430
  361    H    PHE  45           H        PHE  45 -23.358  11.447   6.446
  362    HA   PHE  45           HA       PHE  45 -25.403  12.594   4.660
  363    HD1  PHE  45           HD2      PHE  45 -22.511  15.019   6.290
  364    HD2  PHE  45           HD1      PHE  45 -25.370  13.116   8.871
  365    HE1  PHE  45           HE2      PHE  45 -20.927  15.210   8.186
  366    HE2  PHE  45           HE1      PHE  45 -23.786  13.310  10.767
  367    HZ   PHE  45           HZ       PHE  45 -21.563  14.356  10.425
  368    HB2  PHE  45           2HB      PHE  45 -25.060  14.879   5.771
  369    HB3  PHE  45           1HB      PHE  45 -26.005  13.708   6.686
  370    H    GLN  46           H        GLN  46 -22.726  11.388   4.237
  371    HA   GLN  46           HA       GLN  46 -21.588  13.535   2.582
  372    HB2  GLN  46           2HB      GLN  46 -20.757  13.198   5.272
  373    HB3  GLN  46           1HB      GLN  46 -19.451  12.574   4.268
  374    HG2  GLN  46           2HG      GLN  46 -18.937  14.626   3.428
  375    HG3  GLN  46           1HG      GLN  46 -20.629  15.114   3.321
  376   HE21  GLN  46          1HE2      GLN  46 -21.326  16.597   4.882
  377   HE22  GLN  46          2HE2      GLN  46 -20.503  16.939   6.327
  378    H    VAL  47           H        VAL  47 -19.741  12.731   1.265
  379    HA   VAL  47           HA       VAL  47 -19.941   9.786   0.787
  380    HB   VAL  47           HB       VAL  47 -18.768  12.026  -0.903
  381   HG11  VAL  47          1HG1      VAL  47 -18.993  10.362  -2.732
  382   HG12  VAL  47          2HG1      VAL  47 -19.543   9.165  -1.560
  383   HG13  VAL  47          3HG1      VAL  47 -17.899   9.800  -1.468
  384   HG21  VAL  47          3HG2      VAL  47 -20.864  11.917  -2.180
  385   HG22  VAL  47          1HG2      VAL  47 -21.214  12.301  -0.493
  386   HG23  VAL  47          2HG2      VAL  47 -21.479  10.666  -1.100
  387    H    TYR  48           H        TYR  48 -18.079   8.490   0.932
  388    HA   TYR  48           HA       TYR  48 -15.483   9.840   1.524
  389    HD1  TYR  48           HD2      TYR  48 -14.199  10.235   3.788
  390    HD2  TYR  48           HD1      TYR  48 -18.408   9.547   4.285
  391    HE1  TYR  48           HE2      TYR  48 -14.360  12.255   5.218
  392    HE2  TYR  48           HE1      TYR  48 -18.569  11.566   5.713
  393    HH   TYR  48           HH       TYR  48 -16.400  12.901   7.260
  394    HB2  TYR  48           2HB      TYR  48 -17.074   7.917   3.210
  395    HB3  TYR  48           1HB      TYR  48 -15.317   7.962   3.353
  396    H    TYR  49           H        TYR  49 -13.766   8.810   0.562
  397    HA   TYR  49           HA       TYR  49 -14.334   6.357  -1.016
  398    HD1  TYR  49           HD2      TYR  49 -14.682   9.040  -2.839
  399    HD2  TYR  49           HD1      TYR  49 -11.869   5.821  -3.253
  400    HE1  TYR  49           HE2      TYR  49 -15.491   8.629  -5.147
  401    HE2  TYR  49           HE1      TYR  49 -12.677   5.410  -5.561
  402    HH   TYR  49           HH       TYR  49 -14.004   7.226  -7.394
  403    HB2  TYR  49           2HB      TYR  49 -12.780   8.765  -1.279
  404    HB3  TYR  49           1HB      TYR  49 -11.703   7.376  -1.410
  405    H    LYS  50           H        LYS  50 -13.404   4.395  -0.496
  406    HA   LYS  50           HA       LYS  50 -11.284   4.362   1.625
  407    HB2  LYS  50           2HB      LYS  50 -13.910   3.590   1.922
  408    HB3  LYS  50           1HB      LYS  50 -13.130   2.066   1.509
  409    HG2  LYS  50           2HG      LYS  50 -11.718   3.760   3.499
  410    HG3  LYS  50           1HG      LYS  50 -13.231   3.034   4.036
  411    HD2  LYS  50           2HD      LYS  50 -11.248   1.316   2.587
  412    HD3  LYS  50           1HD      LYS  50 -10.951   1.708   4.279
  413    HE2  LYS  50           2HE      LYS  50 -13.715   0.973   4.014
  414    HE3  LYS  50           1HE      LYS  50 -12.722  -0.278   3.242
  415    HZ1  LYS  50           3HZ      LYS  50 -12.388   0.831   5.982
  416    HZ2  LYS  50           1HZ      LYS  50 -11.262  -0.199   5.237
  417    HZ3  LYS  50           2HZ      LYS  50 -12.834  -0.755   5.568
  418    H    GLY  51           H        GLY  51  -9.848   2.494   1.473
  419    HA2  GLY  51           2HA      GLY  51 -10.058   0.843  -0.970
  420    HA3  GLY  51           1HA      GLY  51  -8.626   1.861  -0.825
  421    H    ARG  52           H        ARG  52  -8.809  -1.093  -0.840
  422    HA   ARG  52           HA       ARG  52  -7.227  -1.567   1.632
  423    HE   ARG  52           HE       ARG  52  -9.514  -6.278   1.531
  424    HB2  ARG  52           2HB      ARG  52  -9.739  -2.035   1.961
  425    HB3  ARG  52           1HB      ARG  52  -9.515  -3.387   0.850
  426    HG2  ARG  52           2HG      ARG  52  -7.645  -3.070   3.178
  427    HG3  ARG  52           1HG      ARG  52  -9.239  -3.775   3.441
  428    HD2  ARG  52           2HD      ARG  52  -7.692  -4.835   1.124
  429    HD3  ARG  52           1HD      ARG  52  -7.108  -5.275   2.739
  430   HH11  ARG  52          1HH2      ARG  52  -7.730  -6.783   4.181
  431   HH12  ARG  52          2HH2      ARG  52  -9.023  -6.901   5.327
  432   HH21  ARG  52          2HH1      ARG  52 -11.419  -5.661   3.130
  433   HH22  ARG  52          1HH1      ARG  52 -11.123  -6.269   4.725
  434    H    MET  53           H        MET  53  -5.540  -2.991   1.184
  435    HA   MET  53           HA       MET  53  -5.729  -4.662  -1.292
  436    HB2  MET  53           2HB      MET  53  -3.531  -3.902  -1.955
  437    HB3  MET  53           1HB      MET  53  -4.516  -2.481  -1.627
  438    HG2  MET  53           2HG      MET  53  -3.181  -1.826   0.080
  439    HG3  MET  53           1HG      MET  53  -3.108  -3.450   0.756
  440    HE1  MET  53           3HE      MET  53  -2.099  -5.260  -1.424
  441    HE2  MET  53           1HE      MET  53  -1.429  -5.231   0.213
  442    HE3  MET  53           2HE      MET  53  -0.354  -5.223  -1.183
  443    H    TRP  54           H        TRP  54  -4.435  -6.576  -1.239
  444    HA   TRP  54           HA       TRP  54  -2.942  -7.220   1.236
  445    HD1  TRP  54           HD1      TRP  54  -4.555 -10.887  -0.419
  446    HE1  TRP  54           HE1      TRP  54  -6.443 -11.204  -2.144
  447    HE3  TRP  54           HE3      TRP  54  -7.132  -6.536   0.282
  448    HZ2  TRP  54           HZ2      TRP  54  -8.743  -9.794  -3.103
  449    HZ3  TRP  54           HZ3      TRP  54  -9.162  -6.045  -1.051
  450    HH2  TRP  54           HH2      TRP  54  -9.971  -7.669  -2.743
  451    HB2  TRP  54           2HB      TRP  54  -4.306  -9.227   1.644
  452    HB3  TRP  54           1HB      TRP  54  -5.319  -7.788   1.675
  453    H    CYS  55           H        CYS  55  -2.233  -9.757   0.902
  454    HA   CYS  55           HA       CYS  55  -1.443 -10.071  -1.964
  455    HB2  CYS  55           2HB      CYS  55   0.222 -10.022   0.537
  456    HB3  CYS  55           1HB      CYS  55   0.800 -10.851  -0.905
  457    HA   PRO  56           HA       PRO  56  -3.117 -14.052  -0.494
  458    HB2  PRO  56           2HB      PRO  56  -4.260 -14.743  -2.883
  459    HB3  PRO  56           1HB      PRO  56  -5.063 -13.696  -1.697
  460    HG2  PRO  56           2HG      PRO  56  -3.675 -12.981  -4.219
  461    HG3  PRO  56           1HG      PRO  56  -5.092 -12.245  -3.459
  462    HD2  PRO  56           2HD      PRO  56  -2.539 -11.211  -3.362
  463    HD3  PRO  56           1HD      PRO  56  -3.829 -10.824  -2.219
  464    H    GLY  57           H        GLY  57  -0.894 -14.833  -0.382
  465    HA2  GLY  57           2HA      GLY  57  -0.008 -16.977  -1.659
  466    HA3  GLY  57           1HA      GLY  57   0.319 -15.785  -2.915
  467    H    TRP  58           H        TRP  58   1.217 -13.622  -1.434
  468    HA   TRP  58           HA       TRP  58   3.938 -14.393  -0.823
  469    HD1  TRP  58           HD1      TRP  58   5.648 -13.678   0.095
  470    HE1  TRP  58           HE1      TRP  58   7.566 -12.070   0.701
  471    HE3  TRP  58           HE3      TRP  58   3.352  -9.197  -0.769
  472    HZ2  TRP  58           HZ2      TRP  58   8.062  -9.260   0.814
  473    HZ3  TRP  58           HZ3      TRP  58   4.573  -7.072  -0.403
  474    HH2  TRP  58           HH2      TRP  58   6.924  -7.097   0.386
  475    HB2  TRP  58           2HB      TRP  58   3.119 -12.216  -1.801
  476    HB3  TRP  58           1HB      TRP  58   2.454 -11.813  -0.224
  477    H    THR  59           H        THR  59   1.397 -12.925   1.250
  478    HA   THR  59           HA       THR  59   2.217 -14.626   3.514
  479    HB   THR  59           HB       THR  59   3.816 -12.751   3.531
  480    HG1  THR  59           HG1      THR  59   3.579 -12.882   5.592
  481   HG21  THR  59          3HG2      THR  59   3.198 -10.702   2.853
  482   HG22  THR  59          1HG2      THR  59   2.077 -10.578   4.209
  483   HG23  THR  59          2HG2      THR  59   1.537 -11.266   2.678
  484    H    ALA  60           H        ALA  60   0.894 -13.090   5.507
  485    HA   ALA  60           HA       ALA  60  -1.931 -13.063   4.500
  486    HB1  ALA  60           3HB      ALA  60  -2.519 -14.023   6.694
  487    HB2  ALA  60           1HB      ALA  60  -0.827 -13.948   7.187
  488    HB3  ALA  60           2HB      ALA  60  -1.319 -15.031   5.884
  489    H    ILE  61           H        ILE  61  -0.382 -10.687   4.520
  490    HA   ILE  61           HA       ILE  61  -1.614  -9.189   6.804
  491    HB   ILE  61           HB       ILE  61   1.071  -9.642   6.347
  492   HG12  ILE  61          2HG1      ILE  61  -0.105  -7.162   7.640
  493   HG13  ILE  61          1HG1      ILE  61  -0.067  -8.754   8.399
  494   HG21  ILE  61          1HG2      ILE  61   0.457  -6.855   5.305
  495   HG22  ILE  61          2HG2      ILE  61   0.978  -8.207   4.300
  496   HG23  ILE  61          3HG2      ILE  61   2.057  -7.562   5.535
  497   HD11  ILE  61          3HD1      ILE  61   2.482  -7.600   7.315
  498   HD12  ILE  61          1HD1      ILE  61   2.248  -8.733   8.645
  499   HD13  ILE  61          2HD1      ILE  61   1.872  -7.023   8.866
  500    H    ARG  62           H        ARG  62  -2.321  -7.003   6.254
  501    HA   ARG  62           HA       ARG  62  -2.240  -6.196   3.421
  502    HE   ARG  62           HE       ARG  62  -6.637  -9.030   6.668
  503    HB2  ARG  62           2HB      ARG  62  -4.830  -5.986   3.559
  504    HB3  ARG  62           1HB      ARG  62  -4.133  -7.569   3.253
  505    HG2  ARG  62           2HG      ARG  62  -4.276  -7.211   6.087
  506    HG3  ARG  62           1HG      ARG  62  -5.840  -6.769   5.404
  507    HD2  ARG  62           2HD      ARG  62  -6.037  -8.909   4.280
  508    HD3  ARG  62           1HD      ARG  62  -4.378  -9.347   4.734
  509   HH11  ARG  62          1HH2      ARG  62  -5.474 -11.726   6.172
  510   HH12  ARG  62          2HH2      ARG  62  -4.326 -11.883   7.459
  511   HH21  ARG  62          2HH1      ARG  62  -4.281  -8.479   8.174
  512   HH22  ARG  62          1HH1      ARG  62  -3.648 -10.034   8.600
  513    H    GLY  63           H        GLY  63  -3.410  -4.076   3.119
  514    HA2  GLY  63           2HA      GLY  63  -3.475  -2.453   5.618
  515    HA3  GLY  63           1HA      GLY  63  -2.534  -1.891   4.238
  516    H    GLU  64           H        GLU  64  -4.836  -0.575   5.467
  517    HA   GLU  64           HA       GLU  64  -6.493  -0.291   3.024
  518    HB2  GLU  64           2HB      GLU  64  -8.524  -0.328   4.602
  519    HB3  GLU  64           1HB      GLU  64  -7.764  -1.875   4.265
  520    HG2  GLU  64           2HG      GLU  64  -6.603  -0.470   6.572
  521    HG3  GLU  64           1HG      GLU  64  -8.299  -0.895   6.774
  522    H    ALA  65           H        ALA  65  -7.621   1.762   2.956
  523    HA   ALA  65           HA       ALA  65  -6.877   3.754   5.052
  524    HB1  ALA  65           3HB      ALA  65  -6.472   4.141   2.072
  525    HB2  ALA  65           1HB      ALA  65  -5.189   3.638   3.172
  526    HB3  ALA  65           2HB      ALA  65  -5.946   5.219   3.364
  527    H    SER  66           H        SER  66  -8.158   5.781   4.834
  528    HA   SER  66           HA       SER  66 -10.573   5.624   3.104
  529    HG   SER  66           HG       SER  66 -10.059   4.282   6.289
  530    HB2  SER  66           2HB      SER  66 -10.895   6.233   6.026
  531    HB3  SER  66           1HB      SER  66 -12.085   5.617   4.890
  532    H    THR  67           H        THR  67 -11.202   7.638   2.431
  533    HA   THR  67           HA       THR  67 -10.873  10.085   3.908
  534    HB   THR  67           HB       THR  67  -8.493   9.601   3.417
  535    HG1  THR  67           HG1      THR  67  -8.097  11.596   2.287
  536   HG21  THR  67          3HG2      THR  67  -8.743   8.287   1.381
  537   HG22  THR  67          1HG2      THR  67  -7.723   9.686   1.047
  538   HG23  THR  67          2HG2      THR  67  -9.408   9.681   0.529
  539    H    ARG  68           H        ARG  68 -11.457  12.009   2.489
  540    HA   ARG  68           HA       ARG  68 -13.662  11.365   0.734
  541    HE   ARG  68           HE       ARG  68 -13.933  13.981   3.821
  542    HB2  ARG  68           2HB      ARG  68 -12.453  13.647   2.013
  543    HB3  ARG  68           1HB      ARG  68 -12.766  14.036   0.322
  544    HG2  ARG  68           2HG      ARG  68 -15.092  13.453   0.532
  545    HG3  ARG  68           1HG      ARG  68 -14.836  12.773   2.138
  546    HD2  ARG  68           2HD      ARG  68 -14.181  15.672   1.581
  547    HD3  ARG  68           1HD      ARG  68 -15.830  15.174   2.001
  548   HH11  ARG  68          1HH2      ARG  68 -13.301  17.012   3.534
  549   HH12  ARG  68          2HH2      ARG  68 -14.180  17.635   4.890
  550   HH21  ARG  68          2HH1      ARG  68 -16.032  14.731   5.358
  551   HH22  ARG  68          1HH1      ARG  68 -15.731  16.339   5.924
  552    H    SER  69           H        SER  69 -10.237  12.027   0.162
  553    HA   SER  69           HA       SER  69 -10.409  12.626  -2.646
  554    HG   SER  69           HG       SER  69  -7.322  11.913  -0.181
  555    HB2  SER  69           2HB      SER  69  -7.933  11.524  -2.305
  556    HB3  SER  69           1HB      SER  69  -8.334  13.181  -1.876
  557    H    GLN  70           H        GLN  70 -10.087  11.245  -4.443
  558    HA   GLN  70           HA       GLN  70 -11.063   8.493  -4.111
  559    HB2  GLN  70           2HB      GLN  70 -10.249  10.211  -6.479
  560    HB3  GLN  70           1HB      GLN  70 -10.902   8.580  -6.641
  561    HG2  GLN  70           2HG      GLN  70 -12.904   9.675  -6.745
  562    HG3  GLN  70           1HG      GLN  70 -12.762   9.679  -4.989
  563   HE21  GLN  70          1HE2      GLN  70 -13.058  11.721  -4.089
  564   HE22  GLN  70          2HE2      GLN  70 -12.696  13.189  -4.861
  565    H    SER  71           H        SER  71  -8.238   9.812  -5.907
  566    HA   SER  71           HA       SER  71  -6.817   7.278  -5.813
  567    HG   SER  71           HG       SER  71  -4.257   8.832  -7.547
  568    HB2  SER  71           2HB      SER  71  -6.699   9.234  -7.517
  569    HB3  SER  71           1HB      SER  71  -5.624  10.002  -6.351
  570    H    GLY  72           H        GLY  72  -7.019  10.078  -3.720
  571    HA2  GLY  72           2HA      GLY  72  -4.531   9.901  -2.359
  572    HA3  GLY  72           1HA      GLY  72  -6.017  10.536  -1.650
  573    H    VAL  73           H        VAL  73  -7.651   8.263  -1.691
  574    HA   VAL  73           HA       VAL  73  -6.799   6.844   0.638
  575    HB   VAL  73           HB       VAL  73  -9.138   7.201  -0.577
  576   HG11  VAL  73          1HG1      VAL  73  -9.916   5.223  -1.758
  577   HG12  VAL  73          2HG1      VAL  73  -8.352   4.438  -1.539
  578   HG13  VAL  73          3HG1      VAL  73  -8.489   5.857  -2.576
  579   HG21  VAL  73          3HG2      VAL  73  -8.469   4.627   0.871
  580   HG22  VAL  73          1HG2      VAL  73 -10.049   5.404   0.790
  581   HG23  VAL  73          2HG2      VAL  73  -8.729   6.182   1.662
  582    H    ALA  74           H        ALA  74  -6.504   6.077  -2.821
  583    HA   ALA  74           HA       ALA  74  -5.573   3.384  -2.570
  584    HB1  ALA  74           3HB      ALA  74  -4.920   3.688  -4.869
  585    HB2  ALA  74           1HB      ALA  74  -4.774   5.433  -4.656
  586    HB3  ALA  74           2HB      ALA  74  -6.364   4.671  -4.629
  587    H    GLY  75           H        GLY  75  -3.789   6.483  -2.726
  588    HA2  GLY  75           2HA      GLY  75  -1.173   5.373  -2.609
  589    HA3  GLY  75           1HA      GLY  75  -1.588   7.009  -2.101
  590    H    LYS  76           H        LYS  76  -3.465   6.219  -0.029
  591    HA   LYS  76           HA       LYS  76  -1.581   5.710   2.123
  592    HB2  LYS  76           2HB      LYS  76  -4.444   6.386   1.743
  593    HB3  LYS  76           1HB      LYS  76  -4.063   5.524   3.234
  594    HG2  LYS  76           2HG      LYS  76  -3.676   7.685   3.950
  595    HG3  LYS  76           1HG      LYS  76  -2.072   7.301   3.326
  596    HD2  LYS  76           2HD      LYS  76  -4.077   8.406   1.407
  597    HD3  LYS  76           1HD      LYS  76  -3.371   9.515   2.580
  598    HE2  LYS  76           2HE      LYS  76  -1.483   7.694   1.142
  599    HE3  LYS  76           1HE      LYS  76  -2.176   9.041   0.220
  600    HZ1  LYS  76           3HZ      LYS  76  -0.905   9.288   2.900
  601    HZ2  LYS  76           1HZ      LYS  76  -1.513  10.562   1.958
  602    HZ3  LYS  76           2HZ      LYS  76  -0.150   9.693   1.431
  603    H    THR  77           H        THR  77  -4.100   3.782   0.466
  604    HA   THR  77           HA       THR  77  -4.098   1.525   2.204
  605    HB   THR  77           HB       THR  77  -4.571   1.868  -0.775
  606    HG1  THR  77           HG1      THR  77  -6.394   1.446   1.349
  607   HG21  THR  77          3HG2      THR  77  -5.903  -0.333  -0.407
  608   HG22  THR  77          1HG2      THR  77  -4.859  -0.549   0.997
  609   HG23  THR  77          2HG2      THR  77  -4.156  -0.438  -0.616
  610    H    ALA  78           H        ALA  78  -1.984   2.388  -0.533
  611    HA   ALA  78           HA       ALA  78  -0.486  -0.119  -0.411
  612    HB1  ALA  78           3HB      ALA  78  -0.469   0.803  -2.543
  613    HB2  ALA  78           1HB      ALA  78   1.031   1.495  -1.923
  614    HB3  ALA  78           2HB      ALA  78  -0.448   2.458  -1.932
  615    H    LYS  79           H        LYS  79  -0.212   3.104   0.993
  616    HA   LYS  79           HA       LYS  79   2.546   2.741   1.857
  617    HB2  LYS  79           2HB      LYS  79   0.662   4.829   1.546
  618    HB3  LYS  79           1HB      LYS  79   1.023   4.768   3.260
  619    HG2  LYS  79           2HG      LYS  79   2.644   5.789   1.077
  620    HG3  LYS  79           1HG      LYS  79   2.865   5.994   2.807
  621    HD2  LYS  79           2HD      LYS  79   4.818   4.864   2.205
  622    HD3  LYS  79           1HD      LYS  79   3.780   3.529   2.704
  623    HE2  LYS  79           2HE      LYS  79   3.094   3.862   0.041
  624    HE3  LYS  79           1HE      LYS  79   4.840   4.159   0.037
  625    HZ1  LYS  79           3HZ      LYS  79   5.058   1.953   0.163
  626    HZ2  LYS  79           1HZ      LYS  79   3.420   1.712   0.517
  627    HZ3  LYS  79           2HZ      LYS  79   4.515   2.063   1.764
  628    H    ASP  80           H        ASP  80  -0.675   2.490   3.283
  629    HA   ASP  80           HA       ASP  80   0.239   2.023   5.989
  630    HB2  ASP  80           2HB      ASP  80  -2.332   1.597   4.447
  631    HB3  ASP  80           1HB      ASP  80  -2.192   1.168   6.148
  632    H    PHE  81           H        PHE  81  -0.415  -0.038   3.181
  633    HA   PHE  81           HA       PHE  81  -0.374  -2.555   4.612
  634    HD1  PHE  81           HD2      PHE  81  -0.925  -4.847   3.517
  635    HD2  PHE  81           HD1      PHE  81   1.583  -2.953   0.592
  636    HE1  PHE  81           HE2      PHE  81   0.043  -7.049   2.921
  637    HE2  PHE  81           HE1      PHE  81   2.552  -5.156  -0.002
  638    HZ   PHE  81           HZ       PHE  81   1.783  -7.205   1.162
  639    HB2  PHE  81           2HB      PHE  81  -1.401  -2.479   2.460
  640    HB3  PHE  81           1HB      PHE  81  -0.007  -1.673   1.739
  641    H    VAL  82           H        VAL  82   2.109  -0.657   2.859
  642    HA   VAL  82           HA       VAL  82   4.218  -2.599   3.297
  643    HB   VAL  82           HB       VAL  82   4.154   0.347   2.545
  644   HG11  VAL  82          1HG1      VAL  82   6.564  -0.378   1.690
  645   HG12  VAL  82          2HG1      VAL  82   6.446  -1.525   3.024
  646   HG13  VAL  82          3HG1      VAL  82   6.331   0.207   3.339
  647   HG21  VAL  82          3HG2      VAL  82   4.179  -0.372   0.353
  648   HG22  VAL  82          1HG2      VAL  82   3.333  -1.743   1.073
  649   HG23  VAL  82          2HG2      VAL  82   5.062  -1.849   0.737
  650    H    ARG  83           H        ARG  83   2.943   0.150   5.113
  651    HA   ARG  83           HA       ARG  83   5.141   0.291   7.020
  652    HE   ARG  83           HE       ARG  83   4.005   5.193   7.610
  653    HB2  ARG  83           2HB      ARG  83   2.793   1.727   6.331
  654    HB3  ARG  83           1HB      ARG  83   2.597   1.244   8.013
  655    HG2  ARG  83           2HG      ARG  83   3.872   3.062   8.478
  656    HG3  ARG  83           1HG      ARG  83   5.223   2.048   7.972
  657    HD2  ARG  83           2HD      ARG  83   5.626   3.663   6.412
  658    HD3  ARG  83           1HD      ARG  83   4.211   3.014   5.559
  659   HH11  ARG  83          1HH2      ARG  83   1.522   3.740   6.605
  660   HH12  ARG  83          2HH2      ARG  83   0.970   4.827   5.374
  661   HH21  ARG  83          2HH1      ARG  83   3.988   6.552   5.190
  662   HH22  ARG  83          1HH1      ARG  83   2.372   6.436   4.581
  663    H    LYS  84           H        LYS  84   1.956  -1.333   6.921
  664    HA   LYS  84           HA       LYS  84   2.030  -2.329   9.629
  665    HB2  LYS  84           2HB      LYS  84   0.366  -2.475   7.267
  666    HB3  LYS  84           1HB      LYS  84   0.545  -4.085   7.963
  667    HG2  LYS  84           2HG      LYS  84  -0.893  -3.551   9.607
  668    HG3  LYS  84           1HG      LYS  84   0.159  -2.228  10.108
  669    HD2  LYS  84           2HD      LYS  84  -1.873  -1.149   9.587
  670    HD3  LYS  84           1HD      LYS  84  -0.902  -0.916   8.135
  671    HE2  LYS  84           2HE      LYS  84  -2.099  -2.541   6.917
  672    HE3  LYS  84           1HE      LYS  84  -2.725  -3.312   8.386
  673    HZ1  LYS  84           3HZ      LYS  84  -3.895  -1.193   8.874
  674    HZ2  LYS  84           1HZ      LYS  84  -4.459  -1.959   7.469
  675    HZ3  LYS  84           2HZ      LYS  84  -3.426  -0.613   7.349
  676    H    ALA  85           H        ALA  85   3.189  -3.614   6.517
  677    HA   ALA  85           HA       ALA  85   3.938  -6.219   7.555
  678    HB1  ALA  85           3HB      ALA  85   5.320  -6.153   5.368
  679    HB2  ALA  85           1HB      ALA  85   4.605  -4.562   5.113
  680    HB3  ALA  85           2HB      ALA  85   3.571  -5.987   5.210
  681    H    PHE  86           H        PHE  86   5.556  -3.080   7.211
  682    HA   PHE  86           HA       PHE  86   8.229  -3.953   7.835
  683    HD1  PHE  86           HD1      PHE  86  10.016  -2.252   9.083
  684    HD2  PHE  86           HD2      PHE  86   8.321  -1.082   5.311
  685    HE1  PHE  86           HE1      PHE  86  12.295  -1.937   8.155
  686    HE2  PHE  86           HE2      PHE  86  10.600  -0.769   4.385
  687    HZ   PHE  86           HZ       PHE  86  12.587  -1.196   5.808
  688    HB2  PHE  86           2HB      PHE  86   6.900  -1.611   7.076
  689    HB3  PHE  86           1HB      PHE  86   7.507  -1.243   8.689
  690    H    GLN  87           H        GLN  87   5.505  -2.776   9.809
  691    HA   GLN  87           HA       GLN  87   6.878  -2.638  12.324
  692    HB2  GLN  87           2HB      GLN  87   3.987  -3.114  11.530
  693    HB3  GLN  87           1HB      GLN  87   4.498  -2.798  13.188
  694    HG2  GLN  87           2HG      GLN  87   5.299  -0.923  10.970
  695    HG3  GLN  87           1HG      GLN  87   3.707  -0.790  11.715
  696   HE21  GLN  87          1HE2      GLN  87   3.684  -0.455  14.141
  697   HE22  GLN  87          2HE2      GLN  87   4.999   0.340  14.864
  698    H    LYS  88           H        LYS  88   5.089  -5.271  10.708
  699    HA   LYS  88           HA       LYS  88   5.366  -7.160  12.901
  700    HB2  LYS  88           2HB      LYS  88   4.615  -7.284   9.972
  701    HB3  LYS  88           1HB      LYS  88   4.696  -8.743  10.960
  702    HG2  LYS  88           2HG      LYS  88   3.196  -6.488  12.161
  703    HG3  LYS  88           1HG      LYS  88   2.459  -7.203  10.727
  704    HD2  LYS  88           2HD      LYS  88   3.502  -9.006  12.891
  705    HD3  LYS  88           1HD      LYS  88   1.943  -8.212  13.110
  706    HE2  LYS  88           2HE      LYS  88   1.003  -9.280  11.200
  707    HE3  LYS  88           1HE      LYS  88   2.598  -9.759  10.587
  708    HZ1  LYS  88           3HZ      LYS  88   2.885 -11.045  12.686
  709    HZ2  LYS  88           1HZ      LYS  88   1.659 -11.645  11.679
  710    HZ3  LYS  88           2HZ      LYS  88   1.255 -10.733  13.054
  711    H    GLY  89           H        GLY  89   6.879  -7.041   9.648
  712    HA2  GLY  89           2HA      GLY  89   9.476  -7.178   9.877
  713    HA3  GLY  89           1HA      GLY  89   9.107  -8.698  10.687
  714    H    LEU  90           H        LEU  90   7.873  -7.123   7.703
  715    HA   LEU  90           HA       LEU  90   8.488  -9.678   6.264
  716    HG   LEU  90           HG       LEU  90   6.046 -10.132   7.483
  717    HB2  LEU  90           2HB      LEU  90   6.075  -7.936   6.432
  718    HB3  LEU  90           1HB      LEU  90   6.424  -8.653   4.860
  719   HD11  LEU  90          1HD1      LEU  90   4.008 -10.864   6.621
  720   HD12  LEU  90          2HD1      LEU  90   4.504 -10.599   4.950
  721   HD13  LEU  90          3HD1      LEU  90   4.078  -9.225   5.971
  722   HD21  LEU  90          3HD2      LEU  90   7.085 -11.002   4.790
  723   HD22  LEU  90          1HD2      LEU  90   6.197 -12.142   5.802
  724   HD23  LEU  90          2HD2      LEU  90   7.690 -11.415   6.395
  725    H    ILE  91           H        ILE  91   7.718  -6.232   5.566
  726    HA   ILE  91           HA       ILE  91   9.467  -6.346   3.184
  727    HB   ILE  91           HB       ILE  91   7.439  -4.423   4.334
  728   HG12  ILE  91          2HG1      ILE  91   7.485  -5.451   1.521
  729   HG13  ILE  91          1HG1      ILE  91   7.051  -6.577   2.806
  730   HG21  ILE  91          1HG2      ILE  91   9.558  -3.917   2.274
  731   HG22  ILE  91          2HG2      ILE  91   8.887  -2.818   3.479
  732   HG23  ILE  91          3HG2      ILE  91   7.961  -3.212   2.032
  733   HD11  ILE  91          3HD1      ILE  91   5.623  -4.238   3.399
  734   HD12  ILE  91          1HD1      ILE  91   4.965  -5.728   2.718
  735   HD13  ILE  91          2HD1      ILE  91   5.481  -4.422   1.650
  736    H    SER  92           H        SER  92  11.595  -5.916   3.503
  737    HA   SER  92           HA       SER  92  12.450  -4.165   5.756
  738    HG   SER  92           HG       SER  92  14.909  -5.558   6.426
  739    HB2  SER  92           2HB      SER  92  13.372  -6.479   5.371
  740    HB3  SER  92           1HB      SER  92  14.062  -5.898   3.860
  741    H    GLN  93           H        GLN  93  14.691  -3.005   4.990
  742    HA   GLN  93           HA       GLN  93  13.894  -0.955   3.084
  743    HB2  GLN  93           2HB      GLN  93  16.243  -1.603   4.832
  744    HB3  GLN  93           1HB      GLN  93  16.462  -0.410   3.550
  745    HG2  GLN  93           2HG      GLN  93  15.187   1.141   4.608
  746    HG3  GLN  93           1HG      GLN  93  13.988  -0.049   5.111
  747   HE21  GLN  93          1HE2      GLN  93  14.631  -1.449   7.040
  748   HE22  GLN  93          2HE2      GLN  93  15.662  -0.779   8.210
  749    H    GLN  94           H        GLN  94  16.524  -3.397   3.093
  750    HA   GLN  94           HA       GLN  94  17.426  -2.896   0.420
  751    HB2  GLN  94           2HB      GLN  94  17.558  -5.288   2.279
  752    HB3  GLN  94           1HB      GLN  94  18.432  -5.213   0.751
  753    HG2  GLN  94           2HG      GLN  94  18.708  -2.958   2.720
  754    HG3  GLN  94           1HG      GLN  94  19.629  -4.443   2.962
  755   HE21  GLN  94          1HE2      GLN  94  21.390  -4.883   1.510
  756   HE22  GLN  94          2HE2      GLN  94  21.880  -3.786   0.310
  757    H    GLU  95           H        GLU  95  15.055  -5.214   1.738
  758    HA   GLU  95           HA       GLU  95  14.479  -6.712  -0.599
  759    HB2  GLU  95           2HB      GLU  95  13.565  -6.460   2.021
  760    HB3  GLU  95           1HB      GLU  95  12.157  -6.016   1.058
  761    HG2  GLU  95           2HG      GLU  95  12.486  -8.128  -0.271
  762    HG3  GLU  95           1HG      GLU  95  13.752  -8.586   0.870
  763    H    ALA  96           H        ALA  96  13.003  -3.663   0.556
  764    HA   ALA  96           HA       ALA  96  11.163  -3.340  -1.630
  765    HB1  ALA  96           3HB      ALA  96  12.467  -1.081  -0.113
  766    HB2  ALA  96           1HB      ALA  96  11.380  -2.194   0.717
  767    HB3  ALA  96           2HB      ALA  96  10.789  -1.230  -0.636
  768    H    ASN  97           H        ASN  97  14.509  -2.262  -1.087
  769    HA   ASN  97           HA       ASN  97  14.792  -0.652  -3.448
  770    HB2  ASN  97           2HB      ASN  97  16.249  -0.903  -1.307
  771    HB3  ASN  97           1HB      ASN  97  16.977  -2.278  -2.139
  772   HD21  ASN  97          1HD2      ASN  97  18.441  -1.840  -3.872
  773   HD22  ASN  97          2HD2      ASN  97  18.861  -0.268  -4.352
  774    H    GLN  98           H        GLN  98  15.281  -4.122  -2.813
  775    HA   GLN  98           HA       GLN  98  16.423  -4.785  -5.367
  776    HB2  GLN  98           2HB      GLN  98  14.953  -6.246  -3.170
  777    HB3  GLN  98           1HB      GLN  98  15.416  -7.093  -4.647
  778    HG2  GLN  98           2HG      GLN  98  17.665  -6.976  -4.178
  779    HG3  GLN  98           1HG      GLN  98  17.515  -5.440  -3.327
  780   HE21  GLN  98          1HE2      GLN  98  18.285  -5.884  -1.232
  781   HE22  GLN  98          2HE2      GLN  98  17.740  -7.167  -0.264
  782    H    TRP  99           H        TRP  99  13.061  -4.705  -4.150
  783    HA   TRP  99           HA       TRP  99  11.811  -5.674  -6.553
  784    HD1  TRP  99           HD1      TRP  99   9.858  -6.653  -6.859
  785    HE1  TRP  99           HE1      TRP  99   7.477  -6.268  -7.770
  786    HE3  TRP  99           HE3      TRP  99   8.614  -2.388  -4.332
  787    HZ2  TRP  99           HZ2      TRP  99   5.334  -4.412  -7.461
  788    HZ3  TRP  99           HZ3      TRP  99   6.394  -1.342  -4.660
  789    HH2  TRP  99           HH2      TRP  99   4.754  -2.344  -6.222
  790    HB2  TRP  99           2HB      TRP  99  10.811  -5.459  -4.237
  791    HB3  TRP  99           1HB      TRP  99  10.733  -3.716  -4.496
  792    H    LEU 100           H        LEU 100  12.584  -2.396  -5.368
  793    HA   LEU 100           HA       LEU 100  11.432  -0.828  -7.423
  794    HG   LEU 100           HG       LEU 100  11.317  -0.152  -5.023
  795    HB2  LEU 100           2HB      LEU 100  13.824  -0.587  -5.608
  796    HB3  LEU 100           1HB      LEU 100  13.578   0.629  -6.858
  797   HD11  LEU 100          1HD1      LEU 100  13.613   0.691  -3.916
  798   HD12  LEU 100          2HD1      LEU 100  12.041   1.217  -3.317
  799   HD13  LEU 100          3HD1      LEU 100  12.965   2.258  -4.401
  800   HD21  LEU 100          3HD2      LEU 100  11.119   1.275  -7.183
  801   HD22  LEU 100          1HD2      LEU 100  11.938   2.533  -6.258
  802   HD23  LEU 100          2HD2      LEU 100  10.382   1.909  -5.711
  803    H    SER 101           H        SER 101  14.533  -2.576  -7.360
  804    HA   SER 101           HA       SER 101  15.357  -1.635 -10.006
  805    HG   SER 101           HG       SER 101  17.446  -3.582 -10.427
  806    HB2  SER 101           2HB      SER 101  16.774  -2.405  -7.956
  807    HB3  SER 101           1HB      SER 101  16.424  -4.037  -8.517
  808    H    SER 102           HN       SER 102  14.040  -4.666  -8.634
  809    HA   SER 102           HA       SER 102  12.795  -5.357 -11.200
  810    HG   SER 102           HG       SER 102  13.429  -8.269 -11.183
  811    HB2  SER 102           2HB      SER 102  15.202  -6.072 -11.382
  812    HB3  SER 102           1HB      SER 102  14.950  -7.125  -9.992
  Start of MODEL    8
    1    HA   GLU   1           HA       GLU   1  24.035  17.804  13.785
    2    H1   GLU   1           1H       GLU   1  22.479  18.702  11.411
    3    H2   GLU   1           2H       GLU   1  23.438  17.299  11.421
    4    H3   GLU   1           3H       GLU   1  24.155  18.822  11.646
    5    HB2  GLU   1           2HB      GLU   1  23.338  20.255  13.271
    6    HB3  GLU   1           1HB      GLU   1  21.694  19.703  13.593
    7    HG2  GLU   1           2HG      GLU   1  23.225  18.661  15.702
    8    HG3  GLU   1           1HG      GLU   1  23.826  20.303  15.474
    9    H    ALA   2           H        ALA   2  20.684  18.103  12.491
   10    HA   ALA   2           HA       ALA   2  19.566  16.228  14.398
   11    HB1  ALA   2           3HB      ALA   2  17.596  16.418  12.836
   12    HB2  ALA   2           1HB      ALA   2  18.617  17.351  11.743
   13    HB3  ALA   2           2HB      ALA   2  18.243  17.977  13.348
   14    H    TYR   3           H        TYR   3  18.978  14.035  14.051
   15    HA   TYR   3           HA       TYR   3  20.376  12.687  11.766
   16    HD1  TYR   3           HD1      TYR   3  22.506  10.984  12.507
   17    HD2  TYR   3           HD2      TYR   3  20.904  13.344  15.720
   18    HE1  TYR   3           HE1      TYR   3  24.802  11.655  13.161
   19    HE2  TYR   3           HE2      TYR   3  23.200  14.015  16.372
   20    HH   TYR   3           HH       TYR   3  25.566  14.156  14.876
   21    HB2  TYR   3           2HB      TYR   3  19.500  11.792  14.531
   22    HB3  TYR   3           1HB      TYR   3  20.164  10.691  13.326
   23    H    VAL   4           H        VAL   4  19.195  11.229  10.460
   24    HA   VAL   4           HA       VAL   4  16.278  10.910  11.043
   25    HB   VAL   4           HB       VAL   4  16.685  12.820   9.498
   26   HG11  VAL   4          1HG1      VAL   4  17.842  10.726   7.632
   27   HG12  VAL   4          2HG1      VAL   4  18.803  11.910   8.517
   28   HG13  VAL   4          3HG1      VAL   4  17.650  12.446   7.296
   29   HG21  VAL   4          3HG2      VAL   4  14.700  11.171   9.308
   30   HG22  VAL   4          1HG2      VAL   4  15.540  10.532   7.894
   31   HG23  VAL   4          2HG2      VAL   4  15.022  12.217   7.925
   32    H    GLN   5           H        GLN   5  15.503   8.864  10.543
   33    HA   GLN   5           HA       GLN   5  17.462   6.800   9.779
   34    HB2  GLN   5           2HB      GLN   5  14.580   6.900  10.678
   35    HB3  GLN   5           1HB      GLN   5  15.292   5.391  10.106
   36    HG2  GLN   5           2HG      GLN   5  16.329   5.084  12.079
   37    HG3  GLN   5           1HG      GLN   5  17.107   6.662  11.949
   38   HE21  GLN   5          1HE2      GLN   5  15.025   4.921  13.915
   39   HE22  GLN   5          2HE2      GLN   5  14.202   6.215  14.644
   40    H    GLY   6           H        GLY   6  14.458   8.192   8.412
   41    HA2  GLY   6           2HA      GLY   6  13.939   8.417   6.099
   42    HA3  GLY   6           1HA      GLY   6  15.345   7.429   5.712
   43    H    TRP   7           H        TRP   7  13.729   5.782   8.114
   44    HA   TRP   7           HA       TRP   7  12.900   3.613   6.479
   45    HD1  TRP   7           HD1      TRP   7  15.229   3.677   8.483
   46    HE1  TRP   7           HE1      TRP   7  16.209   1.324   8.881
   47    HE3  TRP   7           HE3      TRP   7  10.914   1.015   9.114
   48    HZ2  TRP   7           HZ2      TRP   7  15.285  -1.331   9.398
   49    HZ3  TRP   7           HZ3      TRP   7  10.995  -1.420   9.560
   50    HH2  TRP   7           HH2      TRP   7  13.173  -2.597   9.703
   51    HB2  TRP   7           2HB      TRP   7  12.590   4.556   9.274
   52    HB3  TRP   7           1HB      TRP   7  11.360   3.414   8.737
   53    H    GLU   8           H        GLU   8  10.929   6.222   7.946
   54    HA   GLU   8           HA       GLU   8   8.398   5.426   6.912
   55    HB2  GLU   8           2HB      GLU   8   9.424   7.416   8.512
   56    HB3  GLU   8           1HB      GLU   8   8.952   8.325   7.077
   57    HG2  GLU   8           2HG      GLU   8   6.795   8.219   7.702
   58    HG3  GLU   8           1HG      GLU   8   6.865   6.458   7.679
   59    H    ALA   9           H        ALA   9  10.954   7.465   5.492
   60    HA   ALA   9           HA       ALA   9   9.516   8.288   3.156
   61    HB1  ALA   9           3HB      ALA   9  11.618   9.290   4.051
   62    HB2  ALA   9           1HB      ALA   9  11.768   8.861   2.348
   63    HB3  ALA   9           2HB      ALA   9  12.487   7.829   3.582
   64    H    VAL  10           H        VAL  10  11.582   5.458   3.826
   65    HA   VAL  10           HA       VAL  10  11.574   4.392   1.156
   66    HB   VAL  10           HB       VAL  10  11.904   3.161   3.913
   67   HG11  VAL  10          1HG1      VAL  10  11.269   1.352   2.466
   68   HG12  VAL  10          2HG1      VAL  10  13.025   1.283   2.611
   69   HG13  VAL  10          3HG1      VAL  10  12.287   1.957   1.160
   70   HG21  VAL  10          3HG2      VAL  10  13.609   4.827   3.214
   71   HG22  VAL  10          1HG2      VAL  10  13.908   3.889   1.751
   72   HG23  VAL  10          2HG2      VAL  10  14.295   3.207   3.330
   73    H    ALA  11           H        ALA  11   9.441   3.889   3.970
   74    HA   ALA  11           HA       ALA  11   7.759   1.876   2.814
   75    HB1  ALA  11           3HB      ALA  11   7.216   4.047   4.870
   76    HB2  ALA  11           1HB      ALA  11   7.846   2.435   5.211
   77    HB3  ALA  11           2HB      ALA  11   6.199   2.629   4.613
   78    H    ALA  12           H        ALA  12   7.607   5.440   2.766
   79    HA   ALA  12           HA       ALA  12   5.079   5.695   1.447
   80    HB1  ALA  12           3HB      ALA  12   7.428   7.560   1.102
   81    HB2  ALA  12           1HB      ALA  12   6.617   7.413   2.661
   82    HB3  ALA  12           2HB      ALA  12   5.719   7.968   1.249
   83    H    ALA  13           H        ALA  13   8.417   5.415   0.205
   84    HA   ALA  13           HA       ALA  13   7.820   5.766  -2.573
   85    HB1  ALA  13           3HB      ALA  13  10.065   5.751  -1.326
   86    HB2  ALA  13           1HB      ALA  13  10.041   4.906  -2.875
   87    HB3  ALA  13           2HB      ALA  13   9.960   3.990  -1.370
   88    H    VAL  14           H        VAL  14   7.899   2.866  -0.490
   89    HA   VAL  14           HA       VAL  14   7.396   0.917  -2.531
   90    HB   VAL  14           HB       VAL  14   6.634   0.971   0.411
   91   HG11  VAL  14          1HG1      VAL  14   5.532  -0.828  -0.933
   92   HG12  VAL  14          2HG1      VAL  14   6.654  -1.460   0.272
   93   HG13  VAL  14          3HG1      VAL  14   7.131  -1.391  -1.422
   94   HG21  VAL  14          3HG2      VAL  14   8.970  -0.603  -0.335
   95   HG22  VAL  14          1HG2      VAL  14   8.817   0.642   0.903
   96   HG23  VAL  14          2HG2      VAL  14   9.176   1.094  -0.763
   97    H    ALA  15           H        ALA  15   5.211   2.854  -0.475
   98    HA   ALA  15           HA       ALA  15   2.740   1.698  -1.352
   99    HB1  ALA  15           3HB      ALA  15   2.764   3.039   0.618
  100    HB2  ALA  15           1HB      ALA  15   1.898   4.017  -0.566
  101    HB3  ALA  15           2HB      ALA  15   3.588   4.365  -0.203
  102    H    SER  16           H        SER  16   4.695   4.417  -2.576
  103    HA   SER  16           HA       SER  16   2.895   5.307  -4.621
  104    HG   SER  16           HG       SER  16   5.236   7.664  -3.896
  105    HB2  SER  16           2HB      SER  16   5.905   5.391  -4.271
  106    HB3  SER  16           1HB      SER  16   5.071   6.236  -5.572
  107    H    LYS  17           H        LYS  17   5.468   2.834  -4.579
  108    HA   LYS  17           HA       LYS  17   5.472   2.189  -7.360
  109    HB2  LYS  17           2HB      LYS  17   6.915   1.432  -5.231
  110    HB3  LYS  17           1HB      LYS  17   5.800   0.069  -5.277
  111    HG2  LYS  17           2HG      LYS  17   6.630   0.542  -7.950
  112    HG3  LYS  17           1HG      LYS  17   8.081   0.550  -6.952
  113    HD2  LYS  17           2HD      LYS  17   7.916  -1.667  -6.489
  114    HD3  LYS  17           1HD      LYS  17   6.171  -1.584  -6.263
  115    HE2  LYS  17           2HE      LYS  17   6.014  -2.675  -8.255
  116    HE3  LYS  17           1HE      LYS  17   6.493  -1.141  -9.005
  117    HZ1  LYS  17           3HZ      LYS  17   7.938  -3.233  -9.412
  118    HZ2  LYS  17           1HZ      LYS  17   8.540  -2.937  -7.853
  119    HZ3  LYS  17           2HZ      LYS  17   8.710  -1.758  -9.068
  120    H    ILE  18           H        ILE  18   3.432   1.069  -4.659
  121    HA   ILE  18           HA       ILE  18   2.023  -0.975  -6.109
  122    HB   ILE  18           HB       ILE  18   1.432   0.697  -3.653
  123   HG12  ILE  18          2HG1      ILE  18   2.261  -2.186  -4.118
  124   HG13  ILE  18          1HG1      ILE  18   3.240  -0.908  -3.402
  125   HG21  ILE  18          1HG2      ILE  18  -0.295  -1.299  -3.328
  126   HG22  ILE  18          2HG2      ILE  18  -0.273  -1.306  -5.092
  127   HG23  ILE  18          3HG2      ILE  18  -0.752   0.152  -4.222
  128   HD11  ILE  18          3HD1      ILE  18   0.617  -1.415  -2.100
  129   HD12  ILE  18          1HD1      ILE  18   2.182  -1.042  -1.376
  130   HD13  ILE  18          2HD1      ILE  18   1.831  -2.682  -1.922
  131    H    VAL  19           H        VAL  19   1.530   2.525  -5.747
  132    HA   VAL  19           HA       VAL  19  -1.115   2.685  -6.821
  133    HB   VAL  19           HB       VAL  19   1.259   4.546  -6.634
  134   HG11  VAL  19          1HG1      VAL  19  -1.477   5.153  -7.794
  135   HG12  VAL  19          2HG1      VAL  19   0.072   5.267  -8.632
  136   HG13  VAL  19          3HG1      VAL  19  -0.305   6.382  -7.319
  137   HG21  VAL  19          3HG2      VAL  19   0.057   4.012  -4.561
  138   HG22  VAL  19          1HG2      VAL  19  -1.474   4.459  -5.314
  139   HG23  VAL  19          2HG2      VAL  19  -0.247   5.688  -5.014
  140    H    GLY  20           H        GLY  20   2.074   3.056  -8.449
  141    HA2  GLY  20           2HA      GLY  20   0.831   3.152 -11.098
  142    HA3  GLY  20           1HA      GLY  20   2.560   3.108 -10.767
  143    H    LEU  21           H        LEU  21   1.725   0.594  -8.985
  144    HA   LEU  21           HA       LEU  21   2.144  -1.350 -11.192
  145    HG   LEU  21           HG       LEU  21   2.005  -3.701  -9.711
  146    HB2  LEU  21           2HB      LEU  21   3.652  -1.234  -9.216
  147    HB3  LEU  21           1HB      LEU  21   2.283  -1.595  -8.168
  148   HD11  LEU  21          1HD1      LEU  21   3.963  -4.466 -10.808
  149   HD12  LEU  21          2HD1      LEU  21   4.979  -3.270 -10.005
  150   HD13  LEU  21          3HD1      LEU  21   3.846  -2.765 -11.259
  151   HD21  LEU  21          3HD2      LEU  21   3.324  -3.164  -7.265
  152   HD22  LEU  21          1HD2      LEU  21   4.386  -4.253  -8.159
  153   HD23  LEU  21          2HD2      LEU  21   2.719  -4.721  -7.829
  154    H    TRP  22           H        TRP  22  -0.290  -0.357  -8.874
  155    HA   TRP  22           HA       TRP  22  -1.853  -2.758  -8.787
  156    HD1  TRP  22           HD1      TRP  22  -4.080  -3.262  -7.882
  157    HE1  TRP  22           HE1      TRP  22  -6.626  -2.890  -7.815
  158    HE3  TRP  22           HE3      TRP  22  -4.243   1.834  -8.177
  159    HZ2  TRP  22           HZ2      TRP  22  -8.490  -0.727  -7.878
  160    HZ3  TRP  22           HZ3      TRP  22  -6.417   3.023  -8.171
  161    HH2  TRP  22           HH2      TRP  22  -8.540   1.749  -8.021
  162    HB2  TRP  22           2HB      TRP  22  -2.112  -1.061  -7.116
  163    HB3  TRP  22           1HB      TRP  22  -2.380   0.191  -8.328
  164    H    ARG  23           H        ARG  23  -3.253  -3.574 -10.265
  165    HA   ARG  23           HA       ARG  23  -3.798  -2.057 -12.771
  166    HE   ARG  23           HE       ARG  23  -2.123  -5.424 -15.737
  167    HB2  ARG  23           2HB      ARG  23  -2.867  -4.554 -12.319
  168    HB3  ARG  23           1HB      ARG  23  -4.593  -4.907 -12.342
  169    HG2  ARG  23           2HG      ARG  23  -4.605  -3.473 -14.529
  170    HG3  ARG  23           1HG      ARG  23  -2.866  -3.763 -14.528
  171    HD2  ARG  23           2HD      ARG  23  -3.871  -6.290 -14.027
  172    HD3  ARG  23           1HD      ARG  23  -5.055  -5.620 -15.166
  173   HH11  ARG  23          2HH1      ARG  23  -3.227  -8.018 -16.604
  174   HH12  ARG  23          1HH1      ARG  23  -3.785  -7.690 -18.210
  175   HH21  ARG  23          1HH2      ARG  23  -3.754  -4.237 -17.794
  176   HH22  ARG  23          2HH2      ARG  23  -4.087  -5.538 -18.887
  177    H    ASN  24           H        ASN  24  -6.221  -3.392 -13.469
  178    HA   ASN  24           HA       ASN  24  -8.254  -1.821 -12.384
  179    HB2  ASN  24           2HB      ASN  24  -8.044  -4.471 -13.728
  180    HB3  ASN  24           1HB      ASN  24  -9.583  -4.116 -12.946
  181   HD21  ASN  24          1HD2      ASN  24  -8.301  -3.984 -15.921
  182   HD22  ASN  24          2HD2      ASN  24  -9.027  -2.572 -16.523
  183    H    GLU  25           H        GLU  25  -7.200  -5.043 -11.219
  184    HA   GLU  25           HA       GLU  25  -8.010  -4.383  -8.474
  185    HB2  GLU  25           2HB      GLU  25  -9.695  -6.200  -8.360
  186    HB3  GLU  25           1HB      GLU  25 -10.142  -4.985  -9.556
  187    HG2  GLU  25           2HG      GLU  25  -8.556  -6.820 -10.971
  188    HG3  GLU  25           1HG      GLU  25  -9.577  -7.817  -9.937
  189    H    LYS  26           H        LYS  26  -5.527  -5.225  -9.787
  190    HA   LYS  26           HA       LYS  26  -4.850  -7.524  -8.053
  191    HB2  LYS  26           2HB      LYS  26  -5.842  -8.288 -10.309
  192    HB3  LYS  26           1HB      LYS  26  -4.370  -7.648 -11.038
  193    HG2  LYS  26           2HG      LYS  26  -3.207  -9.110  -9.138
  194    HG3  LYS  26           1HG      LYS  26  -4.719 -10.011  -9.233
  195    HD2  LYS  26           2HD      LYS  26  -3.575 -11.120 -10.890
  196    HD3  LYS  26           1HD      LYS  26  -4.210  -9.793 -11.863
  197    HE2  LYS  26           2HE      LYS  26  -1.885  -9.837 -12.388
  198    HE3  LYS  26           1HE      LYS  26  -2.024  -8.535 -11.193
  199    HZ1  LYS  26           3HZ      LYS  26  -1.761 -11.157 -10.016
  200    HZ2  LYS  26           1HZ      LYS  26  -0.925  -9.723  -9.663
  201    HZ3  LYS  26           2HZ      LYS  26  -0.414 -10.706 -10.949
  202    H    THR  27           H        THR  27  -2.501  -7.754  -7.847
  203    HA   THR  27           HA       THR  27  -0.763  -5.872  -9.309
  204    HB   THR  27           HB       THR  27  -1.919  -4.644  -7.395
  205    HG1  THR  27           HG1      THR  27  -0.166  -3.591  -7.892
  206   HG21  THR  27          3HG2      THR  27  -0.009  -6.103  -5.591
  207   HG22  THR  27          1HG2      THR  27  -1.623  -6.748  -5.882
  208   HG23  THR  27          2HG2      THR  27  -1.430  -5.149  -5.163
  209    H    GLU  28           H        GLU  28   1.505  -6.355  -8.952
  210    HA   GLU  28           HA       GLU  28   1.974  -9.038  -7.690
  211    HB2  GLU  28           2HB      GLU  28   3.097  -7.623 -10.118
  212    HB3  GLU  28           1HB      GLU  28   3.911  -9.016  -9.407
  213    HG2  GLU  28           2HG      GLU  28   2.549 -10.292 -10.685
  214    HG3  GLU  28           1HG      GLU  28   1.267  -9.849  -9.563
  215    H    LEU  29           H        LEU  29   2.926  -8.626  -5.700
  216    HA   LEU  29           HA       LEU  29   4.975  -6.440  -5.554
  217    HG   LEU  29           HG       LEU  29   1.729  -6.933  -4.635
  218    HB2  LEU  29           2HB      LEU  29   3.507  -7.781  -3.273
  219    HB3  LEU  29           1HB      LEU  29   4.332  -6.229  -3.255
  220   HD11  LEU  29          1HD1      LEU  29   1.772  -6.262  -2.199
  221   HD12  LEU  29          2HD1      LEU  29   0.805  -5.209  -3.233
  222   HD13  LEU  29          3HD1      LEU  29   2.410  -4.698  -2.709
  223   HD21  LEU  29          3HD2      LEU  29   2.259  -4.178  -4.981
  224   HD22  LEU  29          1HD2      LEU  29   2.204  -5.412  -6.237
  225   HD23  LEU  29          2HD2      LEU  29   3.737  -5.007  -5.470
  226    H    LEU  30           H        LEU  30   7.095  -7.066  -5.187
  227    HA   LEU  30           HA       LEU  30   8.953  -8.428  -4.647
  228    HG   LEU  30           HG       LEU  30   9.917  -9.611  -3.122
  229    HB2  LEU  30           2HB      LEU  30   7.279  -8.472  -2.536
  230    HB3  LEU  30           1HB      LEU  30   7.200 -10.176  -2.972
  231   HD11  LEU  30          1HD1      LEU  30  10.269  -7.747  -1.887
  232   HD12  LEU  30          2HD1      LEU  30   9.815  -8.716  -0.487
  233   HD13  LEU  30          3HD1      LEU  30   8.605  -7.730  -1.305
  234   HD21  LEU  30          3HD2      LEU  30   9.101 -11.656  -2.194
  235   HD22  LEU  30          1HD2      LEU  30   8.179 -10.809  -0.954
  236   HD23  LEU  30          2HD2      LEU  30   9.939 -10.843  -0.873
  237    H    GLY  31           H        GLY  31   7.112  -9.167  -6.908
  238    HA2  GLY  31           2HA      GLY  31   7.048 -10.913  -8.488
  239    HA3  GLY  31           1HA      GLY  31   8.224 -11.777  -7.498
  240    H    HIS  32           H        HIS  32   5.296 -10.674  -5.960
  241    HA   HIS  32           HA       HIS  32   4.259 -13.485  -5.943
  242    HD1  HIS  32           HD1      HIS  32   5.514 -14.789  -4.777
  243    HD2  HIS  32           HD2      HIS  32   6.519 -11.640  -2.239
  244    HE1  HIS  32           HE1      HIS  32   7.725 -15.407  -3.711
  245    HB2  HIS  32           2HB      HIS  32   4.289 -11.299  -3.839
  246    HB3  HIS  32           1HB      HIS  32   3.449 -12.831  -3.650
  247    H    GLU  33           H        GLU  33   1.870 -13.618  -5.734
  248    HA   GLU  33           HA       GLU  33   0.530 -11.514  -7.307
  249    HB2  GLU  33           2HB      GLU  33   0.175 -14.333  -6.608
  250    HB3  GLU  33           1HB      GLU  33  -1.339 -13.432  -6.520
  251    HG2  GLU  33           2HG      GLU  33   0.042 -12.571  -8.868
  252    HG3  GLU  33           1HG      GLU  33   0.050 -14.334  -8.857
  253    H    CYS  34           H        CYS  34  -0.606  -9.880  -6.397
  254    HA   CYS  34           HA       CYS  34  -1.658 -10.204  -3.610
  255    HB2  CYS  34           2HB      CYS  34  -0.061  -8.011  -4.915
  256    HB3  CYS  34           1HB      CYS  34  -1.088  -7.662  -3.529
  257    H    LYS  35           H        LYS  35  -3.441  -8.577  -3.187
  258    HA   LYS  35           HA       LYS  35  -4.941  -7.905  -5.692
  259    HB2  LYS  35           2HB      LYS  35  -5.647  -9.965  -4.321
  260    HB3  LYS  35           1HB      LYS  35  -6.185  -8.818  -3.095
  261    HG2  LYS  35           2HG      LYS  35  -8.139  -8.850  -4.271
  262    HG3  LYS  35           1HG      LYS  35  -7.297  -7.725  -5.337
  263    HD2  LYS  35           2HD      LYS  35  -6.567  -9.583  -6.760
  264    HD3  LYS  35           1HD      LYS  35  -7.344 -10.738  -5.677
  265    HE2  LYS  35           2HE      LYS  35  -9.448 -10.263  -6.471
  266    HE3  LYS  35           1HE      LYS  35  -9.082  -8.539  -6.685
  267    HZ1  LYS  35           3HZ      LYS  35  -8.078 -10.765  -8.386
  268    HZ2  LYS  35           1HZ      LYS  35  -7.642  -9.134  -8.556
  269    HZ3  LYS  35           2HZ      LYS  35  -9.247  -9.616  -8.831
  270    H    PHE  36           H        PHE  36  -4.747  -5.701  -5.720
  271    HA   PHE  36           HA       PHE  36  -5.275  -4.161  -3.203
  272    HD1  PHE  36           HD1      PHE  36  -5.435  -1.208  -5.519
  273    HD2  PHE  36           HD2      PHE  36  -2.476  -2.514  -2.693
  274    HE1  PHE  36           HE1      PHE  36  -5.360   1.069  -4.547
  275    HE2  PHE  36           HE2      PHE  36  -2.405  -0.238  -1.719
  276    HZ   PHE  36           HZ       PHE  36  -3.847   1.553  -2.645
  277    HB2  PHE  36           2HB      PHE  36  -3.103  -3.930  -4.491
  278    HB3  PHE  36           1HB      PHE  36  -4.039  -3.317  -5.847
  279    H    THR  37           H        THR  37  -7.136  -2.812  -3.179
  280    HA   THR  37           HA       THR  37  -8.529  -2.295  -5.767
  281    HB   THR  37           HB       THR  37 -10.657  -3.135  -4.679
  282    HG1  THR  37           HG1      THR  37 -10.504  -4.257  -2.817
  283   HG21  THR  37          3HG2      THR  37  -8.550  -5.293  -4.833
  284   HG22  THR  37          1HG2      THR  37  -9.149  -4.464  -6.270
  285   HG23  THR  37          2HG2      THR  37 -10.255  -5.401  -5.267
  286    H    VAL  38           H        VAL  38 -10.013  -0.541  -5.684
  287    HA   VAL  38           HA       VAL  38 -10.009   1.102  -3.173
  288    HB   VAL  38           HB       VAL  38  -9.851   1.998  -6.077
  289   HG11  VAL  38          1HG1      VAL  38  -9.944   3.530  -3.463
  290   HG12  VAL  38          2HG1      VAL  38 -11.082   3.637  -4.807
  291   HG13  VAL  38          3HG1      VAL  38  -9.439   4.253  -4.991
  292   HG21  VAL  38          3HG2      VAL  38  -7.822   1.913  -3.826
  293   HG22  VAL  38          1HG2      VAL  38  -7.598   2.886  -5.279
  294   HG23  VAL  38          2HG2      VAL  38  -7.710   1.130  -5.402
  295    H    LYS  39           H        LYS  39 -12.098   1.699  -2.528
  296    HA   LYS  39           HA       LYS  39 -14.305   1.412  -4.517
  297    HB2  LYS  39           2HB      LYS  39 -15.552   0.401  -2.460
  298    HB3  LYS  39           1HB      LYS  39 -14.415  -0.616  -3.335
  299    HG2  LYS  39           2HG      LYS  39 -13.379   1.013  -1.043
  300    HG3  LYS  39           1HG      LYS  39 -14.334  -0.422  -0.677
  301    HD2  LYS  39           2HD      LYS  39 -12.353  -0.931  -2.764
  302    HD3  LYS  39           1HD      LYS  39 -11.609  -0.378  -1.265
  303    HE2  LYS  39           2HE      LYS  39 -11.759  -2.602  -0.695
  304    HE3  LYS  39           1HE      LYS  39 -13.430  -2.171  -0.286
  305    HZ1  LYS  39           3HZ      LYS  39 -14.209  -2.893  -2.340
  306    HZ2  LYS  39           1HZ      LYS  39 -13.068  -4.082  -1.937
  307    HZ3  LYS  39           2HZ      LYS  39 -12.671  -2.870  -3.061
  308    HA   PRO  40           HA       PRO  40 -15.173   5.380  -2.621
  309    HB2  PRO  40           2HB      PRO  40 -17.025   6.167  -4.465
  310    HB3  PRO  40           1HB      PRO  40 -15.278   6.249  -4.756
  311    HG2  PRO  40           2HG      PRO  40 -17.270   4.305  -5.758
  312    HG3  PRO  40           1HG      PRO  40 -15.796   4.910  -6.525
  313    HD2  PRO  40           2HD      PRO  40 -16.073   2.439  -5.287
  314    HD3  PRO  40           1HD      PRO  40 -14.533   3.244  -5.657
  315    H    TYR  41           H        TYR  41 -17.028   6.249  -1.457
  316    HA   TYR  41           HA       TYR  41 -19.483   4.549  -1.397
  317    HD1  TYR  41           HD1      TYR  41 -19.816   2.520  -0.398
  318    HD2  TYR  41           HD2      TYR  41 -15.987   3.758   1.103
  319    HE1  TYR  41           HE1      TYR  41 -18.989   0.190  -0.584
  320    HE2  TYR  41           HE2      TYR  41 -15.162   1.428   0.914
  321    HH   TYR  41           HH       TYR  41 -16.774  -1.092   0.871
  322    HB2  TYR  41           2HB      TYR  41 -17.695   5.336   0.913
  323    HB3  TYR  41           1HB      TYR  41 -19.324   4.726   1.132
  324    H    LEU  42           H        LEU  42 -20.884   5.781   0.511
  325    HA   LEU  42           HA       LEU  42 -20.759   8.720   0.107
  326    HG   LEU  42           HG       LEU  42 -22.087   9.928  -0.857
  327    HB2  LEU  42           2HB      LEU  42 -22.166   7.248  -1.628
  328    HB3  LEU  42           1HB      LEU  42 -23.376   7.352  -0.351
  329   HD11  LEU  42          1HD1      LEU  42 -21.943   9.045  -3.152
  330   HD12  LEU  42          2HD1      LEU  42 -23.163  10.315  -3.049
  331   HD13  LEU  42          3HD1      LEU  42 -23.655   8.622  -3.103
  332   HD21  LEU  42          3HD2      LEU  42 -24.253  10.720  -0.535
  333   HD22  LEU  42          1HD2      LEU  42 -24.333   9.188   0.334
  334   HD23  LEU  42          2HD2      LEU  42 -24.992   9.311  -1.297
  335    H    LYS  43           H        LYS  43 -22.217   9.866   1.595
  336    HA   LYS  43           HA       LYS  43 -23.120   8.244   3.949
  337    HB2  LYS  43           2HB      LYS  43 -20.884   9.695   3.953
  338    HB3  LYS  43           1HB      LYS  43 -22.015  11.019   4.221
  339    HG2  LYS  43           2HG      LYS  43 -21.959  10.462   6.411
  340    HG3  LYS  43           1HG      LYS  43 -22.891   9.032   5.972
  341    HD2  LYS  43           2HD      LYS  43 -21.140   7.666   6.357
  342    HD3  LYS  43           1HD      LYS  43 -20.062   8.670   5.388
  343    HE2  LYS  43           2HE      LYS  43 -19.978  10.274   7.393
  344    HE3  LYS  43           1HE      LYS  43 -20.737   8.971   8.328
  345    HZ1  LYS  43           3HZ      LYS  43 -18.252   8.713   6.713
  346    HZ2  LYS  43           1HZ      LYS  43 -18.985   7.471   7.606
  347    HZ3  LYS  43           2HZ      LYS  43 -18.316   8.811   8.409
  348    H    ARG  44           H        ARG  44 -24.578   9.799   5.372
  349    HA   ARG  44           HA       ARG  44 -26.994  10.378   4.187
  350    HE   ARG  44           HE       ARG  44 -25.949   8.172   6.588
  351    HB2  ARG  44           2HB      ARG  44 -25.477  11.404   6.535
  352    HB3  ARG  44           1HB      ARG  44 -26.930  12.294   6.082
  353    HG2  ARG  44           2HG      ARG  44 -28.249  10.693   6.952
  354    HG3  ARG  44           1HG      ARG  44 -27.453   9.454   5.983
  355    HD2  ARG  44           2HD      ARG  44 -25.964  10.494   8.365
  356    HD3  ARG  44           1HD      ARG  44 -27.327   9.396   8.656
  357   HH11  ARG  44          1HH2      ARG  44 -23.673   9.720   8.093
  358   HH12  ARG  44          2HH2      ARG  44 -23.044   8.434   9.068
  359   HH21  ARG  44          2HH1      ARG  44 -25.772   6.346   8.540
  360   HH22  ARG  44          1HH1      ARG  44 -24.235   6.517   9.319
  361    H    PHE  45           H        PHE  45 -24.194  12.569   4.311
  362    HA   PHE  45           HA       PHE  45 -25.256  14.088   2.019
  363    HD1  PHE  45           HD2      PHE  45 -25.044  17.017   1.726
  364    HD2  PHE  45           HD1      PHE  45 -27.960  15.117   4.246
  365    HE1  PHE  45           HE2      PHE  45 -26.861  18.176   0.500
  366    HE2  PHE  45           HE1      PHE  45 -29.776  16.277   3.019
  367    HZ   PHE  45           HZ       PHE  45 -29.226  17.806   1.146
  368    HB2  PHE  45           2HB      PHE  45 -25.669  14.874   4.733
  369    HB3  PHE  45           1HB      PHE  45 -24.492  15.990   4.042
  370    H    GLN  46           H        GLN  46 -22.951  12.442   2.180
  371    HA   GLN  46           HA       GLN  46 -20.844  14.383   1.505
  372    HB2  GLN  46           2HB      GLN  46 -21.105  13.211   4.148
  373    HB3  GLN  46           1HB      GLN  46 -19.580  12.729   3.407
  374    HG2  GLN  46           2HG      GLN  46 -20.351  15.594   3.131
  375    HG3  GLN  46           1HG      GLN  46 -19.855  15.053   4.735
  376   HE21  GLN  46          1HE2      GLN  46 -17.678  15.633   4.967
  377   HE22  GLN  46          2HE2      GLN  46 -16.477  15.363   3.798
  378    H    VAL  47           H        VAL  47 -18.768  13.164   0.916
  379    HA   VAL  47           HA       VAL  47 -19.408  10.451  -0.209
  380    HB   VAL  47           HB       VAL  47 -17.657  12.677  -1.315
  381   HG11  VAL  47          1HG1      VAL  47 -17.801  11.162  -3.389
  382   HG12  VAL  47          2HG1      VAL  47 -18.358   9.901  -2.288
  383   HG13  VAL  47          3HG1      VAL  47 -16.757  10.613  -2.078
  384   HG21  VAL  47          3HG2      VAL  47 -20.433  11.689  -2.032
  385   HG22  VAL  47          1HG2      VAL  47 -19.462  12.689  -3.113
  386   HG23  VAL  47          2HG2      VAL  47 -19.965  13.318  -1.545
  387    H    TYR  48           H        TYR  48 -17.961   8.844   0.379
  388    HA   TYR  48           HA       TYR  48 -15.354   9.694   1.596
  389    HD1  TYR  48           HD2      TYR  48 -14.833   9.772   4.240
  390    HD2  TYR  48           HD1      TYR  48 -19.014   9.352   3.341
  391    HE1  TYR  48           HE2      TYR  48 -15.358  11.611   5.816
  392    HE2  TYR  48           HE1      TYR  48 -19.536  11.192   4.916
  393    HH   TYR  48           HH       TYR  48 -17.793  13.365   5.845
  394    HB2  TYR  48           2HB      TYR  48 -17.458   7.735   2.542
  395    HB3  TYR  48           1HB      TYR  48 -15.804   7.687   3.152
  396    H    TYR  49           H        TYR  49 -13.666   8.749   0.526
  397    HA   TYR  49           HA       TYR  49 -14.199   6.404  -1.221
  398    HD1  TYR  49           HD2      TYR  49 -15.049   8.797  -1.892
  399    HD2  TYR  49           HD1      TYR  49 -11.612   7.449  -4.086
  400    HE1  TYR  49           HE2      TYR  49 -16.185   9.363  -4.023
  401    HE2  TYR  49           HE1      TYR  49 -12.742   8.024  -6.214
  402    HH   TYR  49           HH       TYR  49 -14.965   8.370  -7.088
  403    HB2  TYR  49           2HB      TYR  49 -12.253   8.657  -1.056
  404    HB3  TYR  49           1HB      TYR  49 -11.668   7.156  -1.769
  405    H    LYS  50           H        LYS  50 -13.380   4.392  -0.726
  406    HA   LYS  50           HA       LYS  50 -11.434   4.206   1.552
  407    HB2  LYS  50           2HB      LYS  50 -14.072   3.090   1.089
  408    HB3  LYS  50           1HB      LYS  50 -12.891   1.804   1.326
  409    HG2  LYS  50           2HG      LYS  50 -12.378   3.897   3.228
  410    HG3  LYS  50           1HG      LYS  50 -14.084   3.456   3.310
  411    HD2  LYS  50           2HD      LYS  50 -13.262   1.009   3.324
  412    HD3  LYS  50           1HD      LYS  50 -11.672   1.679   3.692
  413    HE2  LYS  50           2HE      LYS  50 -12.321   2.424   5.800
  414    HE3  LYS  50           1HE      LYS  50 -14.022   2.595   5.328
  415    HZ1  LYS  50           3HZ      LYS  50 -14.199   0.199   5.157
  416    HZ2  LYS  50           1HZ      LYS  50 -13.669   0.624   6.711
  417    HZ3  LYS  50           2HZ      LYS  50 -12.563   0.013   5.577
  418    H    GLY  51           H        GLY  51 -10.094   2.188   1.441
  419    HA2  GLY  51           2HA      GLY  51  -9.901   0.836  -1.152
  420    HA3  GLY  51           1HA      GLY  51  -8.531   1.875  -0.771
  421    H    ARG  52           H        ARG  52  -9.078  -1.208  -0.866
  422    HA   ARG  52           HA       ARG  52  -7.560  -1.779   1.645
  423    HE   ARG  52           HE       ARG  52 -10.344  -6.081   4.032
  424    HB2  ARG  52           2HB      ARG  52 -10.048  -2.189   1.848
  425    HB3  ARG  52           1HB      ARG  52  -9.889  -3.403   0.578
  426    HG2  ARG  52           2HG      ARG  52  -8.829  -4.897   1.950
  427    HG3  ARG  52           1HG      ARG  52  -7.980  -3.634   2.840
  428    HD2  ARG  52           2HD      ARG  52  -9.491  -3.917   4.509
  429    HD3  ARG  52           1HD      ARG  52 -10.724  -3.254   3.419
  430   HH11  ARG  52          1HH2      ARG  52 -12.874  -4.438   3.223
  431   HH12  ARG  52          2HH2      ARG  52 -13.275  -5.226   1.734
  432   HH21  ARG  52          2HH1      ARG  52 -10.199  -6.815   1.441
  433   HH22  ARG  52          1HH1      ARG  52 -11.756  -6.577   0.722
  434    H    MET  53           H        MET  53  -6.024  -3.453   1.402
  435    HA   MET  53           HA       MET  53  -5.972  -4.923  -1.193
  436    HB2  MET  53           2HB      MET  53  -3.706  -4.255  -1.610
  437    HB3  MET  53           1HB      MET  53  -4.595  -2.787  -1.228
  438    HG2  MET  53           2HG      MET  53  -2.884  -2.426   0.234
  439    HG3  MET  53           1HG      MET  53  -3.778  -3.541   1.262
  440    HE1  MET  53           3HE      MET  53  -0.790  -4.094  -1.817
  441    HE2  MET  53           1HE      MET  53   0.189  -3.601  -0.429
  442    HE3  MET  53           2HE      MET  53  -1.193  -2.629  -0.925
  443    H    TRP  54           H        TRP  54  -4.926  -6.950  -1.068
  444    HA   TRP  54           HA       TRP  54  -3.671  -7.793   1.474
  445    HD1  TRP  54           HD1      TRP  54  -6.009 -11.075  -0.446
  446    HE1  TRP  54           HE1      TRP  54  -7.905 -10.798  -2.172
  447    HE3  TRP  54           HE3      TRP  54  -7.465  -6.290   0.599
  448    HZ2  TRP  54           HZ2      TRP  54  -9.785  -8.806  -3.000
  449    HZ3  TRP  54           HZ3      TRP  54  -9.305  -5.229  -0.675
  450    HH2  TRP  54           HH2      TRP  54 -10.468  -6.481  -2.472
  451    HB2  TRP  54           2HB      TRP  54  -5.309  -9.688   1.681
  452    HB3  TRP  54           1HB      TRP  54  -6.037  -8.103   1.919
  453    H    CYS  55           H        CYS  55  -2.316  -9.622   1.203
  454    HA   CYS  55           HA       CYS  55  -1.979 -10.519  -1.634
  455    HB2  CYS  55           2HB      CYS  55  -0.087 -10.227   0.706
  456    HB3  CYS  55           1HB      CYS  55   0.376 -11.000  -0.806
  457    HA   PRO  56           HA       PRO  56  -3.278 -14.318   0.576
  458    HB2  PRO  56           2HB      PRO  56  -4.833 -15.302  -1.449
  459    HB3  PRO  56           1HB      PRO  56  -5.432 -14.142  -0.248
  460    HG2  PRO  56           2HG      PRO  56  -4.624 -13.701  -3.062
  461    HG3  PRO  56           1HG      PRO  56  -5.861 -12.885  -2.097
  462    HD2  PRO  56           2HD      PRO  56  -3.347 -11.869  -2.675
  463    HD3  PRO  56           1HD      PRO  56  -4.401 -11.310  -1.371
  464    H    GLY  57           H        GLY  57  -0.975 -14.896   0.264
  465    HA2  GLY  57           2HA      GLY  57  -0.326 -17.225  -0.939
  466    HA3  GLY  57           1HA      GLY  57  -0.200 -16.113  -2.302
  467    H    TRP  58           H        TRP  58   0.869 -13.860  -1.107
  468    HA   TRP  58           HA       TRP  58   3.666 -14.555  -0.844
  469    HD1  TRP  58           HD1      TRP  58   5.399 -13.627   0.201
  470    HE1  TRP  58           HE1      TRP  58   7.206 -11.861   0.696
  471    HE3  TRP  58           HE3      TRP  58   2.865  -9.384  -1.087
  472    HZ2  TRP  58           HZ2      TRP  58   7.538  -9.024   0.562
  473    HZ3  TRP  58           HZ3      TRP  58   3.951  -7.166  -0.896
  474    HH2  TRP  58           HH2      TRP  58   6.282  -6.979  -0.074
  475    HB2  TRP  58           2HB      TRP  58   2.816 -12.469  -1.848
  476    HB3  TRP  58           1HB      TRP  58   2.108 -12.002  -0.309
  477    H    THR  59           H        THR  59   1.418 -12.980   1.465
  478    HA   THR  59           HA       THR  59   2.572 -14.521   3.701
  479    HB   THR  59           HB       THR  59   4.115 -12.626   3.352
  480    HG1  THR  59           HG1      THR  59   4.140 -12.774   5.436
  481   HG21  THR  59          3HG2      THR  59   2.464 -10.433   4.143
  482   HG22  THR  59          1HG2      THR  59   1.687 -11.234   2.777
  483   HG23  THR  59          2HG2      THR  59   3.342 -10.646   2.629
  484    H    ALA  60           H        ALA  60   1.508 -12.877   5.753
  485    HA   ALA  60           HA       ALA  60  -1.434 -12.996   5.176
  486    HB1  ALA  60           3HB      ALA  60  -1.618 -13.626   7.580
  487    HB2  ALA  60           1HB      ALA  60   0.138 -13.536   7.720
  488    HB3  ALA  60           2HB      ALA  60  -0.602 -14.757   6.684
  489    H    ILE  61           H        ILE  61  -0.083 -10.616   4.620
  490    HA   ILE  61           HA       ILE  61  -0.878  -8.838   6.903
  491    HB   ILE  61           HB       ILE  61   1.422  -8.726   4.927
  492   HG12  ILE  61          2HG1      ILE  61   1.396  -8.606   7.959
  493   HG13  ILE  61          1HG1      ILE  61   1.623 -10.095   7.044
  494   HG21  ILE  61          1HG2      ILE  61   0.507  -6.468   5.099
  495   HG22  ILE  61          2HG2      ILE  61   2.012  -6.552   6.013
  496   HG23  ILE  61          3HG2      ILE  61   0.465  -6.589   6.857
  497   HD11  ILE  61          3HD1      ILE  61   3.611  -9.136   5.951
  498   HD12  ILE  61          1HD1      ILE  61   3.795  -9.112   7.704
  499   HD13  ILE  61          2HD1      ILE  61   3.381  -7.631   6.841
  500    H    ARG  62           H        ARG  62  -1.920  -6.843   6.277
  501    HA   ARG  62           HA       ARG  62  -2.611  -6.559   3.395
  502    HE   ARG  62           HE       ARG  62  -5.482  -6.977   8.512
  503    HB2  ARG  62           2HB      ARG  62  -4.989  -6.057   4.255
  504    HB3  ARG  62           1HB      ARG  62  -4.479  -7.739   4.239
  505    HG2  ARG  62           2HG      ARG  62  -3.981  -7.665   6.619
  506    HG3  ARG  62           1HG      ARG  62  -4.298  -5.929   6.666
  507    HD2  ARG  62           2HD      ARG  62  -6.664  -6.429   5.891
  508    HD3  ARG  62           1HD      ARG  62  -6.304  -8.148   6.150
  509   HH11  ARG  62          2HH1      ARG  62  -7.772  -8.773   8.653
  510   HH12  ARG  62          1HH1      ARG  62  -9.080  -7.738   9.114
  511   HH21  ARG  62          1HH2      ARG  62  -7.421  -4.810   8.243
  512   HH22  ARG  62          2HH2      ARG  62  -8.880  -5.487   8.887
  513    H    GLY  63           H        GLY  63  -3.732  -4.413   3.014
  514    HA2  GLY  63           2HA      GLY  63  -2.887  -2.314   4.953
  515    HA3  GLY  63           1HA      GLY  63  -2.411  -2.163   3.265
  516    H    GLU  64           H        GLU  64  -4.539  -0.925   5.318
  517    HA   GLU  64           HA       GLU  64  -6.737  -0.777   3.288
  518    HB2  GLU  64           2HB      GLU  64  -6.764  -0.765   6.316
  519    HB3  GLU  64           1HB      GLU  64  -8.181  -0.412   5.335
  520    HG2  GLU  64           2HG      GLU  64  -8.556  -2.651   5.425
  521    HG3  GLU  64           1HG      GLU  64  -7.301  -2.746   4.192
  522    H    ALA  65           H        ALA  65  -8.038   1.289   3.535
  523    HA   ALA  65           HA       ALA  65  -6.755   3.616   4.766
  524    HB1  ALA  65           3HB      ALA  65  -5.341   3.099   2.769
  525    HB2  ALA  65           1HB      ALA  65  -6.108   4.683   2.667
  526    HB3  ALA  65           2HB      ALA  65  -6.759   3.327   1.747
  527    H    SER  66           H        SER  66  -8.032   5.563   4.511
  528    HA   SER  66           HA       SER  66 -10.557   5.457   2.985
  529    HG   SER  66           HG       SER  66 -10.689   3.401   4.969
  530    HB2  SER  66           2HB      SER  66 -10.917   6.074   5.869
  531    HB3  SER  66           1HB      SER  66 -11.996   5.234   4.766
  532    H    THR  67           H        THR  67 -11.025   7.509   2.311
  533    HA   THR  67           HA       THR  67 -10.704   9.900   3.886
  534    HB   THR  67           HB       THR  67  -8.305   9.234   3.423
  535    HG1  THR  67           HG1      THR  67  -7.963  11.284   3.512
  536   HG21  THR  67          3HG2      THR  67  -7.421   9.428   1.190
  537   HG22  THR  67          1HG2      THR  67  -8.967  10.010   0.572
  538   HG23  THR  67          2HG2      THR  67  -8.807   8.340   1.116
  539    H    ARG  68           H        ARG  68 -10.654  11.893   2.141
  540    HA   ARG  68           HA       ARG  68 -13.002  11.433   0.435
  541    HE   ARG  68           HE       ARG  68 -10.275  14.625   3.118
  542    HB2  ARG  68           2HB      ARG  68 -12.953  13.838   0.205
  543    HB3  ARG  68           1HB      ARG  68 -12.569  13.458   1.880
  544    HG2  ARG  68           2HG      ARG  68 -10.119  13.625   1.253
  545    HG3  ARG  68           1HG      ARG  68 -10.636  14.250  -0.312
  546    HD2  ARG  68           2HD      ARG  68 -10.577  16.294   0.704
  547    HD3  ARG  68           1HD      ARG  68 -12.101  15.795   1.466
  548   HH11  ARG  68          1HH2      ARG  68  -8.155  16.498   2.286
  549   HH12  ARG  68          2HH2      ARG  68  -8.374  17.840   3.358
  550   HH21  ARG  68          2HH1      ARG  68 -11.593  16.905   4.282
  551   HH22  ARG  68          1HH1      ARG  68 -10.332  18.072   4.495
  552    H    SER  69           H        SER  69  -9.561  12.171  -0.029
  553    HA   SER  69           HA       SER  69  -9.654  12.484  -2.890
  554    HG   SER  69           HG       SER  69  -7.311  12.476   0.079
  555    HB2  SER  69           2HB      SER  69  -7.167  11.430  -1.716
  556    HB3  SER  69           1HB      SER  69  -7.440  12.930  -2.595
  557    H    GLN  70           H        GLN  70  -9.580  10.949  -4.497
  558    HA   GLN  70           HA       GLN  70  -9.994   8.147  -3.835
  559    HB2  GLN  70           2HB      GLN  70 -10.183   7.908  -6.271
  560    HB3  GLN  70           1HB      GLN  70 -11.065   9.336  -5.737
  561    HG2  GLN  70           2HG      GLN  70  -9.135  10.754  -6.366
  562    HG3  GLN  70           1HG      GLN  70  -8.276   9.322  -6.934
  563   HE21  GLN  70          1HE2      GLN  70  -9.672   7.970  -8.615
  564   HE22  GLN  70          2HE2      GLN  70 -10.505   8.888  -9.774
  565    H    SER  71           H        SER  71  -7.252  10.063  -5.045
  566    HA   SER  71           HA       SER  71  -5.568   7.703  -5.494
  567    HG   SER  71           HG       SER  71  -4.649   9.643  -7.805
  568    HB2  SER  71           2HB      SER  71  -5.131  10.701  -5.496
  569    HB3  SER  71           1HB      SER  71  -3.850   9.547  -5.861
  570    H    GLY  72           H        GLY  72  -6.018  10.167  -2.982
  571    HA2  GLY  72           2HA      GLY  72  -3.701   9.633  -1.423
  572    HA3  GLY  72           1HA      GLY  72  -5.207  10.291  -0.786
  573    H    VAL  73           H        VAL  73  -6.874   8.017  -1.509
  574    HA   VAL  73           HA       VAL  73  -6.380   6.332   0.789
  575    HB   VAL  73           HB       VAL  73  -8.558   7.003  -0.619
  576   HG11  VAL  73          1HG1      VAL  73  -7.802   5.758  -2.647
  577   HG12  VAL  73          2HG1      VAL  73  -9.338   5.161  -2.020
  578   HG13  VAL  73          3HG1      VAL  73  -7.851   4.263  -1.713
  579   HG21  VAL  73          3HG2      VAL  73  -9.707   5.076   0.447
  580   HG22  VAL  73          1HG2      VAL  73  -8.563   5.848   1.544
  581   HG23  VAL  73          2HG2      VAL  73  -8.139   4.331   0.753
  582    H    ALA  74           H        ALA  74  -5.750   5.989  -2.696
  583    HA   ALA  74           HA       ALA  74  -5.013   3.213  -2.661
  584    HB1  ALA  74           3HB      ALA  74  -4.529   5.603  -4.424
  585    HB2  ALA  74           1HB      ALA  74  -5.442   4.136  -4.774
  586    HB3  ALA  74           2HB      ALA  74  -3.679   4.095  -4.762
  587    H    GLY  75           H        GLY  75  -3.107   6.203  -2.226
  588    HA2  GLY  75           2HA      GLY  75  -0.568   4.882  -2.007
  589    HA3  GLY  75           1HA      GLY  75  -0.920   6.509  -1.426
  590    H    LYS  76           H        LYS  76  -3.047   5.812   0.359
  591    HA   LYS  76           HA       LYS  76  -1.565   5.075   2.710
  592    HB2  LYS  76           2HB      LYS  76  -4.305   5.826   1.916
  593    HB3  LYS  76           1HB      LYS  76  -4.231   4.779   3.333
  594    HG2  LYS  76           2HG      LYS  76  -2.253   6.507   3.964
  595    HG3  LYS  76           1HG      LYS  76  -3.270   7.572   2.990
  596    HD2  LYS  76           2HD      LYS  76  -4.218   7.855   5.098
  597    HD3  LYS  76           1HD      LYS  76  -5.220   6.559   4.443
  598    HE2  LYS  76           2HE      LYS  76  -2.890   5.379   5.652
  599    HE3  LYS  76           1HE      LYS  76  -3.643   6.486   6.816
  600    HZ1  LYS  76           3HZ      LYS  76  -4.981   4.319   5.285
  601    HZ2  LYS  76           1HZ      LYS  76  -5.817   5.481   6.195
  602    HZ3  LYS  76           2HZ      LYS  76  -4.762   4.394   6.965
  603    H    THR  77           H        THR  77  -3.928   3.277   0.676
  604    HA   THR  77           HA       THR  77  -4.048   0.903   2.252
  605    HB   THR  77           HB       THR  77  -4.219   1.291  -0.761
  606    HG1  THR  77           HG1      THR  77  -6.209   1.922  -0.416
  607   HG21  THR  77          3HG2      THR  77  -5.781  -0.803   0.660
  608   HG22  THR  77          1HG2      THR  77  -4.056  -1.102   0.456
  609   HG23  THR  77          2HG2      THR  77  -5.075  -0.827  -0.956
  610    H    ALA  78           H        ALA  78  -1.722   1.964  -0.207
  611    HA   ALA  78           HA       ALA  78  -0.231  -0.551  -0.175
  612    HB1  ALA  78           3HB      ALA  78   1.260   0.729  -1.678
  613    HB2  ALA  78           1HB      ALA  78   0.414   2.217  -1.252
  614    HB3  ALA  78           2HB      ALA  78  -0.426   0.949  -2.147
  615    H    LYS  79           H        LYS  79  -0.016   2.619   1.391
  616    HA   LYS  79           HA       LYS  79   2.632   2.195   2.521
  617    HB2  LYS  79           2HB      LYS  79   1.040   4.332   2.049
  618    HB3  LYS  79           1HB      LYS  79   0.682   4.076   3.755
  619    HG2  LYS  79           2HG      LYS  79   2.995   4.294   4.359
  620    HG3  LYS  79           1HG      LYS  79   3.505   4.222   2.672
  621    HD2  LYS  79           2HD      LYS  79   3.501   6.492   2.799
  622    HD3  LYS  79           1HD      LYS  79   1.756   6.327   2.605
  623    HE2  LYS  79           2HE      LYS  79   2.841   6.059   5.381
  624    HE3  LYS  79           1HE      LYS  79   2.799   7.684   4.672
  625    HZ1  LYS  79           3HZ      LYS  79   0.541   5.777   4.959
  626    HZ2  LYS  79           1HZ      LYS  79   0.460   7.156   3.973
  627    HZ3  LYS  79           2HZ      LYS  79   0.687   7.322   5.649
  628    H    ASP  80           H        ASP  80  -0.717   1.678   3.616
  629    HA   ASP  80           HA       ASP  80  -0.097   1.115   6.377
  630    HB2  ASP  80           2HB      ASP  80  -2.365   0.674   4.463
  631    HB3  ASP  80           1HB      ASP  80  -2.388  -0.204   5.991
  632    H    PHE  81           H        PHE  81  -0.357  -0.932   3.458
  633    HA   PHE  81           HA       PHE  81   0.054  -3.442   4.852
  634    HD1  PHE  81           HD2      PHE  81  -0.670  -5.802   3.302
  635    HD2  PHE  81           HD1      PHE  81   2.375  -3.552   1.273
  636    HE1  PHE  81           HE2      PHE  81   0.481  -7.911   2.689
  637    HE2  PHE  81           HE1      PHE  81   3.524  -5.662   0.663
  638    HZ   PHE  81           HZ       PHE  81   2.577  -7.841   1.371
  639    HB2  PHE  81           2HB      PHE  81  -0.994  -3.407   2.679
  640    HB3  PHE  81           1HB      PHE  81   0.337  -2.484   1.986
  641    H    VAL  82           H        VAL  82   2.179  -1.097   3.236
  642    HA   VAL  82           HA       VAL  82   4.608  -2.622   3.437
  643    HB   VAL  82           HB       VAL  82   3.913   0.310   3.146
  644   HG11  VAL  82          1HG1      VAL  82   6.610  -1.024   3.372
  645   HG12  VAL  82          2HG1      VAL  82   6.045   0.458   4.143
  646   HG13  VAL  82          3HG1      VAL  82   6.407   0.445   2.418
  647   HG21  VAL  82          3HG2      VAL  82   4.621  -0.053   0.846
  648   HG22  VAL  82          1HG2      VAL  82   3.447  -1.299   1.274
  649   HG23  VAL  82          2HG2      VAL  82   5.166  -1.684   1.236
  650    H    ARG  83           H        ARG  83   3.033  -0.244   5.592
  651    HA   ARG  83           HA       ARG  83   5.151  -0.020   7.505
  652    HE   ARG  83           HE       ARG  83   1.912   3.771   9.275
  653    HB2  ARG  83           2HB      ARG  83   2.817   1.211   7.128
  654    HB3  ARG  83           1HB      ARG  83   2.255   0.020   8.302
  655    HG2  ARG  83           2HG      ARG  83   4.422   0.788   9.626
  656    HG3  ARG  83           1HG      ARG  83   4.225   2.249   8.658
  657    HD2  ARG  83           2HD      ARG  83   1.652   1.437   9.708
  658    HD3  ARG  83           1HD      ARG  83   2.828   1.594  11.028
  659   HH11  ARG  83          1HH2      ARG  83   2.636   3.628  12.326
  660   HH12  ARG  83          2HH2      ARG  83   3.986   4.713  12.355
  661   HH21  ARG  83          2HH1      ARG  83   4.391   4.711   8.901
  662   HH22  ARG  83          1HH1      ARG  83   4.989   5.328  10.406
  663    H    LYS  84           H        LYS  84   2.356  -2.257   7.329
  664    HA   LYS  84           HA       LYS  84   3.035  -3.707   9.742
  665    HB2  LYS  84           2HB      LYS  84   0.846  -3.523   8.252
  666    HB3  LYS  84           1HB      LYS  84   1.550  -4.911   7.422
  667    HG2  LYS  84           2HG      LYS  84   1.465  -6.265   9.339
  668    HG3  LYS  84           1HG      LYS  84   1.352  -4.881  10.426
  669    HD2  LYS  84           2HD      LYS  84  -0.862  -4.864   8.563
  670    HD3  LYS  84           1HD      LYS  84  -0.784  -6.414   9.400
  671    HE2  LYS  84           2HE      LYS  84  -0.440  -3.923  11.039
  672    HE3  LYS  84           1HE      LYS  84  -2.074  -4.361  10.501
  673    HZ1  LYS  84           3HZ      LYS  84  -1.703  -6.607  11.352
  674    HZ2  LYS  84           1HZ      LYS  84  -1.559  -5.457  12.591
  675    HZ3  LYS  84           2HZ      LYS  84  -0.163  -6.154  11.914
  676    H    ALA  85           H        ALA  85   3.817  -4.111   6.299
  677    HA   ALA  85           HA       ALA  85   5.143  -6.668   6.558
  678    HB1  ALA  85           3HB      ALA  85   5.951  -6.092   4.287
  679    HB2  ALA  85           1HB      ALA  85   5.418  -4.427   4.525
  680    HB3  ALA  85           2HB      ALA  85   4.232  -5.731   4.452
  681    H    PHE  86           H        PHE  86   6.223  -3.282   6.718
  682    HA   PHE  86           HA       PHE  86   9.049  -3.787   6.794
  683    HD1  PHE  86           HD2      PHE  86  10.859  -2.357   7.387
  684    HD2  PHE  86           HD1      PHE  86   7.784  -0.228   5.274
  685    HE1  PHE  86           HE2      PHE  86  12.561  -1.438   5.836
  686    HE2  PHE  86           HE1      PHE  86   9.487   0.691   3.725
  687    HZ   PHE  86           HZ       PHE  86  11.875   0.088   4.007
  688    HB2  PHE  86           2HB      PHE  86   7.188  -1.605   7.046
  689    HB3  PHE  86           1HB      PHE  86   8.344  -1.502   8.369
  690    H    GLN  87           H        GLN  87   6.573  -3.512   9.364
  691    HA   GLN  87           HA       GLN  87   8.410  -3.789  11.574
  692    HB2  GLN  87           2HB      GLN  87   5.445  -4.013  11.108
  693    HB3  GLN  87           1HB      GLN  87   6.115  -4.459  12.677
  694    HG2  GLN  87           2HG      GLN  87   6.741  -2.299  13.185
  695    HG3  GLN  87           1HG      GLN  87   7.022  -1.872  11.498
  696   HE21  GLN  87          1HE2      GLN  87   4.160  -2.982  13.431
  697   HE22  GLN  87          2HE2      GLN  87   3.109  -1.808  12.801
  698    H    LYS  88           H        LYS  88   6.581  -6.139   9.619
  699    HA   LYS  88           HA       LYS  88   7.177  -8.419  11.328
  700    HB2  LYS  88           2HB      LYS  88   5.758  -7.782   8.850
  701    HB3  LYS  88           1HB      LYS  88   6.595  -9.331   8.751
  702    HG2  LYS  88           2HG      LYS  88   4.473  -9.865   9.664
  703    HG3  LYS  88           1HG      LYS  88   5.560  -9.842  11.053
  704    HD2  LYS  88           2HD      LYS  88   4.610  -7.178  10.645
  705    HD3  LYS  88           1HD      LYS  88   3.217  -8.259  10.620
  706    HE2  LYS  88           2HE      LYS  88   3.556  -8.969  12.817
  707    HE3  LYS  88           1HE      LYS  88   5.296  -8.626  12.765
  708    HZ1  LYS  88           3HZ      LYS  88   3.177  -6.545  12.605
  709    HZ2  LYS  88           1HZ      LYS  88   4.851  -6.287  12.708
  710    HZ3  LYS  88           2HZ      LYS  88   4.013  -6.947  14.032
  711    H    GLY  89           H        GLY  89   8.421  -7.373   8.127
  712    HA2  GLY  89           2HA      GLY  89  10.974  -7.421   8.001
  713    HA3  GLY  89           1HA      GLY  89  10.819  -9.065   8.611
  714    H    LEU  90           H        LEU  90   9.086  -7.235   6.056
  715    HA   LEU  90           HA       LEU  90   9.638  -9.535   4.220
  716    HG   LEU  90           HG       LEU  90   7.300 -10.311   5.243
  717    HB2  LEU  90           2HB      LEU  90   7.272  -7.902   4.879
  718    HB3  LEU  90           1HB      LEU  90   7.521  -8.127   3.148
  719   HD11  LEU  90          1HD1      LEU  90   5.586  -9.856   2.797
  720   HD12  LEU  90          2HD1      LEU  90   5.209  -9.105   4.348
  721   HD13  LEU  90          3HD1      LEU  90   5.237 -10.863   4.202
  722   HD21  LEU  90          3HD2      LEU  90   8.842 -11.216   3.722
  723   HD22  LEU  90          1HD2      LEU  90   8.157 -10.337   2.355
  724   HD23  LEU  90          2HD2      LEU  90   7.305 -11.728   3.027
  725    H    ILE  91           H        ILE  91   9.155  -5.972   4.249
  726    HA   ILE  91           HA       ILE  91  10.722  -5.812   1.715
  727    HB   ILE  91           HB       ILE  91   8.968  -3.792   3.157
  728   HG12  ILE  91          2HG1      ILE  91   8.401  -5.398   0.641
  729   HG13  ILE  91          1HG1      ILE  91   7.784  -5.827   2.237
  730   HG21  ILE  91          1HG2      ILE  91  10.479  -2.555   1.815
  731   HG22  ILE  91          2HG2      ILE  91   9.046  -2.730   0.803
  732   HG23  ILE  91          3HG2      ILE  91  10.452  -3.760   0.526
  733   HD11  ILE  91          3HD1      ILE  91   6.945  -3.313   2.232
  734   HD12  ILE  91          1HD1      ILE  91   6.007  -4.570   1.426
  735   HD13  ILE  91          2HD1      ILE  91   7.054  -3.510   0.483
  736    H    SER  92           H        SER  92  12.871  -5.932   2.563
  737    HA   SER  92           HA       SER  92  13.736  -4.267   4.808
  738    HG   SER  92           HG       SER  92  14.300  -7.228   4.457
  739    HB2  SER  92           2HB      SER  92  15.006  -6.104   2.786
  740    HB3  SER  92           1HB      SER  92  16.019  -5.112   3.829
  741    H    GLN  93           H        GLN  93  15.861  -2.866   4.276
  742    HA   GLN  93           HA       GLN  93  15.028  -0.651   2.650
  743    HB2  GLN  93           2HB      GLN  93  16.964  -1.230   4.580
  744    HB3  GLN  93           1HB      GLN  93  17.902  -0.838   3.139
  745    HG2  GLN  93           2HG      GLN  93  17.583   1.293   3.978
  746    HG3  GLN  93           1HG      GLN  93  16.144   1.158   2.968
  747   HE21  GLN  93          1HE2      GLN  93  14.097   0.386   4.148
  748   HE22  GLN  93          2HE2      GLN  93  13.916   0.813   5.780
  749    H    GLN  94           H        GLN  94  17.772  -2.924   2.105
  750    HA   GLN  94           HA       GLN  94  18.295  -2.048  -0.579
  751    HB2  GLN  94           2HB      GLN  94  19.661  -4.084  -0.680
  752    HB3  GLN  94           1HB      GLN  94  19.845  -3.333   0.904
  753    HG2  GLN  94           2HG      GLN  94  17.873  -4.921   1.595
  754    HG3  GLN  94           1HG      GLN  94  18.344  -5.834   0.161
  755   HE21  GLN  94          1HE2      GLN  94  20.615  -6.673   0.103
  756   HE22  GLN  94          2HE2      GLN  94  21.453  -6.923   1.559
  757    H    GLU  95           H        GLU  95  16.123  -4.543   0.720
  758    HA   GLU  95           HA       GLU  95  15.427  -5.663  -1.852
  759    HB2  GLU  95           2HB      GLU  95  14.867  -6.080   0.920
  760    HB3  GLU  95           1HB      GLU  95  13.324  -5.938   0.078
  761    HG2  GLU  95           2HG      GLU  95  15.592  -7.758  -0.783
  762    HG3  GLU  95           1HG      GLU  95  14.168  -8.284   0.117
  763    H    ALA  96           H        ALA  96  14.206  -2.969   0.105
  764    HA   ALA  96           HA       ALA  96  11.750  -2.487  -1.272
  765    HB1  ALA  96           3HB      ALA  96  13.727  -0.637   0.108
  766    HB2  ALA  96           1HB      ALA  96  12.345  -1.436   0.856
  767    HB3  ALA  96           2HB      ALA  96  12.088  -0.171  -0.345
  768    H    ASN  97           H        ASN  97  15.092  -1.392  -1.924
  769    HA   ASN  97           HA       ASN  97  14.469   0.309  -4.160
  770    HB2  ASN  97           2HB      ASN  97  16.618   0.403  -3.036
  771    HB3  ASN  97           1HB      ASN  97  16.912  -1.307  -3.349
  772   HD21  ASN  97          1HD2      ASN  97  18.210  -1.708  -5.151
  773   HD22  ASN  97          2HD2      ASN  97  18.409  -0.647  -6.461
  774    H    GLN  98           H        GLN  98  15.424  -3.131  -3.936
  775    HA   GLN  98           HA       GLN  98  15.232  -3.689  -6.768
  776    HB2  GLN  98           2HB      GLN  98  15.634  -5.081  -4.223
  777    HB3  GLN  98           1HB      GLN  98  14.664  -6.037  -5.343
  778    HG2  GLN  98           2HG      GLN  98  16.363  -6.142  -6.940
  779    HG3  GLN  98           1HG      GLN  98  17.164  -4.694  -6.330
  780   HE21  GLN  98          1HE2      GLN  98  19.204  -5.986  -6.186
  781   HE22  GLN  98          2HE2      GLN  98  19.428  -7.055  -4.887
  782    H    TRP  99           H        TRP  99  12.961  -3.825  -4.064
  783    HA   TRP  99           HA       TRP  99  10.739  -5.059  -5.395
  784    HD1  TRP  99           HD1      TRP  99   9.412  -6.567  -2.985
  785    HE1  TRP  99           HE1      TRP  99   6.839  -6.508  -2.823
  786    HE3  TRP  99           HE3      TRP  99   8.588  -1.603  -3.845
  787    HZ2  TRP  99           HZ2      TRP  99   4.727  -4.600  -3.043
  788    HZ3  TRP  99           HZ3      TRP  99   6.293  -0.707  -3.851
  789    HH2  TRP  99           HH2      TRP  99   4.358  -2.192  -3.466
  790    HB2  TRP  99           2HB      TRP  99  11.230  -4.667  -2.911
  791    HB3  TRP  99           1HB      TRP  99  10.712  -3.005  -3.165
  792    H    LEU 100           H        LEU 100  11.760  -1.664  -5.006
  793    HA   LEU 100           HA       LEU 100   9.435  -0.464  -6.211
  794    HG   LEU 100           HG       LEU 100  10.281   0.212  -3.973
  795    HB2  LEU 100           2HB      LEU 100  12.293   0.373  -5.700
  796    HB3  LEU 100           1HB      LEU 100  11.184   1.440  -6.556
  797   HD11  LEU 100          1HD1      LEU 100  11.685   2.845  -3.869
  798   HD12  LEU 100          2HD1      LEU 100  12.685   1.393  -3.918
  799   HD13  LEU 100          3HD1      LEU 100  11.513   1.612  -2.619
  800   HD21  LEU 100          3HD2      LEU 100   8.839   2.071  -3.909
  801   HD22  LEU 100          1HD2      LEU 100   8.925   1.707  -5.631
  802   HD23  LEU 100          2HD2      LEU 100   9.877   3.032  -4.962
  803    H    SER 101           H        SER 101  12.555  -1.581  -7.532
  804    HA   SER 101           HA       SER 101  12.020  -0.641 -10.232
  805    HG   SER 101           HG       SER 101  15.391  -0.872  -9.290
  806    HB2  SER 101           2HB      SER 101  13.989  -2.608  -9.027
  807    HB3  SER 101           1HB      SER 101  14.014  -2.127 -10.720
  808    H    SER 102           HN       SER 102  11.858  -3.845  -8.631
  809    HA   SER 102           HA       SER 102  10.212  -4.814 -10.942
  810    HG   SER 102           HG       SER 102  11.525  -6.790 -11.906
  811    HB2  SER 102           2HB      SER 102  12.516  -5.915  -9.437
  812    HB3  SER 102           1HB      SER 102  11.229  -7.067  -9.776
  Start of MODEL    9
    1    HA   GLU   1           HA       GLU   1  -0.325  12.759   7.874
    2    H1   GLU   1           1H       GLU   1  -2.354  12.417   5.720
    3    H2   GLU   1           2H       GLU   1  -2.195  13.806   6.686
    4    H3   GLU   1           3H       GLU   1  -2.643  12.326   7.390
    5    HB2  GLU   1           2HB      GLU   1  -1.305  10.468   7.355
    6    HB3  GLU   1           1HB      GLU   1  -0.646  10.640   5.728
    7    HG2  GLU   1           2HG      GLU   1   1.214  11.144   8.008
    8    HG3  GLU   1           1HG      GLU   1   0.743   9.470   7.706
    9    H    ALA   2           H        ALA   2   1.356  14.034   7.214
   10    HA   ALA   2           HA       ALA   2   2.216  14.026   4.375
   11    HB1  ALA   2           3HB      ALA   2   2.026  16.523   4.306
   12    HB2  ALA   2           1HB      ALA   2   1.243  16.476   5.886
   13    HB3  ALA   2           2HB      ALA   2   0.460  15.732   4.492
   14    H    TYR   3           H        TYR   3   3.570  13.016   6.657
   15    HA   TYR   3           HA       TYR   3   6.044  14.589   6.563
   16    HD1  TYR   3           HD1      TYR   3   7.631  14.492   9.475
   17    HD2  TYR   3           HD2      TYR   3   5.024  17.510   7.879
   18    HE1  TYR   3           HE1      TYR   3   9.422  16.182   9.746
   19    HE2  TYR   3           HE2      TYR   3   6.817  19.201   8.150
   20    HH   TYR   3           HH       TYR   3   9.170  19.102  10.002
   21    HB2  TYR   3           2HB      TYR   3   4.164  15.357   8.412
   22    HB3  TYR   3           1HB      TYR   3   5.114  14.202   9.347
   23    H    VAL   4           H        VAL   4   7.672  13.085   6.611
   24    HA   VAL   4           HA       VAL   4   7.156  10.477   8.012
   25    HB   VAL   4           HB       VAL   4   8.608   9.503   6.228
   26   HG11  VAL   4          1HG1      VAL   4   6.010   9.957   6.070
   27   HG12  VAL   4          2HG1      VAL   4   6.896   9.366   4.664
   28   HG13  VAL   4          3HG1      VAL   4   6.495  11.078   4.798
   29   HG21  VAL   4          3HG2      VAL   4   9.313  10.831   4.340
   30   HG22  VAL   4          1HG2      VAL   4   9.847  11.674   5.794
   31   HG23  VAL   4          2HG2      VAL   4   8.420  12.235   4.923
   32    H    GLN   5           H        GLN   5   9.139   9.427   8.867
   33    HA   GLN   5           HA       GLN   5  11.098  11.456   9.854
   34    HB2  GLN   5           2HB      GLN   5   9.664   9.876  11.319
   35    HB3  GLN   5           1HB      GLN   5  10.751   8.597  10.775
   36    HG2  GLN   5           2HG      GLN   5  11.988  11.114  11.807
   37    HG3  GLN   5           1HG      GLN   5  11.259  10.021  12.983
   38   HE21  GLN   5          1HE2      GLN   5  14.217  10.687  11.864
   39   HE22  GLN   5          2HE2      GLN   5  14.902   9.136  11.803
   40    H    GLY   6           H        GLY   6  10.992   8.167   8.437
   41    HA2  GLY   6           2HA      GLY   6  13.352   8.647   6.833
   42    HA3  GLY   6           1HA      GLY   6  13.708   7.602   8.209
   43    H    TRP   7           H        TRP   7  12.034   5.744   8.473
   44    HA   TRP   7           HA       TRP   7  12.019   4.163   6.055
   45    HD1  TRP   7           HD1      TRP   7  13.852   3.649   6.759
   46    HE1  TRP   7           HE1      TRP   7  15.284   1.526   7.045
   47    HE3  TRP   7           HE3      TRP   7  10.575   0.720   9.358
   48    HZ2  TRP   7           HZ2      TRP   7  15.069  -1.070   8.227
   49    HZ3  TRP   7           HZ3      TRP   7  11.214  -1.569  10.054
   50    HH2  TRP   7           HH2      TRP   7  13.456  -2.469   9.491
   51    HB2  TRP   7           2HB      TRP   7  11.239   3.945   8.898
   52    HB3  TRP   7           1HB      TRP   7  10.306   2.923   7.807
   53    H    GLU   8           H        GLU   8   9.649   6.281   7.591
   54    HA   GLU   8           HA       GLU   8   7.279   5.345   6.317
   55    HB2  GLU   8           2HB      GLU   8   8.244   7.682   7.782
   56    HB3  GLU   8           1HB      GLU   8   7.075   8.127   6.540
   57    HG2  GLU   8           2HG      GLU   8   6.615   5.916   8.560
   58    HG3  GLU   8           1HG      GLU   8   6.040   7.570   8.770
   59    H    ALA   9           H        ALA   9   9.864   7.504   5.192
   60    HA   ALA   9           HA       ALA   9   8.573   8.378   2.765
   61    HB1  ALA   9           3HB      ALA   9  11.536   8.016   3.298
   62    HB2  ALA   9           1HB      ALA   9  10.603   9.351   3.972
   63    HB3  ALA   9           2HB      ALA   9  10.779   9.193   2.225
   64    H    VAL  10           H        VAL  10  10.737   5.660   3.552
   65    HA   VAL  10           HA       VAL  10  11.024   4.619   0.894
   66    HB   VAL  10           HB       VAL  10  11.011   3.164   3.566
   67   HG11  VAL  10          1HG1      VAL  10  12.479   1.565   2.465
   68   HG12  VAL  10          2HG1      VAL  10  12.484   2.533   0.990
   69   HG13  VAL  10          3HG1      VAL  10  11.004   1.730   1.512
   70   HG21  VAL  10          3HG2      VAL  10  13.621   3.573   3.071
   71   HG22  VAL  10          1HG2      VAL  10  12.652   4.734   3.977
   72   HG23  VAL  10          2HG2      VAL  10  12.974   5.001   2.264
   73    H    ALA  11           H        ALA  11   8.634   4.057   3.467
   74    HA   ALA  11           HA       ALA  11   7.146   1.981   2.167
   75    HB1  ALA  11           3HB      ALA  11   6.107   4.133   4.033
   76    HB2  ALA  11           1HB      ALA  11   7.093   2.783   4.594
   77    HB3  ALA  11           2HB      ALA  11   5.514   2.481   3.869
   78    H    ALA  12           H        ALA  12   6.862   5.540   2.128
   79    HA   ALA  12           HA       ALA  12   4.493   5.764   0.562
   80    HB1  ALA  12           3HB      ALA  12   5.204   8.044   0.297
   81    HB2  ALA  12           1HB      ALA  12   6.900   7.603   0.493
   82    HB3  ALA  12           2HB      ALA  12   5.806   7.531   1.874
   83    H    ALA  13           H        ALA  13   7.930   5.515  -0.390
   84    HA   ALA  13           HA       ALA  13   7.560   5.820  -3.213
   85    HB1  ALA  13           3HB      ALA  13   9.806   4.923  -3.320
   86    HB2  ALA  13           1HB      ALA  13   9.609   4.112  -1.765
   87    HB3  ALA  13           2HB      ALA  13   9.703   5.872  -1.837
   88    H    VAL  14           H        VAL  14   7.553   2.940  -1.103
   89    HA   VAL  14           HA       VAL  14   7.150   1.000  -3.194
   90    HB   VAL  14           HB       VAL  14   6.419   0.996  -0.240
   91   HG11  VAL  14          1HG1      VAL  14   5.245  -0.804  -1.333
   92   HG12  VAL  14          2HG1      VAL  14   6.647  -1.510  -0.529
   93   HG13  VAL  14          3HG1      VAL  14   6.675  -1.239  -2.271
   94   HG21  VAL  14          3HG2      VAL  14   8.763  -0.525  -1.189
   95   HG22  VAL  14          1HG2      VAL  14   8.598   0.521   0.220
   96   HG23  VAL  14          2HG2      VAL  14   8.925   1.221  -1.364
   97    H    ALA  15           H        ALA  15   4.920   2.849  -1.111
   98    HA   ALA  15           HA       ALA  15   2.477   1.645  -2.022
   99    HB1  ALA  15           3HB      ALA  15   3.123   4.399  -0.916
  100    HB2  ALA  15           1HB      ALA  15   2.690   2.975   0.030
  101    HB3  ALA  15           2HB      ALA  15   1.498   3.722  -1.034
  102    H    SER  16           H        SER  16   4.391   4.431  -3.158
  103    HA   SER  16           HA       SER  16   2.553   5.383  -5.142
  104    HG   SER  16           HG       SER  16   4.145   7.835  -5.112
  105    HB2  SER  16           2HB      SER  16   4.913   6.203  -4.084
  106    HB3  SER  16           1HB      SER  16   5.490   5.548  -5.613
  107    H    LYS  17           H        LYS  17   5.143   2.937  -5.220
  108    HA   LYS  17           HA       LYS  17   5.023   2.404  -8.045
  109    HB2  LYS  17           2HB      LYS  17   6.710   1.792  -6.056
  110    HB3  LYS  17           1HB      LYS  17   5.769   0.304  -6.040
  111    HG2  LYS  17           2HG      LYS  17   7.717   0.085  -7.532
  112    HG3  LYS  17           1HG      LYS  17   6.215  -0.011  -8.450
  113    HD2  LYS  17           2HD      LYS  17   7.971   1.459  -9.509
  114    HD3  LYS  17           1HD      LYS  17   6.445   2.283  -9.193
  115    HE2  LYS  17           2HE      LYS  17   7.349   3.350  -7.210
  116    HE3  LYS  17           1HE      LYS  17   8.831   2.381  -7.313
  117    HZ1  LYS  17           3HZ      LYS  17   9.045   4.625  -8.322
  118    HZ2  LYS  17           1HZ      LYS  17   7.876   4.189  -9.470
  119    HZ3  LYS  17           2HZ      LYS  17   9.360   3.360  -9.411
  120    H    ILE  18           H        ILE  18   3.211   1.191  -5.247
  121    HA   ILE  18           HA       ILE  18   1.943  -1.060  -6.462
  122    HB   ILE  18           HB       ILE  18   1.328   0.850  -4.209
  123   HG12  ILE  18          2HG1      ILE  18   3.051  -0.980  -3.998
  124   HG13  ILE  18          1HG1      ILE  18   1.741  -1.094  -2.827
  125   HG21  ILE  18          1HG2      ILE  18  -0.574  -0.764  -3.626
  126   HG22  ILE  18          2HG2      ILE  18  -0.468  -1.327  -5.293
  127   HG23  ILE  18          3HG2      ILE  18  -0.881   0.354  -4.955
  128   HD11  ILE  18          3HD1      ILE  18   2.263  -3.297  -3.856
  129   HD12  ILE  18          1HD1      ILE  18   1.862  -2.635  -5.439
  130   HD13  ILE  18          2HD1      ILE  18   0.615  -2.781  -4.201
  131    H    VAL  19           H        VAL  19   0.852   2.342  -6.143
  132    HA   VAL  19           HA       VAL  19  -1.586   2.079  -7.606
  133    HB   VAL  19           HB       VAL  19   0.325   4.331  -6.965
  134   HG11  VAL  19          1HG1      VAL  19  -2.239   4.456  -8.572
  135   HG12  VAL  19          2HG1      VAL  19  -0.649   5.064  -9.030
  136   HG13  VAL  19          3HG1      VAL  19  -1.562   5.859  -7.747
  137   HG21  VAL  19          3HG2      VAL  19  -1.483   5.011  -5.461
  138   HG22  VAL  19          1HG2      VAL  19  -1.094   3.315  -5.172
  139   HG23  VAL  19          2HG2      VAL  19  -2.529   3.744  -6.104
  140    H    GLY  20           H        GLY  20   1.734   2.830  -8.666
  141    HA2  GLY  20           2HA      GLY  20   1.096   3.402 -11.407
  142    HA3  GLY  20           1HA      GLY  20   2.683   2.922 -10.811
  143    H    LEU  21           H        LEU  21   1.739   0.378  -9.674
  144    HA   LEU  21           HA       LEU  21   1.373  -1.141 -12.228
  145    HG   LEU  21           HG       LEU  21   2.062  -3.418 -12.060
  146    HB2  LEU  21           2HB      LEU  21   3.456  -1.216 -10.581
  147    HB3  LEU  21           1HB      LEU  21   2.418  -2.311  -9.670
  148   HD11  LEU  21          1HD1      LEU  21   4.886  -2.362 -12.307
  149   HD12  LEU  21          2HD1      LEU  21   3.514  -1.578 -13.093
  150   HD13  LEU  21          3HD1      LEU  21   3.945  -3.235 -13.516
  151   HD21  LEU  21          3HD2      LEU  21   2.941  -4.727 -10.289
  152   HD22  LEU  21          1HD2      LEU  21   4.390  -3.730 -10.159
  153   HD23  LEU  21          2HD2      LEU  21   4.182  -4.808 -11.539
  154    H    TRP  22           H        TRP  22  -0.894  -0.067 -10.684
  155    HA   TRP  22           HA       TRP  22  -2.020  -2.490  -9.380
  156    HD1  TRP  22           HD1      TRP  22  -3.710  -3.022  -7.928
  157    HE1  TRP  22           HE1      TRP  22  -6.175  -2.968  -7.172
  158    HE3  TRP  22           HE3      TRP  22  -4.829   1.863  -8.909
  159    HZ2  TRP  22           HZ2      TRP  22  -8.332  -1.103  -7.005
  160    HZ3  TRP  22           HZ3      TRP  22  -7.094   2.752  -8.440
  161    HH2  TRP  22           HH2      TRP  22  -8.845   1.277  -7.489
  162    HB2  TRP  22           2HB      TRP  22  -2.039  -0.413  -8.109
  163    HB3  TRP  22           1HB      TRP  22  -2.836   0.430  -9.434
  164    H    ARG  23           H        ARG  23  -3.733  -3.565 -10.244
  165    HA   ARG  23           HA       ARG  23  -4.786  -2.722 -12.900
  166    HE   ARG  23           HE       ARG  23  -7.068  -6.730 -12.892
  167    HB2  ARG  23           2HB      ARG  23  -3.755  -5.058 -12.004
  168    HB3  ARG  23           1HB      ARG  23  -5.443  -5.326 -11.581
  169    HG2  ARG  23           2HG      ARG  23  -6.032  -4.682 -13.967
  170    HG3  ARG  23           1HG      ARG  23  -4.305  -4.713 -14.321
  171    HD2  ARG  23           2HD      ARG  23  -4.784  -6.914 -14.840
  172    HD3  ARG  23           1HD      ARG  23  -4.552  -7.121 -13.093
  173   HH11  ARG  23          2HH1      ARG  23  -7.509  -6.057 -15.792
  174   HH12  ARG  23          1HH1      ARG  23  -8.098  -7.558 -16.425
  175   HH21  ARG  23          1HH2      ARG  23  -6.997  -9.431 -13.711
  176   HH22  ARG  23          2HH2      ARG  23  -7.805  -9.479 -15.242
  177    H    ASN  24           H        ASN  24  -7.292  -3.950 -12.819
  178    HA   ASN  24           HA       ASN  24  -9.008  -2.101 -11.582
  179    HB2  ASN  24           2HB      ASN  24  -9.151  -4.828 -12.715
  180    HB3  ASN  24           1HB      ASN  24 -10.456  -4.437 -11.597
  181   HD21  ASN  24          1HD2      ASN  24  -8.786  -3.127 -14.510
  182   HD22  ASN  24          2HD2      ASN  24 -10.149  -2.307 -15.101
  183    H    GLU  25           H        GLU  25  -7.723  -5.157 -10.254
  184    HA   GLU  25           HA       GLU  25  -8.124  -4.179  -7.509
  185    HB2  GLU  25           2HB      GLU  25  -9.626  -6.046  -6.905
  186    HB3  GLU  25           1HB      GLU  25 -10.339  -5.074  -8.190
  187    HG2  GLU  25           2HG      GLU  25  -8.853  -6.947  -9.594
  188    HG3  GLU  25           1HG      GLU  25  -9.478  -7.880  -8.235
  189    H    LYS  26           H        LYS  26  -5.827  -5.063  -9.161
  190    HA   LYS  26           HA       LYS  26  -4.722  -7.083  -7.292
  191    HB2  LYS  26           2HB      LYS  26  -5.948  -8.244  -9.158
  192    HB3  LYS  26           1HB      LYS  26  -4.826  -7.496 -10.292
  193    HG2  LYS  26           2HG      LYS  26  -3.481  -9.280  -9.955
  194    HG3  LYS  26           1HG      LYS  26  -3.155  -8.609  -8.358
  195    HD2  LYS  26           2HD      LYS  26  -4.834  -9.949  -7.334
  196    HD3  LYS  26           1HD      LYS  26  -5.548 -10.377  -8.890
  197    HE2  LYS  26           2HE      LYS  26  -3.727 -11.808  -9.458
  198    HE3  LYS  26           1HE      LYS  26  -2.702 -11.138  -8.172
  199    HZ1  LYS  26           3HZ      LYS  26  -4.220 -11.992  -6.523
  200    HZ2  LYS  26           1HZ      LYS  26  -3.724 -13.264  -7.528
  201    HZ3  LYS  26           2HZ      LYS  26  -5.267 -12.582  -7.726
  202    H    THR  27           H        THR  27  -2.476  -6.851  -7.082
  203    HA   THR  27           HA       THR  27  -0.971  -5.320  -9.138
  204    HB   THR  27           HB       THR  27  -1.954  -3.777  -7.358
  205    HG1  THR  27           HG1      THR  27  -0.010  -3.345  -8.591
  206   HG21  THR  27          3HG2      THR  27  -1.317  -3.914  -5.140
  207   HG22  THR  27          1HG2      THR  27   0.196  -4.739  -5.516
  208   HG23  THR  27          2HG2      THR  27  -1.327  -5.628  -5.558
  209    H    GLU  28           H        GLU  28   1.375  -5.627  -8.895
  210    HA   GLU  28           HA       GLU  28   1.990  -8.223  -7.573
  211    HB2  GLU  28           2HB      GLU  28   2.935  -6.669  -9.925
  212    HB3  GLU  28           1HB      GLU  28   4.144  -7.656  -9.104
  213    HG2  GLU  28           2HG      GLU  28   2.410  -9.560  -9.215
  214    HG3  GLU  28           1HG      GLU  28   1.561  -8.551 -10.387
  215    H    LEU  29           H        LEU  29   3.098  -8.187  -5.670
  216    HA   LEU  29           HA       LEU  29   4.719  -5.762  -4.992
  217    HG   LEU  29           HG       LEU  29   2.530  -5.249  -4.052
  218    HB2  LEU  29           2HB      LEU  29   3.042  -7.722  -3.502
  219    HB3  LEU  29           1HB      LEU  29   4.463  -7.107  -2.663
  220   HD11  LEU  29          1HD1      LEU  29   1.758  -4.922  -1.546
  221   HD12  LEU  29          2HD1      LEU  29   2.314  -6.587  -1.374
  222   HD13  LEU  29          3HD1      LEU  29   1.043  -6.196  -2.532
  223   HD21  LEU  29          3HD2      LEU  29   4.640  -4.985  -1.892
  224   HD22  LEU  29          1HD2      LEU  29   3.477  -3.708  -2.250
  225   HD23  LEU  29          2HD2      LEU  29   4.625  -4.224  -3.484
  226    H    LEU  30           H        LEU  30   6.872  -6.105  -5.349
  227    HA   LEU  30           HA       LEU  30   8.980  -7.145  -5.432
  228    HG   LEU  30           HG       LEU  30  10.497  -8.354  -4.185
  229    HB2  LEU  30           2HB      LEU  30   7.788  -7.717  -3.026
  230    HB3  LEU  30           1HB      LEU  30   8.145  -9.335  -3.632
  231   HD11  LEU  30          1HD1      LEU  30  11.189  -6.452  -2.952
  232   HD12  LEU  30          2HD1      LEU  30   9.755  -6.492  -1.926
  233   HD13  LEU  30          3HD1      LEU  30   9.620  -5.997  -3.612
  234   HD21  LEU  30          3HD2      LEU  30   9.789  -8.647  -1.257
  235   HD22  LEU  30          1HD2      LEU  30  11.301  -9.081  -2.053
  236   HD23  LEU  30          2HD2      LEU  30   9.843 -10.022  -2.359
  237    H    GLY  31           H        GLY  31   6.811  -8.046  -7.305
  238    HA2  GLY  31           2HA      GLY  31   6.962  -9.587  -9.121
  239    HA3  GLY  31           1HA      GLY  31   8.127 -10.531  -8.197
  240    H    HIS  32           H        HIS  32   5.814 -10.085  -5.957
  241    HA   HIS  32           HA       HIS  32   4.572 -12.711  -6.516
  242    HD1  HIS  32           HD1      HIS  32   6.210 -13.913  -5.404
  243    HD2  HIS  32           HD2      HIS  32   6.678 -10.769  -2.707
  244    HE1  HIS  32           HE1      HIS  32   8.542 -14.139  -4.441
  245    HB2  HIS  32           2HB      HIS  32   4.343 -10.816  -4.154
  246    HB3  HIS  32           1HB      HIS  32   3.859 -12.508  -4.183
  247    H    GLU  33           H        GLU  33   2.181 -12.926  -6.197
  248    HA   GLU  33           HA       GLU  33   0.751 -10.702  -7.535
  249    HB2  GLU  33           2HB      GLU  33   0.554 -13.608  -7.279
  250    HB3  GLU  33           1HB      GLU  33  -1.007 -12.821  -7.053
  251    HG2  GLU  33           2HG      GLU  33  -0.880 -13.150  -9.389
  252    HG3  GLU  33           1HG      GLU  33  -0.407 -11.464  -9.177
  253    H    CYS  34           H        CYS  34  -0.508  -9.300  -6.401
  254    HA   CYS  34           HA       CYS  34  -1.456 -10.093  -3.669
  255    HB2  CYS  34           2HB      CYS  34  -0.222  -7.535  -4.709
  256    HB3  CYS  34           1HB      CYS  34  -1.106  -7.598  -3.186
  257    H    LYS  35           H        LYS  35  -3.327  -8.607  -2.986
  258    HA   LYS  35           HA       LYS  35  -5.066  -7.975  -5.345
  259    HB2  LYS  35           2HB      LYS  35  -5.560 -10.056  -3.966
  260    HB3  LYS  35           1HB      LYS  35  -5.950  -8.975  -2.629
  261    HG2  LYS  35           2HG      LYS  35  -7.924  -8.335  -3.562
  262    HG3  LYS  35           1HG      LYS  35  -7.242  -8.261  -5.184
  263    HD2  LYS  35           2HD      LYS  35  -7.435 -10.990  -4.083
  264    HD3  LYS  35           1HD      LYS  35  -8.990 -10.194  -4.324
  265    HE2  LYS  35           2HE      LYS  35  -7.540  -9.566  -6.642
  266    HE3  LYS  35           1HE      LYS  35  -7.163 -11.269  -6.326
  267    HZ1  LYS  35           3HZ      LYS  35  -9.642 -11.507  -5.857
  268    HZ2  LYS  35           1HZ      LYS  35  -9.185 -11.325  -7.481
  269    HZ3  LYS  35           2HZ      LYS  35  -9.823 -10.003  -6.629
  270    H    PHE  36           H        PHE  36  -4.802  -5.740  -5.358
  271    HA   PHE  36           HA       PHE  36  -5.398  -4.246  -2.831
  272    HD1  PHE  36           HD2      PHE  36  -5.379  -2.233  -2.264
  273    HD2  PHE  36           HD1      PHE  36  -3.017  -1.394  -5.753
  274    HE1  PHE  36           HE2      PHE  36  -5.638   0.196  -1.856
  275    HE2  PHE  36           HE1      PHE  36  -3.277   1.035  -5.342
  276    HZ   PHE  36           HZ       PHE  36  -4.587   1.827  -3.396
  277    HB2  PHE  36           2HB      PHE  36  -3.183  -3.833  -3.724
  278    HB3  PHE  36           1HB      PHE  36  -3.819  -3.613  -5.348
  279    H    THR  37           H        THR  37  -7.245  -2.933  -2.856
  280    HA   THR  37           HA       THR  37  -8.445  -2.172  -5.466
  281    HB   THR  37           HB       THR  37 -10.343  -3.328  -3.500
  282    HG1  THR  37           HG1      THR  37  -8.731  -5.041  -5.081
  283   HG21  THR  37          3HG2      THR  37  -9.941  -3.308  -6.482
  284   HG22  THR  37          1HG2      THR  37 -11.290  -2.668  -5.542
  285   HG23  THR  37          2HG2      THR  37 -11.097  -4.410  -5.733
  286    H    VAL  38           H        VAL  38 -10.435  -0.753  -5.052
  287    HA   VAL  38           HA       VAL  38 -10.128   0.868  -2.548
  288    HB   VAL  38           HB       VAL  38 -10.601   1.850  -5.387
  289   HG11  VAL  38          1HG1      VAL  38 -10.073   3.328  -2.788
  290   HG12  VAL  38          2HG1      VAL  38 -11.598   3.307  -3.675
  291   HG13  VAL  38          3HG1      VAL  38 -10.177   4.081  -4.379
  292   HG21  VAL  38          3HG2      VAL  38  -8.326   1.055  -5.210
  293   HG22  VAL  38          1HG2      VAL  38  -8.125   1.818  -3.633
  294   HG23  VAL  38          2HG2      VAL  38  -8.274   2.813  -5.081
  295    H    LYS  39           H        LYS  39 -12.100   1.321  -1.543
  296    HA   LYS  39           HA       LYS  39 -14.612   0.833  -3.100
  297    HB2  LYS  39           2HB      LYS  39 -13.469  -0.544  -0.788
  298    HB3  LYS  39           1HB      LYS  39 -15.104   0.037  -0.470
  299    HG2  LYS  39           2HG      LYS  39 -15.968  -1.121  -2.406
  300    HG3  LYS  39           1HG      LYS  39 -14.340  -1.548  -2.936
  301    HD2  LYS  39           2HD      LYS  39 -14.582  -3.470  -1.778
  302    HD3  LYS  39           1HD      LYS  39 -14.474  -2.497  -0.310
  303    HE2  LYS  39           2HE      LYS  39 -16.553  -3.384   0.114
  304    HE3  LYS  39           1HE      LYS  39 -17.107  -2.118  -0.997
  305    HZ1  LYS  39           3HZ      LYS  39 -16.789  -3.649  -2.847
  306    HZ2  LYS  39           1HZ      LYS  39 -17.877  -4.300  -1.721
  307    HZ3  LYS  39           2HZ      LYS  39 -16.277  -4.868  -1.779
  308    HA   PRO  40           HA       PRO  40 -14.934   4.870  -0.926
  309    HB2  PRO  40           2HB      PRO  40 -16.010   6.235  -3.033
  310    HB3  PRO  40           1HB      PRO  40 -14.263   6.014  -2.822
  311    HG2  PRO  40           2HG      PRO  40 -16.132   4.644  -4.664
  312    HG3  PRO  40           1HG      PRO  40 -14.423   5.043  -4.877
  313    HD2  PRO  40           2HD      PRO  40 -15.431   2.535  -4.228
  314    HD3  PRO  40           1HD      PRO  40 -13.747   3.058  -4.024
  315    H    TYR  41           H        TYR  41 -16.941   6.008  -0.298
  316    HA   TYR  41           HA       TYR  41 -19.449   4.491  -0.939
  317    HD1  TYR  41           HD1      TYR  41 -19.153   2.362   0.493
  318    HD2  TYR  41           HD2      TYR  41 -16.852   5.264   2.666
  319    HE1  TYR  41           HE1      TYR  41 -17.570   0.586   1.187
  320    HE2  TYR  41           HE2      TYR  41 -15.269   3.490   3.360
  321    HH   TYR  41           HH       TYR  41 -15.310   0.337   1.964
  322    HB2  TYR  41           2HB      TYR  41 -18.857   5.918   1.655
  323    HB3  TYR  41           1HB      TYR  41 -20.079   4.695   1.345
  324    H    LEU  42           H        LEU  42 -21.387   5.975  -0.128
  325    HA   LEU  42           HA       LEU  42 -20.924   8.846  -0.741
  326    HG   LEU  42           HG       LEU  42 -22.311  10.000  -2.149
  327    HB2  LEU  42           2HB      LEU  42 -21.506   7.188  -2.758
  328    HB3  LEU  42           1HB      LEU  42 -23.146   7.446  -2.163
  329   HD11  LEU  42          1HD1      LEU  42 -20.647  10.507  -3.653
  330   HD12  LEU  42          2HD1      LEU  42 -20.999   9.115  -4.676
  331   HD13  LEU  42          3HD1      LEU  42 -20.087   8.904  -3.182
  332   HD21  LEU  42          3HD2      LEU  42 -24.266   8.948  -3.368
  333   HD22  LEU  42          1HD2      LEU  42 -23.166   8.609  -4.704
  334   HD23  LEU  42          2HD2      LEU  42 -23.496  10.277  -4.234
  335    H    LYS  43           H        LYS  43 -22.513  10.196   0.163
  336    HA   LYS  43           HA       LYS  43 -24.747   8.893   1.672
  337    HB2  LYS  43           2HB      LYS  43 -22.461   9.725   2.827
  338    HB3  LYS  43           1HB      LYS  43 -23.319  11.263   2.792
  339    HG2  LYS  43           2HG      LYS  43 -25.019  10.503   4.199
  340    HG3  LYS  43           1HG      LYS  43 -24.739   8.811   3.788
  341    HD2  LYS  43           2HD      LYS  43 -23.510   8.641   5.668
  342    HD3  LYS  43           1HD      LYS  43 -22.319   9.697   4.908
  343    HE2  LYS  43           2HE      LYS  43 -23.901  11.635   5.728
  344    HE3  LYS  43           1HE      LYS  43 -24.495  10.408   6.865
  345    HZ1  LYS  43           3HZ      LYS  43 -22.137   9.927   7.416
  346    HZ2  LYS  43           1HZ      LYS  43 -22.622  11.492   7.857
  347    HZ3  LYS  43           2HZ      LYS  43 -21.673  11.260   6.468
  348    H    ARG  44           H        ARG  44 -26.270  10.784   2.464
  349    HA   ARG  44           HA       ARG  44 -27.627  12.002   0.408
  350    HE   ARG  44           HE       ARG  44 -30.389  13.815   2.872
  351    HB2  ARG  44           2HB      ARG  44 -27.133  12.730   3.280
  352    HB3  ARG  44           1HB      ARG  44 -28.135  13.782   2.279
  353    HG2  ARG  44           2HG      ARG  44 -28.620  10.803   2.453
  354    HG3  ARG  44           1HG      ARG  44 -29.362  11.939   3.580
  355    HD2  ARG  44           2HD      ARG  44 -29.589  12.327   0.585
  356    HD3  ARG  44           1HD      ARG  44 -30.749  11.334   1.488
  357   HH11  ARG  44          2HH1      ARG  44 -33.085  12.773   2.399
  358   HH12  ARG  44          1HH1      ARG  44 -33.725  13.842   1.197
  359   HH21  ARG  44          1HH2      ARG  44 -30.614  15.086   0.272
  360   HH22  ARG  44          2HH2      ARG  44 -32.321  15.159  -0.012
  361    H    PHE  45           H        PHE  45 -24.789  13.386   2.071
  362    HA   PHE  45           HA       PHE  45 -24.318  15.140  -0.262
  363    HD1  PHE  45           HD1      PHE  45 -26.351  14.867   3.254
  364    HD2  PHE  45           HD2      PHE  45 -22.973  17.514   3.059
  365    HE1  PHE  45           HE1      PHE  45 -26.104  14.733   5.716
  366    HE2  PHE  45           HE2      PHE  45 -22.726  17.379   5.522
  367    HZ   PHE  45           HZ       PHE  45 -24.290  15.988   6.851
  368    HB2  PHE  45           2HB      PHE  45 -24.321  17.168   1.130
  369    HB3  PHE  45           1HB      PHE  45 -25.880  16.359   1.241
  370    H    GLN  46           H        GLN  46 -22.890  12.861   1.098
  371    HA   GLN  46           HA       GLN  46 -20.271  14.247   1.459
  372    HB2  GLN  46           2HB      GLN  46 -21.768  12.512   3.415
  373    HB3  GLN  46           1HB      GLN  46 -20.007  12.563   3.456
  374    HG2  GLN  46           2HG      GLN  46 -19.963  14.863   3.980
  375    HG3  GLN  46           1HG      GLN  46 -21.624  15.108   3.445
  376   HE21  GLN  46          1HE2      GLN  46 -20.081  15.337   6.218
  377   HE22  GLN  46          2HE2      GLN  46 -21.165  14.589   7.288
  378    H    VAL  47           H        VAL  47 -18.616  13.083   0.490
  379    HA   VAL  47           HA       VAL  47 -19.249  10.300  -0.427
  380    HB   VAL  47           HB       VAL  47 -17.293  12.299  -1.609
  381   HG11  VAL  47          1HG1      VAL  47 -18.404   9.621  -2.450
  382   HG12  VAL  47          2HG1      VAL  47 -16.718  10.123  -2.338
  383   HG13  VAL  47          3HG1      VAL  47 -17.739  10.745  -3.635
  384   HG21  VAL  47          3HG2      VAL  47 -19.204  12.334  -3.428
  385   HG22  VAL  47          1HG2      VAL  47 -19.342  13.366  -2.004
  386   HG23  VAL  47          2HG2      VAL  47 -20.232  11.846  -2.081
  387    H    TYR  48           H        TYR  48 -18.120   8.805   0.742
  388    HA   TYR  48           HA       TYR  48 -15.594   9.607   2.100
  389    HD1  TYR  48           HD2      TYR  48 -15.484   9.003   4.895
  390    HD2  TYR  48           HD1      TYR  48 -19.352   8.814   3.034
  391    HE1  TYR  48           HE2      TYR  48 -16.417  10.438   6.688
  392    HE2  TYR  48           HE1      TYR  48 -20.283  10.250   4.826
  393    HH   TYR  48           HH       TYR  48 -18.776  10.802   7.713
  394    HB2  TYR  48           2HB      TYR  48 -17.576   7.333   2.332
  395    HB3  TYR  48           1HB      TYR  48 -16.027   7.293   3.172
  396    H    TYR  49           H        TYR  49 -13.676   8.262   1.855
  397    HA   TYR  49           HA       TYR  49 -13.666   6.545  -0.601
  398    HD1  TYR  49           HD2      TYR  49 -13.906  10.086  -0.104
  399    HD2  TYR  49           HD1      TYR  49 -11.853   7.786  -3.097
  400    HE1  TYR  49           HE2      TYR  49 -15.000  11.421  -1.881
  401    HE2  TYR  49           HE1      TYR  49 -12.948   9.126  -4.873
  402    HH   TYR  49           HH       TYR  49 -15.598  10.942  -4.437
  403    HB2  TYR  49           2HB      TYR  49 -11.795   8.700   0.382
  404    HB3  TYR  49           1HB      TYR  49 -11.288   7.516  -0.813
  405    H    LYS  50           H        LYS  50 -12.882   4.499  -0.184
  406    HA   LYS  50           HA       LYS  50 -11.034   4.131   2.143
  407    HB2  LYS  50           2HB      LYS  50 -13.511   3.614   2.548
  408    HB3  LYS  50           1HB      LYS  50 -13.313   2.278   1.418
  409    HG2  LYS  50           2HG      LYS  50 -12.227   1.016   2.949
  410    HG3  LYS  50           1HG      LYS  50 -11.199   2.363   3.443
  411    HD2  LYS  50           2HD      LYS  50 -12.833   3.193   4.959
  412    HD3  LYS  50           1HD      LYS  50 -14.099   2.176   4.271
  413    HE2  LYS  50           2HE      LYS  50 -13.482   0.365   5.516
  414    HE3  LYS  50           1HE      LYS  50 -11.753   0.680   5.273
  415    HZ1  LYS  50           3HZ      LYS  50 -13.550   2.239   7.061
  416    HZ2  LYS  50           1HZ      LYS  50 -11.891   2.524   6.824
  417    HZ3  LYS  50           2HZ      LYS  50 -12.409   1.090   7.578
  418    H    GLY  51           H        GLY  51  -9.689   2.200   1.936
  419    HA2  GLY  51           2HA      GLY  51  -9.750   0.782  -0.647
  420    HA3  GLY  51           1HA      GLY  51  -8.294   1.710  -0.309
  421    H    ARG  52           H        ARG  52  -8.680  -1.235  -0.563
  422    HA   ARG  52           HA       ARG  52  -7.405  -2.004   2.022
  423    HE   ARG  52           HE       ARG  52 -10.688  -5.190   3.146
  424    HB2  ARG  52           2HB      ARG  52 -10.021  -2.785   0.910
  425    HB3  ARG  52           1HB      ARG  52  -9.022  -4.155   1.388
  426    HG2  ARG  52           2HG      ARG  52  -9.051  -1.922   3.319
  427    HG3  ARG  52           1HG      ARG  52 -10.601  -2.736   3.110
  428    HD2  ARG  52           2HD      ARG  52  -8.199  -4.491   3.381
  429    HD3  ARG  52           1HD      ARG  52  -8.761  -3.655   4.841
  430   HH11  ARG  52          2HH1      ARG  52 -11.740  -3.839   5.550
  431   HH12  ARG  52          1HH1      ARG  52 -11.663  -5.081   6.758
  432   HH21  ARG  52          1HH2      ARG  52  -9.449  -7.057   4.951
  433   HH22  ARG  52          2HH2      ARG  52 -10.358  -6.909   6.418
  434    H    MET  53           H        MET  53  -5.802  -3.620   1.734
  435    HA   MET  53           HA       MET  53  -5.641  -5.017  -0.876
  436    HB2  MET  53           2HB      MET  53  -3.585  -4.063  -1.494
  437    HB3  MET  53           1HB      MET  53  -4.473  -2.697  -0.837
  438    HG2  MET  53           2HG      MET  53  -2.697  -2.359   0.516
  439    HG3  MET  53           1HG      MET  53  -3.218  -3.794   1.397
  440    HE1  MET  53           3HE      MET  53  -1.296  -2.177  -1.238
  441    HE2  MET  53           1HE      MET  53  -1.508  -3.522  -2.369
  442    HE3  MET  53           2HE      MET  53   0.071  -3.211  -1.651
  443    H    TRP  54           H        TRP  54  -4.355  -6.899  -0.819
  444    HA   TRP  54           HA       TRP  54  -2.788  -7.634   1.541
  445    HD1  TRP  54           HD1      TRP  54  -5.049 -11.200   0.436
  446    HE1  TRP  54           HE1      TRP  54  -7.146 -11.368  -1.055
  447    HE3  TRP  54           HE3      TRP  54  -6.901  -6.467   0.967
  448    HZ2  TRP  54           HZ2      TRP  54  -9.313  -9.713  -1.917
  449    HZ3  TRP  54           HZ3      TRP  54  -8.977  -5.791  -0.203
  450    HH2  TRP  54           HH2      TRP  54 -10.185  -7.407  -1.642
  451    HB2  TRP  54           2HB      TRP  54  -4.300  -9.441   2.261
  452    HB3  TRP  54           1HB      TRP  54  -5.135  -7.892   2.318
  453    H    CYS  55           H        CYS  55  -1.589  -9.605   1.180
  454    HA   CYS  55           HA       CYS  55  -1.669 -10.544  -1.660
  455    HB2  CYS  55           2HB      CYS  55   0.547 -10.546   0.404
  456    HB3  CYS  55           1HB      CYS  55   0.718 -11.065  -1.269
  457    HA   PRO  56           HA       PRO  56  -3.013 -14.232   0.699
  458    HB2  PRO  56           2HB      PRO  56  -4.621 -15.223  -1.283
  459    HB3  PRO  56           1HB      PRO  56  -5.168 -14.001  -0.119
  460    HG2  PRO  56           2HG      PRO  56  -4.295 -13.672  -2.940
  461    HG3  PRO  56           1HG      PRO  56  -5.568 -12.828  -2.047
  462    HD2  PRO  56           2HD      PRO  56  -3.096 -11.771  -2.562
  463    HD3  PRO  56           1HD      PRO  56  -4.121 -11.277  -1.213
  464    H    GLY  57           H        GLY  57  -0.800 -15.022   0.453
  465    HA2  GLY  57           2HA      GLY  57  -0.226 -17.366  -0.692
  466    HA3  GLY  57           1HA      GLY  57  -0.089 -16.322  -2.107
  467    H    TRP  58           H        TRP  58   1.101 -14.059  -1.052
  468    HA   TRP  58           HA       TRP  58   3.867 -14.873  -0.811
  469    HD1  TRP  58           HD1      TRP  58   5.808 -14.081  -0.867
  470    HE1  TRP  58           HE1      TRP  58   7.767 -12.489  -0.352
  471    HE3  TRP  58           HE3      TRP  58   3.240  -9.723  -0.170
  472    HZ2  TRP  58           HZ2      TRP  58   8.190  -9.729   0.272
  473    HZ3  TRP  58           HZ3      TRP  58   4.443  -7.629   0.383
  474    HH2  TRP  58           HH2      TRP  58   6.913  -7.626   0.606
  475    HB2  TRP  58           2HB      TRP  58   3.012 -12.784  -1.883
  476    HB3  TRP  58           1HB      TRP  58   2.524 -12.197  -0.301
  477    H    THR  59           H        THR  59   1.607 -13.290   1.478
  478    HA   THR  59           HA       THR  59   2.936 -14.650   3.736
  479    HB   THR  59           HB       THR  59   4.201 -12.522   3.205
  480    HG1  THR  59           HG1      THR  59   4.508 -12.901   5.247
  481   HG21  THR  59          3HG2      THR  59   3.199 -10.428   3.306
  482   HG22  THR  59          1HG2      THR  59   1.883 -10.992   4.335
  483   HG23  THR  59          2HG2      THR  59   1.887 -11.381   2.615
  484    H    ALA  60           H        ALA  60   1.750 -13.378   5.829
  485    HA   ALA  60           HA       ALA  60  -1.181 -13.565   5.227
  486    HB1  ALA  60           3HB      ALA  60  -0.399 -15.456   6.515
  487    HB2  ALA  60           1HB      ALA  60  -1.280 -14.403   7.622
  488    HB3  ALA  60           2HB      ALA  60   0.483 -14.403   7.621
  489    H    ILE  61           H        ILE  61  -0.435 -11.083   4.843
  490    HA   ILE  61           HA       ILE  61  -1.166  -9.648   7.357
  491    HB   ILE  61           HB       ILE  61   1.372  -9.760   6.688
  492   HG12  ILE  61          2HG1      ILE  61   0.176  -7.018   7.137
  493   HG13  ILE  61          1HG1      ILE  61   0.227  -8.250   8.399
  494   HG21  ILE  61          1HG2      ILE  61   0.664  -8.984   4.279
  495   HG22  ILE  61          2HG2      ILE  61   2.133  -8.330   5.003
  496   HG23  ILE  61          3HG2      ILE  61   0.649  -7.376   5.004
  497   HD11  ILE  61          3HD1      ILE  61   2.492  -6.781   7.094
  498   HD12  ILE  61          1HD1      ILE  61   2.772  -8.408   7.713
  499   HD13  ILE  61          2HD1      ILE  61   2.227  -7.133   8.802
  500    H    ARG  62           H        ARG  62  -2.339  -7.683   6.975
  501    HA   ARG  62           HA       ARG  62  -3.089  -7.142   4.136
  502    HE   ARG  62           HE       ARG  62  -5.420 -10.255   8.738
  503    HB2  ARG  62           2HB      ARG  62  -5.438  -6.678   5.343
  504    HB3  ARG  62           1HB      ARG  62  -5.000  -8.270   4.743
  505    HG2  ARG  62           2HG      ARG  62  -4.182  -7.564   7.535
  506    HG3  ARG  62           1HG      ARG  62  -5.886  -7.906   7.239
  507    HD2  ARG  62           2HD      ARG  62  -4.678  -9.969   5.870
  508    HD3  ARG  62           1HD      ARG  62  -3.588  -9.762   7.255
  509   HH11  ARG  62          1HH2      ARG  62  -5.979 -12.396   6.741
  510   HH12  ARG  62          2HH2      ARG  62  -7.657 -12.152   6.388
  511   HH21  ARG  62          2HH1      ARG  62  -7.743  -8.945   7.724
  512   HH22  ARG  62          1HH1      ARG  62  -8.658 -10.190   6.943
  513    H    GLY  63           H        GLY  63  -3.852  -4.973   3.755
  514    HA2  GLY  63           2HA      GLY  63  -3.347  -3.028   5.960
  515    HA3  GLY  63           1HA      GLY  63  -2.544  -2.797   4.407
  516    H    GLU  64           H        GLU  64  -4.532  -1.041   5.718
  517    HA   GLU  64           HA       GLU  64  -6.325  -0.726   3.403
  518    HB2  GLU  64           2HB      GLU  64  -8.308  -0.696   5.063
  519    HB3  GLU  64           1HB      GLU  64  -7.652  -2.261   4.612
  520    HG2  GLU  64           2HG      GLU  64  -7.798  -2.471   6.932
  521    HG3  GLU  64           1HG      GLU  64  -6.136  -1.926   6.740
  522    H    ALA  65           H        ALA  65  -7.465   1.344   3.457
  523    HA   ALA  65           HA       ALA  65  -6.599   3.276   5.557
  524    HB1  ALA  65           3HB      ALA  65  -4.890   3.273   3.775
  525    HB2  ALA  65           1HB      ALA  65  -5.766   4.803   3.795
  526    HB3  ALA  65           2HB      ALA  65  -6.142   3.588   2.572
  527    H    SER  66           H        SER  66  -8.019   5.073   5.752
  528    HA   SER  66           HA       SER  66 -10.363   5.178   3.895
  529    HG   SER  66           HG       SER  66  -9.844   3.470   6.819
  530    HB2  SER  66           2HB      SER  66 -10.687   5.463   6.870
  531    HB3  SER  66           1HB      SER  66 -11.895   5.025   5.671
  532    H    THR  67           H        THR  67 -11.037   7.258   3.470
  533    HA   THR  67           HA       THR  67 -10.721   9.558   5.145
  534    HB   THR  67           HB       THR  67  -8.332   9.131   4.773
  535    HG1  THR  67           HG1      THR  67  -8.698  11.268   4.833
  536   HG21  THR  67          3HG2      THR  67  -8.492   7.854   2.694
  537   HG22  THR  67          1HG2      THR  67  -7.392   9.215   2.481
  538   HG23  THR  67          2HG2      THR  67  -9.028   9.294   1.829
  539    H    ARG  68           H        ARG  68 -10.392  11.562   3.214
  540    HA   ARG  68           HA       ARG  68 -12.817  11.149   1.527
  541    HE   ARG  68           HE       ARG  68 -15.743  13.211   0.096
  542    HB2  ARG  68           2HB      ARG  68 -11.883  13.192   3.202
  543    HB3  ARG  68           1HB      ARG  68 -11.641  13.819   1.571
  544    HG2  ARG  68           2HG      ARG  68 -14.231  12.456   1.999
  545    HG3  ARG  68           1HG      ARG  68 -14.017  13.943   2.923
  546    HD2  ARG  68           2HD      ARG  68 -13.739  15.259   0.972
  547    HD3  ARG  68           1HD      ARG  68 -13.386  13.840  -0.036
  548   HH11  ARG  68          1HH2      ARG  68 -15.602  16.279  -0.517
  549   HH12  ARG  68          2HH2      ARG  68 -16.911  16.839   0.469
  550   HH21  ARG  68          2HH1      ARG  68 -17.147  13.888   2.291
  551   HH22  ARG  68          1HH1      ARG  68 -17.793  15.477   2.061
  552    H    SER  69           H        SER  69  -9.346  11.635   1.292
  553    HA   SER  69           HA       SER  69  -9.143  12.631  -1.374
  554    HG   SER  69           HG       SER  69  -7.136  12.083   1.511
  555    HB2  SER  69           2HB      SER  69  -7.258  10.686  -0.028
  556    HB3  SER  69           1HB      SER  69  -6.855  11.949  -1.185
  557    H    GLN  70           H        GLN  70  -8.744  11.480  -3.350
  558    HA   GLN  70           HA       GLN  70 -10.124   8.866  -3.525
  559    HB2  GLN  70           2HB      GLN  70 -10.591  10.875  -4.999
  560    HB3  GLN  70           1HB      GLN  70  -8.989  10.650  -5.699
  561    HG2  GLN  70           2HG      GLN  70  -9.567   8.532  -6.612
  562    HG3  GLN  70           1HG      GLN  70 -11.022   8.415  -5.622
  563   HE21  GLN  70          1HE2      GLN  70 -12.768   8.576  -7.062
  564   HE22  GLN  70          2HE2      GLN  70 -12.917   9.764  -8.264
  565    H    SER  71           H        SER  71  -7.069  10.263  -4.815
  566    HA   SER  71           HA       SER  71  -5.949   7.601  -5.305
  567    HG   SER  71           HG       SER  71  -4.804  11.350  -6.139
  568    HB2  SER  71           2HB      SER  71  -3.972   9.023  -6.000
  569    HB3  SER  71           1HB      SER  71  -5.476   9.420  -6.825
  570    H    GLY  72           H        GLY  72  -5.728  10.078  -2.803
  571    HA2  GLY  72           2HA      GLY  72  -3.318   9.256  -1.534
  572    HA3  GLY  72           1HA      GLY  72  -4.646  10.084  -0.722
  573    H    VAL  73           H        VAL  73  -6.693   8.175  -0.976
  574    HA   VAL  73           HA       VAL  73  -6.169   6.416   1.195
  575    HB   VAL  73           HB       VAL  73  -8.374   7.267   0.089
  576   HG11  VAL  73          1HG1      VAL  73  -7.822   6.221  -2.142
  577   HG12  VAL  73          2HG1      VAL  73  -9.413   5.800  -1.511
  578   HG13  VAL  73          3HG1      VAL  73  -8.084   4.645  -1.397
  579   HG21  VAL  73          3HG2      VAL  73  -8.705   5.979   1.995
  580   HG22  VAL  73          1HG2      VAL  73  -7.840   4.592   1.333
  581   HG23  VAL  73          2HG2      VAL  73  -9.472   4.960   0.780
  582    H    ALA  74           H        ALA  74  -5.921   5.863  -2.313
  583    HA   ALA  74           HA       ALA  74  -5.427   3.037  -2.189
  584    HB1  ALA  74           3HB      ALA  74  -4.470   3.484  -4.487
  585    HB2  ALA  74           1HB      ALA  74  -4.657   5.208  -4.165
  586    HB3  ALA  74           2HB      ALA  74  -6.078   4.166  -4.243
  587    H    GLY  75           H        GLY  75  -3.196   5.830  -2.349
  588    HA2  GLY  75           2HA      GLY  75  -0.789   4.291  -2.207
  589    HA3  GLY  75           1HA      GLY  75  -0.926   5.998  -1.782
  590    H    LYS  76           H        LYS  76  -2.885   5.739   0.271
  591    HA   LYS  76           HA       LYS  76  -1.266   5.167   2.553
  592    HB2  LYS  76           2HB      LYS  76  -4.080   5.851   1.909
  593    HB3  LYS  76           1HB      LYS  76  -3.833   5.069   3.468
  594    HG2  LYS  76           2HG      LYS  76  -1.773   6.998   3.207
  595    HG3  LYS  76           1HG      LYS  76  -3.268   7.792   2.716
  596    HD2  LYS  76           2HD      LYS  76  -2.912   8.016   5.148
  597    HD3  LYS  76           1HD      LYS  76  -4.353   7.057   4.809
  598    HE2  LYS  76           2HE      LYS  76  -3.418   5.116   5.625
  599    HE3  LYS  76           1HE      LYS  76  -1.789   5.549   5.073
  600    HZ1  LYS  76           3HZ      LYS  76  -1.895   7.385   6.789
  601    HZ2  LYS  76           1HZ      LYS  76  -1.746   5.808   7.395
  602    HZ3  LYS  76           2HZ      LYS  76  -3.254   6.590   7.432
  603    H    THR  77           H        THR  77  -3.803   3.236   0.913
  604    HA   THR  77           HA       THR  77  -3.847   1.063   2.765
  605    HB   THR  77           HB       THR  77  -4.388   1.261  -0.218
  606    HG1  THR  77           HG1      THR  77  -5.981   2.348   0.621
  607   HG21  THR  77          3HG2      THR  77  -4.003  -1.078   0.369
  608   HG22  THR  77          1HG2      THR  77  -5.725  -0.814   0.095
  609   HG23  THR  77          2HG2      THR  77  -5.103  -0.941   1.740
  610    H    ALA  78           H        ALA  78  -1.863   1.643  -0.136
  611    HA   ALA  78           HA       ALA  78  -0.453  -0.899   0.063
  612    HB1  ALA  78           3HB      ALA  78  -0.809   0.323  -2.051
  613    HB2  ALA  78           1HB      ALA  78   0.916   0.143  -1.736
  614    HB3  ALA  78           2HB      ALA  78   0.120   1.685  -1.426
  615    H    LYS  79           H        LYS  79   0.164   2.452   1.070
  616    HA   LYS  79           HA       LYS  79   2.895   2.049   1.928
  617    HB2  LYS  79           2HB      LYS  79   1.387   4.185   1.434
  618    HB3  LYS  79           1HB      LYS  79   1.059   4.077   3.162
  619    HG2  LYS  79           2HG      LYS  79   3.904   3.781   2.441
  620    HG3  LYS  79           1HG      LYS  79   3.221   5.365   2.073
  621    HD2  LYS  79           2HD      LYS  79   2.815   4.041   4.758
  622    HD3  LYS  79           1HD      LYS  79   4.218   5.053   4.422
  623    HE2  LYS  79           2HE      LYS  79   1.553   6.189   3.690
  624    HE3  LYS  79           1HE      LYS  79   1.943   6.091   5.419
  625    HZ1  LYS  79           3HZ      LYS  79   2.804   8.145   4.515
  626    HZ2  LYS  79           1HZ      LYS  79   3.642   7.305   3.301
  627    HZ3  LYS  79           2HZ      LYS  79   4.101   7.124   4.927
  628    H    ASP  80           H        ASP  80  -0.258   1.842   3.580
  629    HA   ASP  80           HA       ASP  80   0.822   1.432   6.233
  630    HB2  ASP  80           2HB      ASP  80  -1.824   0.873   4.859
  631    HB3  ASP  80           1HB      ASP  80  -1.570   0.516   6.563
  632    H    PHE  81           H        PHE  81  -0.061  -0.715   3.547
  633    HA   PHE  81           HA       PHE  81   0.203  -3.214   4.958
  634    HD1  PHE  81           HD1      PHE  81   2.398  -4.019   1.702
  635    HD2  PHE  81           HD2      PHE  81  -1.413  -5.272   3.240
  636    HE1  PHE  81           HE1      PHE  81   2.970  -6.377   1.197
  637    HE2  PHE  81           HE2      PHE  81  -0.839  -7.631   2.734
  638    HZ   PHE  81           HZ       PHE  81   1.353  -8.184   1.715
  639    HB2  PHE  81           2HB      PHE  81  -0.970  -2.941   2.817
  640    HB3  PHE  81           1HB      PHE  81   0.522  -2.415   2.042
  641    H    VAL  82           H        VAL  82   2.495  -1.222   3.070
  642    HA   VAL  82           HA       VAL  82   4.716  -3.038   3.195
  643    HB   VAL  82           HB       VAL  82   4.568  -0.011   2.972
  644   HG11  VAL  82          1HG1      VAL  82   6.823  -0.199   3.283
  645   HG12  VAL  82          2HG1      VAL  82   6.813  -0.774   1.616
  646   HG13  VAL  82          3HG1      VAL  82   6.824  -1.930   2.947
  647   HG21  VAL  82          3HG2      VAL  82   4.162  -0.290   0.738
  648   HG22  VAL  82          1HG2      VAL  82   3.534  -1.855   1.249
  649   HG23  VAL  82          2HG2      VAL  82   5.179  -1.726   0.633
  650    H    ARG  83           H        ARG  83   3.615  -0.421   5.363
  651    HA   ARG  83           HA       ARG  83   5.877  -0.452   7.137
  652    HE   ARG  83           HE       ARG  83   5.933   3.276  10.010
  653    HB2  ARG  83           2HB      ARG  83   3.844   1.182   6.849
  654    HB3  ARG  83           1HB      ARG  83   3.041   0.113   7.998
  655    HG2  ARG  83           2HG      ARG  83   4.046   1.780   9.353
  656    HG3  ARG  83           1HG      ARG  83   5.140   0.401   9.469
  657    HD2  ARG  83           2HD      ARG  83   6.617   1.393   7.765
  658    HD3  ARG  83           1HD      ARG  83   5.502   2.762   7.581
  659   HH11  ARG  83          2HH1      ARG  83   7.435   0.556  10.333
  660   HH12  ARG  83          1HH1      ARG  83   9.062   1.129  10.478
  661   HH21  ARG  83          1HH2      ARG  83   8.325   4.323   9.332
  662   HH22  ARG  83          2HH2      ARG  83   9.565   3.262   9.917
  663    H    LYS  84           H        LYS  84   2.818  -2.319   7.107
  664    HA   LYS  84           HA       LYS  84   3.305  -3.690   9.616
  665    HB2  LYS  84           2HB      LYS  84   1.539  -4.064   7.195
  666    HB3  LYS  84           1HB      LYS  84   1.573  -5.288   8.466
  667    HG2  LYS  84           2HG      LYS  84   0.976  -3.592  10.142
  668    HG3  LYS  84           1HG      LYS  84   0.975  -2.345   8.894
  669    HD2  LYS  84           2HD      LYS  84  -1.293  -2.897   9.018
  670    HD3  LYS  84           1HD      LYS  84  -0.742  -3.923   7.694
  671    HE2  LYS  84           2HE      LYS  84  -0.758  -5.870   9.025
  672    HE3  LYS  84           1HE      LYS  84  -0.701  -4.945  10.538
  673    HZ1  LYS  84           3HZ      LYS  84  -2.884  -4.044  10.040
  674    HZ2  LYS  84           1HZ      LYS  84  -2.949  -5.737  10.080
  675    HZ3  LYS  84           2HZ      LYS  84  -2.948  -4.925   8.585
  676    H    ALA  85           H        ALA  85   4.154  -4.327   6.231
  677    HA   ALA  85           HA       ALA  85   5.190  -7.009   6.741
  678    HB1  ALA  85           3HB      ALA  85   6.206  -6.486   4.397
  679    HB2  ALA  85           1HB      ALA  85   5.271  -4.993   4.491
  680    HB3  ALA  85           2HB      ALA  85   4.449  -6.554   4.535
  681    H    PHE  86           H        PHE  86   6.421  -3.721   6.821
  682    HA   PHE  86           HA       PHE  86   9.246  -4.334   6.785
  683    HD1  PHE  86           HD2      PHE  86  11.131  -2.671   7.650
  684    HD2  PHE  86           HD1      PHE  86   8.235  -1.061   4.918
  685    HE1  PHE  86           HE2      PHE  86  12.961  -1.880   6.175
  686    HE2  PHE  86           HE1      PHE  86  10.064  -0.269   3.444
  687    HZ   PHE  86           HZ       PHE  86  12.428  -0.678   4.072
  688    HB2  PHE  86           2HB      PHE  86   7.500  -2.083   6.867
  689    HB3  PHE  86           1HB      PHE  86   8.567  -1.941   8.260
  690    H    GLN  87           H        GLN  87   6.855  -3.806   9.409
  691    HA   GLN  87           HA       GLN  87   8.747  -4.016  11.573
  692    HB2  GLN  87           2HB      GLN  87   6.658  -4.331  12.926
  693    HB3  GLN  87           1HB      GLN  87   6.567  -2.956  11.830
  694    HG2  GLN  87           2HG      GLN  87   5.225  -4.209  10.267
  695    HG3  GLN  87           1HG      GLN  87   5.474  -5.703  11.168
  696   HE21  GLN  87          1HE2      GLN  87   4.052  -2.413  11.555
  697   HE22  GLN  87          2HE2      GLN  87   2.859  -2.900  12.658
  698    H    LYS  88           H        LYS  88   6.779  -6.435   9.860
  699    HA   LYS  88           HA       LYS  88   7.431  -8.621  11.664
  700    HB2  LYS  88           2HB      LYS  88   6.000  -8.147   9.112
  701    HB3  LYS  88           1HB      LYS  88   6.664  -9.771   9.303
  702    HG2  LYS  88           2HG      LYS  88   5.352 -10.238  11.169
  703    HG3  LYS  88           1HG      LYS  88   5.161  -8.535  11.587
  704    HD2  LYS  88           2HD      LYS  88   3.920  -8.453   9.237
  705    HD3  LYS  88           1HD      LYS  88   3.677 -10.169   9.566
  706    HE2  LYS  88           2HE      LYS  88   3.012  -9.094  11.996
  707    HE3  LYS  88           1HE      LYS  88   2.463  -7.815  10.893
  708    HZ1  LYS  88           3HZ      LYS  88   0.751  -9.502  11.147
  709    HZ2  LYS  88           1HZ      LYS  88   1.832 -10.713  10.656
  710    HZ3  LYS  88           2HZ      LYS  88   1.348  -9.513   9.556
  711    H    GLY  89           H        GLY  89   8.478  -7.863   8.312
  712    HA2  GLY  89           2HA      GLY  89  11.075  -7.940   8.160
  713    HA3  GLY  89           1HA      GLY  89  10.856  -9.583   8.750
  714    H    LEU  90           H        LEU  90   9.151  -7.636   6.262
  715    HA   LEU  90           HA       LEU  90   9.630  -9.896   4.353
  716    HG   LEU  90           HG       LEU  90   7.339 -10.747   5.473
  717    HB2  LEU  90           2HB      LEU  90   7.255  -8.341   5.160
  718    HB3  LEU  90           1HB      LEU  90   7.433  -8.522   3.416
  719   HD11  LEU  90          1HD1      LEU  90   5.138 -10.748   5.015
  720   HD12  LEU  90          2HD1      LEU  90   5.501 -11.054   3.317
  721   HD13  LEU  90          3HD1      LEU  90   5.353  -9.397   3.903
  722   HD21  LEU  90          3HD2      LEU  90   8.722 -11.785   3.969
  723   HD22  LEU  90          1HD2      LEU  90   8.329 -10.654   2.674
  724   HD23  LEU  90          2HD2      LEU  90   7.233 -11.984   3.046
  725    H    ILE  91           H        ILE  91   8.706  -6.427   4.255
  726    HA   ILE  91           HA       ILE  91  10.271  -6.084   1.776
  727    HB   ILE  91           HB       ILE  91   8.559  -4.168   3.404
  728   HG12  ILE  91          2HG1      ILE  91   7.838  -5.625   0.844
  729   HG13  ILE  91          1HG1      ILE  91   7.419  -6.246   2.440
  730   HG21  ILE  91          1HG2      ILE  91   9.693  -4.016   0.594
  731   HG22  ILE  91          2HG2      ILE  91  10.088  -2.959   1.950
  732   HG23  ILE  91          3HG2      ILE  91   8.479  -2.906   1.232
  733   HD11  ILE  91          3HD1      ILE  91   6.358  -3.941   2.868
  734   HD12  ILE  91          1HD1      ILE  91   5.507  -5.020   1.763
  735   HD13  ILE  91          2HD1      ILE  91   6.483  -3.695   1.126
  736    H    SER  92           H        SER  92  12.308  -6.563   3.036
  737    HA   SER  92           HA       SER  92  13.322  -4.891   5.115
  738    HG   SER  92           HG       SER  92  16.502  -6.197   3.887
  739    HB2  SER  92           2HB      SER  92  14.270  -7.051   4.560
  740    HB3  SER  92           1HB      SER  92  14.620  -6.531   2.915
  741    H    GLN  93           H        GLN  93  15.485  -3.579   4.603
  742    HA   GLN  93           HA       GLN  93  14.782  -1.208   3.168
  743    HB2  GLN  93           2HB      GLN  93  16.474  -1.584   5.053
  744    HB3  GLN  93           1HB      GLN  93  17.569  -2.210   3.822
  745    HG2  GLN  93           2HG      GLN  93  18.172   0.055   3.943
  746    HG3  GLN  93           1HG      GLN  93  17.060   0.024   2.573
  747   HE21  GLN  93          1HE2      GLN  93  15.010   1.093   2.809
  748   HE22  GLN  93          2HE2      GLN  93  14.604   1.997   4.186
  749    H    GLN  94           H        GLN  94  17.184  -3.733   2.314
  750    HA   GLN  94           HA       GLN  94  17.675  -2.720  -0.338
  751    HB2  GLN  94           2HB      GLN  94  18.869  -4.859  -0.603
  752    HB3  GLN  94           1HB      GLN  94  19.212  -4.163   0.978
  753    HG2  GLN  94           2HG      GLN  94  17.557  -5.641   2.022
  754    HG3  GLN  94           1HG      GLN  94  17.124  -6.299   0.444
  755   HE21  GLN  94          1HE2      GLN  94  18.390  -8.025  -0.351
  756   HE22  GLN  94          2HE2      GLN  94  19.810  -8.577   0.395
  757    H    GLU  95           H        GLU  95  15.289  -4.967   0.977
  758    HA   GLU  95           HA       GLU  95  14.441  -6.205  -1.466
  759    HB2  GLU  95           2HB      GLU  95  13.942  -6.711   1.041
  760    HB3  GLU  95           1HB      GLU  95  12.651  -5.521   0.864
  761    HG2  GLU  95           2HG      GLU  95  11.453  -7.373   0.236
  762    HG3  GLU  95           1HG      GLU  95  12.168  -7.006  -1.333
  763    H    ALA  96           H        ALA  96  13.247  -3.287   0.241
  764    HA   ALA  96           HA       ALA  96  11.173  -2.651  -1.648
  765    HB1  ALA  96           3HB      ALA  96  11.103  -1.638   0.499
  766    HB2  ALA  96           1HB      ALA  96  11.573  -0.316  -0.568
  767    HB3  ALA  96           2HB      ALA  96  12.791  -1.136   0.408
  768    H    ASN  97           H        ASN  97  14.612  -1.772  -1.441
  769    HA   ASN  97           HA       ASN  97  14.631   0.112  -3.615
  770    HB2  ASN  97           2HB      ASN  97  16.567  -1.463  -1.985
  771    HB3  ASN  97           1HB      ASN  97  17.162  -0.837  -3.523
  772   HD21  ASN  97          1HD2      ASN  97  16.795   1.591  -3.878
  773   HD22  ASN  97          2HD2      ASN  97  16.849   2.605  -2.519
  774    H    GLN  98           H        GLN  98  15.086  -3.421  -3.464
  775    HA   GLN  98           HA       GLN  98  15.931  -3.753  -6.195
  776    HB2  GLN  98           2HB      GLN  98  15.428  -5.334  -3.890
  777    HB3  GLN  98           1HB      GLN  98  14.429  -6.004  -5.179
  778    HG2  GLN  98           2HG      GLN  98  17.333  -5.323  -5.647
  779    HG3  GLN  98           1HG      GLN  98  16.854  -6.883  -4.974
  780   HE21  GLN  98          1HE2      GLN  98  15.772  -8.399  -6.385
  781   HE22  GLN  98          2HE2      GLN  98  15.613  -8.129  -8.053
  782    H    TRP  99           H        TRP  99  12.712  -3.817  -4.632
  783    HA   TRP  99           HA       TRP  99  11.249  -4.493  -7.031
  784    HD1  TRP  99           HD1      TRP  99   9.353  -5.583  -7.252
  785    HE1  TRP  99           HE1      TRP  99   6.874  -5.253  -7.878
  786    HE3  TRP  99           HE3      TRP  99   8.167  -1.705  -4.150
  787    HZ2  TRP  99           HZ2      TRP  99   4.679  -3.572  -7.151
  788    HZ3  TRP  99           HZ3      TRP  99   5.878  -0.767  -4.133
  789    HH2  TRP  99           HH2      TRP  99   4.134  -1.691  -5.635
  790    HB2  TRP  99           2HB      TRP  99  10.499  -4.626  -4.601
  791    HB3  TRP  99           1HB      TRP  99  10.304  -2.874  -4.650
  792    H    LEU 100           H        LEU 100  12.141  -1.413  -5.477
  793    HA   LEU 100           HA       LEU 100  10.745   0.385  -7.178
  794    HG   LEU 100           HG       LEU 100  11.109   0.427  -4.443
  795    HB2  LEU 100           2HB      LEU 100  13.338   0.512  -5.619
  796    HB3  LEU 100           1HB      LEU 100  12.748   1.907  -6.522
  797   HD11  LEU 100          1HD1      LEU 100  13.165   1.629  -3.547
  798   HD12  LEU 100          2HD1      LEU 100  11.623   2.193  -2.902
  799   HD13  LEU 100          3HD1      LEU 100  12.452   3.125  -4.151
  800   HD21  LEU 100          3HD2      LEU 100  10.720   2.917  -6.102
  801   HD22  LEU 100          1HD2      LEU 100   9.850   2.687  -4.586
  802   HD23  LEU 100          2HD2      LEU 100   9.631   1.543  -5.909
  803    H    SER 101           H        SER 101  13.904  -1.216  -7.601
  804    HA   SER 101           HA       SER 101  14.521   0.138 -10.111
  805    HG   SER 101           HG       SER 101  16.964  -0.474 -10.457
  806    HB2  SER 101           2HB      SER 101  16.159  -0.828  -8.448
  807    HB3  SER 101           1HB      SER 101  15.615  -2.433  -8.921
  808    H    SER 102           HN       SER 102  13.283  -3.074  -9.171
  809    HA   SER 102           HA       SER 102  12.135  -3.394 -11.901
  810    HG   SER 102           HG       SER 102  14.474  -3.691 -12.454
  811    HB2  SER 102           2HB      SER 102  14.219  -5.012 -10.512
  812    HB3  SER 102           1HB      SER 102  13.009  -5.902 -11.430
  Start of MODEL   10
    1    HA   GLU   1           HA       GLU   1  18.736  10.633  14.360
    2    H1   GLU   1           1H       GLU   1  18.914  12.036  16.242
    3    H2   GLU   1           2H       GLU   1  20.475  11.422  15.978
    4    H3   GLU   1           3H       GLU   1  19.510  10.789  17.225
    5    HB2  GLU   1           2HB      GLU   1  19.653   8.287  14.543
    6    HB3  GLU   1           1HB      GLU   1  20.888   9.541  14.632
    7    HG2  GLU   1           2HG      GLU   1  19.755   8.809  17.252
    8    HG3  GLU   1           1HG      GLU   1  20.597   7.487  16.446
    9    H    ALA   2           H        ALA   2  16.622  11.218  15.526
   10    HA   ALA   2           HA       ALA   2  15.229   8.711  16.283
   11    HB1  ALA   2           3HB      ALA   2  14.312  10.080  18.311
   12    HB2  ALA   2           1HB      ALA   2  15.729  11.098  18.058
   13    HB3  ALA   2           2HB      ALA   2  15.929   9.387  18.433
   14    H    TYR   3           H        TYR   3  12.808   9.205  16.566
   15    HA   TYR   3           HA       TYR   3  10.787  10.146  15.814
   16    HD1  TYR   3           HD1      TYR   3   9.455  12.515  14.240
   17    HD2  TYR   3           HD2      TYR   3  10.985  12.646  18.252
   18    HE1  TYR   3           HE1      TYR   3   7.235  13.252  15.063
   19    HE2  TYR   3           HE2      TYR   3   8.766  13.383  19.074
   20    HH   TYR   3           HH       TYR   3   6.602  14.735  17.563
   21    HB2  TYR   3           2HB      TYR   3  12.458  12.260  16.454
   22    HB3  TYR   3           1HB      TYR   3  11.972  12.640  14.803
   23    H    VAL   4           H        VAL   4  13.204  11.530  13.530
   24    HA   VAL   4           HA       VAL   4  11.546  10.778  11.229
   25    HB   VAL   4           HB       VAL   4  14.341  11.944  11.512
   26   HG11  VAL   4          1HG1      VAL   4  14.225  11.052   9.314
   27   HG12  VAL   4          2HG1      VAL   4  13.796  12.751   9.127
   28   HG13  VAL   4          3HG1      VAL   4  12.535  11.519   9.126
   29   HG21  VAL   4          3HG2      VAL   4  12.704  13.444  12.455
   30   HG22  VAL   4          1HG2      VAL   4  11.600  13.178  11.106
   31   HG23  VAL   4          2HG2      VAL   4  13.105  14.063  10.853
   32    H    GLN   5           H        GLN   5  11.869   8.994   9.893
   33    HA   GLN   5           HA       GLN   5  14.323   7.340  10.301
   34    HB2  GLN   5           2HB      GLN   5  12.989   5.362  10.650
   35    HB3  GLN   5           1HB      GLN   5  12.365   6.599  11.738
   36    HG2  GLN   5           2HG      GLN   5  11.151   6.313   9.004
   37    HG3  GLN   5           1HG      GLN   5  10.698   5.175  10.270
   38   HE21  GLN   5          1HE2      GLN   5   9.841   6.192  12.351
   39   HE22  GLN   5          2HE2      GLN   5   9.004   7.664  12.236
   40    H    GLY   6           H        GLY   6  14.882   6.046   8.469
   41    HA2  GLY   6           2HA      GLY   6  13.906   7.084   5.915
   42    HA3  GLY   6           1HA      GLY   6  15.200   5.906   6.128
   43    H    TRP   7           H        TRP   7  13.269   4.299   7.920
   44    HA   TRP   7           HA       TRP   7  12.384   2.419   5.972
   45    HD1  TRP   7           HD1      TRP   7  14.467   2.282   6.953
   46    HE1  TRP   7           HE1      TRP   7  15.938   0.350   7.808
   47    HE3  TRP   7           HE3      TRP   7  11.158  -0.028  10.085
   48    HZ2  TRP   7           HZ2      TRP   7  15.742  -1.883   9.583
   49    HZ3  TRP   7           HZ3      TRP   7  11.828  -2.054  11.345
   50    HH2  TRP   7           HH2      TRP   7  14.113  -2.984  11.098
   51    HB2  TRP   7           2HB      TRP   7  11.761   3.010   8.862
   52    HB3  TRP   7           1HB      TRP   7  10.900   1.724   8.021
   53    H    GLU   8           H        GLU   8  10.531   4.952   7.713
   54    HA   GLU   8           HA       GLU   8   7.986   4.394   6.546
   55    HB2  GLU   8           2HB      GLU   8   8.783   5.965   8.506
   56    HB3  GLU   8           1HB      GLU   8   8.909   7.177   7.229
   57    HG2  GLU   8           2HG      GLU   8   6.532   6.595   6.574
   58    HG3  GLU   8           1HG      GLU   8   6.442   5.617   8.039
   59    H    ALA   9           H        ALA   9  10.663   6.479   5.451
   60    HA   ALA   9           HA       ALA   9   9.332   7.640   3.194
   61    HB1  ALA   9           3HB      ALA   9  11.470   8.402   4.257
   62    HB2  ALA   9           1HB      ALA   9  11.623   8.196   2.511
   63    HB3  ALA   9           2HB      ALA   9  12.267   6.971   3.604
   64    H    VAL  10           H        VAL  10  11.267   4.669   3.573
   65    HA   VAL  10           HA       VAL  10  11.267   3.880   0.812
   66    HB   VAL  10           HB       VAL  10  11.458   2.354   3.432
   67   HG11  VAL  10          1HG1      VAL  10  11.900   1.453   0.577
   68   HG12  VAL  10          2HG1      VAL  10  10.839   0.730   1.786
   69   HG13  VAL  10          3HG1      VAL  10  12.589   0.602   1.960
   70   HG21  VAL  10          3HG2      VAL  10  13.748   2.799   1.561
   71   HG22  VAL  10          1HG2      VAL  10  13.741   2.702   3.322
   72   HG23  VAL  10          2HG2      VAL  10  13.196   4.173   2.518
   73    H    ALA  11           H        ALA  11   9.044   3.247   3.515
   74    HA   ALA  11           HA       ALA  11   7.304   1.413   2.177
   75    HB1  ALA  11           3HB      ALA  11   5.815   1.934   4.035
   76    HB2  ALA  11           1HB      ALA  11   6.662   3.452   4.331
   77    HB3  ALA  11           2HB      ALA  11   7.471   1.916   4.644
   78    H    ALA  12           H        ALA  12   7.315   4.975   2.407
   79    HA   ALA  12           HA       ALA  12   4.826   5.451   1.073
   80    HB1  ALA  12           3HB      ALA  12   5.599   7.702   1.015
   81    HB2  ALA  12           1HB      ALA  12   7.287   7.202   0.925
   82    HB3  ALA  12           2HB      ALA  12   6.389   7.011   2.431
   83    H    ALA  13           H        ALA  13   8.170   5.126  -0.141
   84    HA   ALA  13           HA       ALA  13   7.619   5.691  -2.896
   85    HB1  ALA  13           3HB      ALA  13   9.694   3.811  -1.729
   86    HB2  ALA  13           1HB      ALA  13   9.851   5.567  -1.696
   87    HB3  ALA  13           2HB      ALA  13   9.810   4.714  -3.239
   88    H    VAL  14           H        VAL  14   7.591   2.647  -1.028
   89    HA   VAL  14           HA       VAL  14   7.059   0.872  -3.216
   90    HB   VAL  14           HB       VAL  14   6.355   0.765  -0.260
   91   HG11  VAL  14          1HG1      VAL  14   6.141  -1.263  -2.473
   92   HG12  VAL  14          2HG1      VAL  14   4.996  -0.906  -1.181
   93   HG13  VAL  14          3HG1      VAL  14   6.478  -1.792  -0.825
   94   HG21  VAL  14          3HG2      VAL  14   8.495  -0.956  -1.298
   95   HG22  VAL  14          1HG2      VAL  14   8.497   0.114   0.104
   96   HG23  VAL  14          2HG2      VAL  14   8.839   0.762  -1.499
   97    H    ALA  15           H        ALA  15   4.907   2.709  -1.039
   98    HA   ALA  15           HA       ALA  15   2.418   1.675  -2.011
   99    HB1  ALA  15           3HB      ALA  15   3.278   4.280  -0.722
  100    HB2  ALA  15           1HB      ALA  15   2.553   2.882   0.071
  101    HB3  ALA  15           2HB      ALA  15   1.587   3.877  -1.019
  102    H    SER  16           H        SER  16   4.466   4.400  -3.041
  103    HA   SER  16           HA       SER  16   2.709   5.533  -4.992
  104    HG   SER  16           HG       SER  16   5.145   7.760  -5.559
  105    HB2  SER  16           2HB      SER  16   4.978   6.315  -3.926
  106    HB3  SER  16           1HB      SER  16   5.710   5.426  -5.259
  107    H    LYS  17           H        LYS  17   5.200   2.973  -5.224
  108    HA   LYS  17           HA       LYS  17   4.985   2.554  -8.057
  109    HB2  LYS  17           2HB      LYS  17   6.846   1.799  -6.580
  110    HB3  LYS  17           1HB      LYS  17   5.755   0.628  -5.837
  111    HG2  LYS  17           2HG      LYS  17   5.852  -0.784  -7.621
  112    HG3  LYS  17           1HG      LYS  17   5.821   0.537  -8.789
  113    HD2  LYS  17           2HD      LYS  17   8.271   0.950  -7.747
  114    HD3  LYS  17           1HD      LYS  17   8.147  -0.790  -7.489
  115    HE2  LYS  17           2HE      LYS  17   7.480   0.443 -10.173
  116    HE3  LYS  17           1HE      LYS  17   9.136  -0.034  -9.753
  117    HZ1  LYS  17           3HZ      LYS  17   6.731  -1.784  -9.631
  118    HZ2  LYS  17           1HZ      LYS  17   8.298  -2.238  -9.157
  119    HZ3  LYS  17           2HZ      LYS  17   7.975  -1.878 -10.786
  120    H    ILE  18           H        ILE  18   3.145   1.294  -5.293
  121    HA   ILE  18           HA       ILE  18   1.763  -0.819  -6.656
  122    HB   ILE  18           HB       ILE  18   1.234   0.903  -4.226
  123   HG12  ILE  18          2HG1      ILE  18   3.037  -0.915  -4.293
  124   HG13  ILE  18          1HG1      ILE  18   1.852  -1.051  -2.996
  125   HG21  ILE  18          1HG2      ILE  18  -0.976   0.347  -5.011
  126   HG22  ILE  18          2HG2      ILE  18  -0.603  -0.754  -3.684
  127   HG23  ILE  18          3HG2      ILE  18  -0.496  -1.316  -5.352
  128   HD11  ILE  18          3HD1      ILE  18   0.712  -2.826  -4.051
  129   HD12  ILE  18          1HD1      ILE  18   2.410  -3.191  -4.356
  130   HD13  ILE  18          2HD1      ILE  18   1.423  -2.467  -5.624
  131    H    VAL  19           H        VAL  19   0.894   2.600  -6.050
  132    HA   VAL  19           HA       VAL  19  -1.658   2.574  -7.328
  133    HB   VAL  19           HB       VAL  19   0.446   4.689  -6.793
  134   HG11  VAL  19          1HG1      VAL  19  -2.316   5.012  -7.999
  135   HG12  VAL  19          2HG1      VAL  19  -0.778   5.535  -8.688
  136   HG13  VAL  19          3HG1      VAL  19  -1.421   6.339  -7.256
  137   HG21  VAL  19          3HG2      VAL  19  -1.404   5.415  -5.168
  138   HG22  VAL  19          1HG2      VAL  19  -0.584   3.902  -4.785
  139   HG23  VAL  19          2HG2      VAL  19  -2.183   3.875  -5.529
  140    H    GLY  20           H        GLY  20   1.611   3.227  -8.625
  141    HA2  GLY  20           2HA      GLY  20   0.635   3.830 -11.301
  142    HA3  GLY  20           1HA      GLY  20   2.317   3.584 -10.845
  143    H    LEU  21           H        LEU  21   1.363   0.847  -9.629
  144    HA   LEU  21           HA       LEU  21   1.309  -0.592 -12.258
  145    HG   LEU  21           HG       LEU  21   2.229  -2.989 -11.951
  146    HB2  LEU  21           2HB      LEU  21   3.375  -0.521 -10.620
  147    HB3  LEU  21           1HB      LEU  21   2.454  -1.738  -9.734
  148   HD11  LEU  21          1HD1      LEU  21   4.675  -1.818 -13.017
  149   HD12  LEU  21          2HD1      LEU  21   3.372  -0.631 -12.942
  150   HD13  LEU  21          3HD1      LEU  21   3.143  -2.137 -13.831
  151   HD21  LEU  21          3HD2      LEU  21   5.009  -3.277 -11.745
  152   HD22  LEU  21          1HD2      LEU  21   3.795  -4.194 -10.855
  153   HD23  LEU  21          2HD2      LEU  21   4.500  -2.745 -10.142
  154    H    TRP  22           H        TRP  22  -0.951   0.153 -10.209
  155    HA   TRP  22           HA       TRP  22  -1.867  -2.531  -9.364
  156    HD1  TRP  22           HD1      TRP  22  -3.757  -3.317  -8.016
  157    HE1  TRP  22           HE1      TRP  22  -6.278  -3.382  -7.476
  158    HE3  TRP  22           HE3      TRP  22  -4.921   1.620  -8.614
  159    HZ2  TRP  22           HZ2      TRP  22  -8.493  -1.583  -7.320
  160    HZ3  TRP  22           HZ3      TRP  22  -7.242   2.416  -8.263
  161    HH2  TRP  22           HH2      TRP  22  -9.027   0.822  -7.617
  162    HB2  TRP  22           2HB      TRP  22  -2.134  -0.724  -7.799
  163    HB3  TRP  22           1HB      TRP  22  -2.847   0.319  -9.025
  164    H    ARG  23           H        ARG  23  -3.510  -3.647 -10.412
  165    HA   ARG  23           HA       ARG  23  -4.524  -2.533 -12.983
  166    HE   ARG  23           HE       ARG  23  -3.663  -4.517 -16.491
  167    HB2  ARG  23           2HB      ARG  23  -3.466  -4.960 -12.182
  168    HB3  ARG  23           1HB      ARG  23  -5.195  -5.295 -12.175
  169    HG2  ARG  23           2HG      ARG  23  -5.175  -5.445 -14.422
  170    HG3  ARG  23           1HG      ARG  23  -4.598  -3.782 -14.529
  171    HD2  ARG  23           2HD      ARG  23  -2.254  -4.635 -14.147
  172    HD3  ARG  23           1HD      ARG  23  -2.897  -6.284 -14.266
  173   HH11  ARG  23          2HH1      ARG  23  -0.583  -5.167 -15.934
  174   HH12  ARG  23          1HH1      ARG  23  -0.346  -6.377 -17.149
  175   HH21  ARG  23          1HH2      ARG  23  -3.743  -6.790 -17.770
  176   HH22  ARG  23          2HH2      ARG  23  -2.142  -7.295 -18.198
  177    H    ASN  24           H        ASN  24  -6.949  -3.812 -13.249
  178    HA   ASN  24           HA       ASN  24  -8.862  -2.254 -11.972
  179    HB2  ASN  24           2HB      ASN  24  -8.739  -4.910 -13.274
  180    HB3  ASN  24           1HB      ASN  24 -10.137  -4.677 -12.225
  181   HD21  ASN  24          1HD2      ASN  24 -10.002  -4.766 -15.256
  182   HD22  ASN  24          2HD2      ASN  24 -10.703  -3.307 -15.767
  183    H    GLU  25           H        GLU  25  -7.545  -5.364 -10.792
  184    HA   GLU  25           HA       GLU  25  -8.073  -4.580  -8.004
  185    HB2  GLU  25           2HB      GLU  25  -9.537  -6.573  -7.614
  186    HB3  GLU  25           1HB      GLU  25 -10.253  -5.424  -8.742
  187    HG2  GLU  25           2HG      GLU  25 -10.470  -7.127 -10.207
  188    HG3  GLU  25           1HG      GLU  25  -8.714  -7.145 -10.349
  189    H    LYS  26           H        LYS  26  -5.701  -5.364  -9.632
  190    HA   LYS  26           HA       LYS  26  -4.767  -7.629  -7.918
  191    HB2  LYS  26           2HB      LYS  26  -5.607  -8.399 -10.161
  192    HB3  LYS  26           1HB      LYS  26  -4.368  -7.397 -10.917
  193    HG2  LYS  26           2HG      LYS  26  -3.237  -9.085  -8.826
  194    HG3  LYS  26           1HG      LYS  26  -4.058 -10.044 -10.057
  195    HD2  LYS  26           2HD      LYS  26  -2.784  -8.473 -11.736
  196    HD3  LYS  26           1HD      LYS  26  -1.718  -8.182 -10.362
  197    HE2  LYS  26           2HE      LYS  26  -0.901 -10.350 -10.363
  198    HE3  LYS  26           1HE      LYS  26  -2.414 -11.028 -10.995
  199    HZ1  LYS  26           3HZ      LYS  26  -0.720 -11.001 -12.718
  200    HZ2  LYS  26           1HZ      LYS  26  -0.493  -9.332 -12.512
  201    HZ3  LYS  26           2HZ      LYS  26  -1.971  -9.922 -13.113
  202    H    THR  27           H        THR  27  -2.484  -7.649  -7.588
  203    HA   THR  27           HA       THR  27  -0.795  -5.560  -8.812
  204    HB   THR  27           HB       THR  27  -1.851  -4.296  -7.055
  205    HG1  THR  27           HG1      THR  27   0.326  -4.887  -5.529
  206   HG21  THR  27          3HG2      THR  27  -1.396  -6.790  -5.429
  207   HG22  THR  27          1HG2      THR  27  -2.882  -5.870  -5.653
  208   HG23  THR  27          2HG2      THR  27  -1.595  -5.231  -4.631
  209    H    GLU  28           H        GLU  28   1.520  -5.827  -7.969
  210    HA   GLU  28           HA       GLU  28   2.036  -8.588  -6.925
  211    HB2  GLU  28           2HB      GLU  28   3.068  -7.222  -9.420
  212    HB3  GLU  28           1HB      GLU  28   3.921  -8.586  -8.697
  213    HG2  GLU  28           2HG      GLU  28   2.522  -9.969  -9.796
  214    HG3  GLU  28           1HG      GLU  28   1.209  -9.360  -8.793
  215    H    LEU  29           H        LEU  29   3.271  -8.339  -5.097
  216    HA   LEU  29           HA       LEU  29   5.074  -5.957  -4.909
  217    HG   LEU  29           HG       LEU  29   2.953  -5.296  -4.122
  218    HB2  LEU  29           2HB      LEU  29   3.518  -7.662  -2.986
  219    HB3  LEU  29           1HB      LEU  29   4.909  -6.751  -2.402
  220   HD11  LEU  29          1HD1      LEU  29   1.892  -4.822  -1.666
  221   HD12  LEU  29          2HD1      LEU  29   2.315  -6.525  -1.499
  222   HD13  LEU  29          3HD1      LEU  29   1.235  -6.007  -2.793
  223   HD21  LEU  29          3HD2      LEU  29   3.647  -3.434  -2.792
  224   HD22  LEU  29          1HD2      LEU  29   5.110  -4.368  -3.100
  225   HD23  LEU  29          2HD2      LEU  29   4.302  -4.484  -1.536
  226    H    LEU  30           H        LEU  30   7.222  -6.411  -5.201
  227    HA   LEU  30           HA       LEU  30   9.277  -7.564  -5.220
  228    HG   LEU  30           HG       LEU  30  10.684  -9.078  -3.840
  229    HB2  LEU  30           2HB      LEU  30   8.251  -7.658  -2.741
  230    HB3  LEU  30           1HB      LEU  30   8.248  -9.386  -3.087
  231   HD11  LEU  30          1HD1      LEU  30  11.691  -7.061  -3.637
  232   HD12  LEU  30          2HD1      LEU  30  10.999  -6.789  -2.038
  233   HD13  LEU  30          3HD1      LEU  30  10.067  -6.394  -3.482
  234   HD21  LEU  30          3HD2      LEU  30  11.439  -8.934  -1.366
  235   HD22  LEU  30          1HD2      LEU  30  10.327 -10.232  -1.804
  236   HD23  LEU  30          2HD2      LEU  30   9.721  -8.787  -0.993
  237    H    GLY  31           H        GLY  31   7.016  -8.616  -6.899
  238    HA2  GLY  31           2HA      GLY  31   7.037 -10.397  -8.485
  239    HA3  GLY  31           1HA      GLY  31   8.209 -11.247  -7.481
  240    H    HIS  32           H        HIS  32   6.100 -10.471  -5.191
  241    HA   HIS  32           HA       HIS  32   4.746 -13.077  -5.291
  242    HD1  HIS  32           HD1      HIS  32   6.351 -14.114  -3.950
  243    HD2  HIS  32           HD2      HIS  32   6.944 -10.510  -1.940
  244    HE1  HIS  32           HE1      HIS  32   8.686 -14.215  -2.974
  245    HB2  HIS  32           2HB      HIS  32   4.581 -10.778  -3.315
  246    HB3  HIS  32           1HB      HIS  32   4.057 -12.432  -3.030
  247    H    GLU  33           H        GLU  33   2.530 -13.367  -5.635
  248    HA   GLU  33           HA       GLU  33   1.079 -11.300  -7.063
  249    HB2  GLU  33           2HB      GLU  33   0.914 -14.113  -6.494
  250    HB3  GLU  33           1HB      GLU  33  -0.646 -13.375  -6.135
  251    HG2  GLU  33           2HG      GLU  33  -0.321 -12.165  -8.430
  252    HG3  GLU  33           1HG      GLU  33   0.851 -13.445  -8.742
  253    H    CYS  34           H        CYS  34  -0.403  -9.847  -6.273
  254    HA   CYS  34           HA       CYS  34  -1.374 -10.153  -3.468
  255    HB2  CYS  34           2HB      CYS  34   0.109  -7.861  -4.753
  256    HB3  CYS  34           1HB      CYS  34  -0.913  -7.606  -3.343
  257    H    LYS  35           H        LYS  35  -3.203  -8.562  -3.068
  258    HA   LYS  35           HA       LYS  35  -4.726  -7.967  -5.577
  259    HB2  LYS  35           2HB      LYS  35  -5.325 -10.050  -4.101
  260    HB3  LYS  35           1HB      LYS  35  -6.027  -8.852  -3.014
  261    HG2  LYS  35           2HG      LYS  35  -7.853  -9.308  -4.377
  262    HG3  LYS  35           1HG      LYS  35  -7.134  -7.950  -5.244
  263    HD2  LYS  35           2HD      LYS  35  -6.650  -9.240  -7.033
  264    HD3  LYS  35           1HD      LYS  35  -5.924 -10.487  -6.022
  265    HE2  LYS  35           2HE      LYS  35  -8.910 -10.238  -5.985
  266    HE3  LYS  35           1HE      LYS  35  -8.149 -10.991  -7.401
  267    HZ1  LYS  35           3HZ      LYS  35  -7.020 -12.536  -6.045
  268    HZ2  LYS  35           1HZ      LYS  35  -8.622 -12.535  -5.488
  269    HZ3  LYS  35           2HZ      LYS  35  -7.421 -11.709  -4.614
  270    H    PHE  36           H        PHE  36  -5.131  -5.815  -5.662
  271    HA   PHE  36           HA       PHE  36  -5.436  -4.296  -3.092
  272    HD1  PHE  36           HD1      PHE  36  -5.905  -1.316  -5.272
  273    HD2  PHE  36           HD2      PHE  36  -2.670  -2.565  -2.736
  274    HE1  PHE  36           HE1      PHE  36  -5.864   0.927  -4.218
  275    HE2  PHE  36           HE2      PHE  36  -2.634  -0.323  -1.682
  276    HZ   PHE  36           HZ       PHE  36  -4.231   1.420  -2.423
  277    HB2  PHE  36           2HB      PHE  36  -3.366  -3.946  -4.531
  278    HB3  PHE  36           1HB      PHE  36  -4.432  -3.333  -5.788
  279    H    THR  37           H        THR  37  -7.353  -3.074  -2.932
  280    HA   THR  37           HA       THR  37  -8.966  -2.682  -5.419
  281    HB   THR  37           HB       THR  37 -10.963  -3.431  -4.010
  282    HG1  THR  37           HG1      THR  37  -9.994  -3.323  -1.982
  283   HG21  THR  37          3HG2      THR  37 -10.711  -5.625  -4.724
  284   HG22  THR  37          1HG2      THR  37  -9.011  -5.691  -4.253
  285   HG23  THR  37          2HG2      THR  37  -9.492  -4.816  -5.708
  286    H    VAL  38           H        VAL  38 -10.416  -0.911  -5.336
  287    HA   VAL  38           HA       VAL  38 -10.264   0.866  -2.929
  288    HB   VAL  38           HB       VAL  38  -9.992   1.618  -5.863
  289   HG11  VAL  38          1HG1      VAL  38 -10.123   3.274  -3.330
  290   HG12  VAL  38          2HG1      VAL  38 -11.162   3.391  -4.750
  291   HG13  VAL  38          3HG1      VAL  38  -9.476   3.901  -4.847
  292   HG21  VAL  38          3HG2      VAL  38  -7.723   2.443  -5.020
  293   HG22  VAL  38          1HG2      VAL  38  -7.916   0.691  -5.093
  294   HG23  VAL  38          2HG2      VAL  38  -8.041   1.529  -3.545
  295    H    LYS  39           H        LYS  39 -12.320   1.475  -2.277
  296    HA   LYS  39           HA       LYS  39 -14.497   1.553  -4.318
  297    HB2  LYS  39           2HB      LYS  39 -14.044  -0.404  -2.214
  298    HB3  LYS  39           1HB      LYS  39 -15.606   0.389  -2.018
  299    HG2  LYS  39           2HG      LYS  39 -16.028  -0.068  -4.479
  300    HG3  LYS  39           1HG      LYS  39 -14.581  -1.077  -4.461
  301    HD2  LYS  39           2HD      LYS  39 -16.360  -1.695  -2.232
  302    HD3  LYS  39           1HD      LYS  39 -17.167  -1.893  -3.787
  303    HE2  LYS  39           2HE      LYS  39 -14.392  -3.007  -3.449
  304    HE3  LYS  39           1HE      LYS  39 -15.771  -3.904  -2.787
  305    HZ1  LYS  39           3HZ      LYS  39 -15.415  -2.976  -5.589
  306    HZ2  LYS  39           1HZ      LYS  39 -16.873  -3.599  -4.985
  307    HZ3  LYS  39           2HZ      LYS  39 -15.490  -4.582  -5.043
  308    HA   PRO  40           HA       PRO  40 -15.121   5.213  -1.792
  309    HB2  PRO  40           2HB      PRO  40 -16.858   6.444  -3.506
  310    HB3  PRO  40           1HB      PRO  40 -15.100   6.453  -3.745
  311    HG2  PRO  40           2HG      PRO  40 -17.184   4.835  -5.097
  312    HG3  PRO  40           1HG      PRO  40 -15.672   5.490  -5.736
  313    HD2  PRO  40           2HD      PRO  40 -16.068   2.860  -4.985
  314    HD3  PRO  40           1HD      PRO  40 -14.485   3.652  -5.128
  315    H    TYR  41           H        TYR  41 -17.001   6.061  -0.609
  316    HA   TYR  41           HA       TYR  41 -19.448   4.340  -0.756
  317    HD1  TYR  41           HD1      TYR  41 -19.425   2.269  -0.020
  318    HD2  TYR  41           HD2      TYR  41 -16.070   3.868   2.133
  319    HE1  TYR  41           HE1      TYR  41 -18.272   0.082  -0.194
  320    HE2  TYR  41           HE2      TYR  41 -14.919   1.679   1.958
  321    HH   TYR  41           HH       TYR  41 -16.524  -1.156   0.583
  322    HB2  TYR  41           2HB      TYR  41 -17.890   5.257   1.677
  323    HB3  TYR  41           1HB      TYR  41 -19.436   4.426   1.743
  324    H    LEU  42           H        LEU  42 -20.976   5.552   1.102
  325    HA   LEU  42           HA       LEU  42 -20.986   8.467   0.457
  326    HG   LEU  42           HG       LEU  42 -23.214   9.475   0.103
  327    HB2  LEU  42           2HB      LEU  42 -22.470   6.744  -0.955
  328    HB3  LEU  42           1HB      LEU  42 -23.553   6.942   0.423
  329   HD11  LEU  42          1HD1      LEU  42 -21.314   9.487  -1.366
  330   HD12  LEU  42          2HD1      LEU  42 -22.689  10.043  -2.319
  331   HD13  LEU  42          3HD1      LEU  42 -22.105   8.388  -2.497
  332   HD21  LEU  42          3HD2      LEU  42 -24.606   7.940  -2.115
  333   HD22  LEU  42          1HD2      LEU  42 -24.989   9.572  -1.569
  334   HD23  LEU  42          2HD2      LEU  42 -25.280   8.196  -0.506
  335    H    LYS  43           H        LYS  43 -21.829   9.753   2.073
  336    HA   LYS  43           HA       LYS  43 -22.633   8.411   4.629
  337    HB2  LYS  43           2HB      LYS  43 -20.459   9.938   4.156
  338    HB3  LYS  43           1HB      LYS  43 -21.618  11.217   4.507
  339    HG2  LYS  43           2HG      LYS  43 -21.165  10.822   6.688
  340    HG3  LYS  43           1HG      LYS  43 -22.125   9.354   6.500
  341    HD2  LYS  43           2HD      LYS  43 -20.204   8.013   6.116
  342    HD3  LYS  43           1HD      LYS  43 -19.184   9.420   5.818
  343    HE2  LYS  43           2HE      LYS  43 -19.267  10.070   8.148
  344    HE3  LYS  43           1HE      LYS  43 -20.495   8.837   8.497
  345    HZ1  LYS  43           3HZ      LYS  43 -18.924   7.133   7.764
  346    HZ2  LYS  43           1HZ      LYS  43 -18.296   8.016   9.069
  347    HZ3  LYS  43           2HZ      LYS  43 -17.741   8.323   7.493
  348    H    ARG  44           H        ARG  44 -23.960  10.138   5.994
  349    HA   ARG  44           HA       ARG  44 -26.509  10.513   5.054
  350    HE   ARG  44           HE       ARG  44 -25.412  11.506  10.066
  351    HB2  ARG  44           2HB      ARG  44 -24.741  11.939   6.984
  352    HB3  ARG  44           1HB      ARG  44 -26.275  12.713   6.587
  353    HG2  ARG  44           2HG      ARG  44 -27.178  11.357   8.159
  354    HG3  ARG  44           1HG      ARG  44 -27.017  10.077   6.959
  355    HD2  ARG  44           2HD      ARG  44 -25.635   9.016   8.413
  356    HD3  ARG  44           1HD      ARG  44 -24.460  10.318   8.145
  357   HH11  ARG  44          1HH2      ARG  44 -28.180  10.305   9.933
  358   HH12  ARG  44          2HH2      ARG  44 -28.173   9.247  11.305
  359   HH21  ARG  44          2HH1      ARG  44 -24.714   9.287  11.647
  360   HH22  ARG  44          1HH1      ARG  44 -26.203   8.669  12.279
  361    H    PHE  45           H        PHE  45 -23.799  12.752   4.488
  362    HA   PHE  45           HA       PHE  45 -25.143  13.813   2.095
  363    HD1  PHE  45           HD1      PHE  45 -27.559  15.110   2.478
  364    HD2  PHE  45           HD2      PHE  45 -24.025  17.551   2.577
  365    HE1  PHE  45           HE1      PHE  45 -28.569  16.641   0.808
  366    HE2  PHE  45           HE2      PHE  45 -25.036  19.081   0.907
  367    HZ   PHE  45           HZ       PHE  45 -27.306  18.625   0.023
  368    HB2  PHE  45           2HB      PHE  45 -25.868  14.988   4.361
  369    HB3  PHE  45           1HB      PHE  45 -24.321  15.813   4.182
  370    H    GLN  46           H        GLN  46 -22.733  12.358   2.255
  371    HA   GLN  46           HA       GLN  46 -20.833  14.307   1.139
  372    HB2  GLN  46           2HB      GLN  46 -20.827  13.630   3.921
  373    HB3  GLN  46           1HB      GLN  46 -19.381  12.935   3.189
  374    HG2  GLN  46           2HG      GLN  46 -20.209  15.797   2.676
  375    HG3  GLN  46           1HG      GLN  46 -19.188  15.352   4.044
  376   HE21  GLN  46          1HE2      GLN  46 -17.260  13.772   3.273
  377   HE22  GLN  46          2HE2      GLN  46 -16.461  14.275   1.862
  378    H    VAL  47           H        VAL  47 -19.149  13.283  -0.044
  379    HA   VAL  47           HA       VAL  47 -19.527  10.363  -0.545
  380    HB   VAL  47           HB       VAL  47 -18.099  12.615  -2.006
  381   HG11  VAL  47          1HG1      VAL  47 -18.216   9.645  -2.521
  382   HG12  VAL  47          2HG1      VAL  47 -16.818  10.720  -2.570
  383   HG13  VAL  47          3HG1      VAL  47 -18.024  10.783  -3.855
  384   HG21  VAL  47          3HG2      VAL  47 -20.459  10.950  -2.913
  385   HG22  VAL  47          1HG2      VAL  47 -19.884  12.474  -3.586
  386   HG23  VAL  47          2HG2      VAL  47 -20.664  12.448  -2.005
  387    H    TYR  48           H        TYR  48 -17.903   8.902   0.015
  388    HA   TYR  48           HA       TYR  48 -15.357  10.048   1.119
  389    HD1  TYR  48           HD2      TYR  48 -14.404   9.458   3.872
  390    HD2  TYR  48           HD1      TYR  48 -18.592   9.890   3.002
  391    HE1  TYR  48           HE2      TYR  48 -14.599  11.177   5.648
  392    HE2  TYR  48           HE1      TYR  48 -18.783  11.607   4.778
  393    HH   TYR  48           HH       TYR  48 -16.379  13.257   6.006
  394    HB2  TYR  48           2HB      TYR  48 -17.318   8.016   2.113
  395    HB3  TYR  48           1HB      TYR  48 -15.617   7.791   2.519
  396    H    TYR  49           H        TYR  49 -13.484   8.587   0.948
  397    HA   TYR  49           HA       TYR  49 -13.735   6.591  -1.276
  398    HD1  TYR  49           HD2      TYR  49 -14.112   9.381  -2.555
  399    HD2  TYR  49           HD1      TYR  49 -10.889   6.660  -3.367
  400    HE1  TYR  49           HE2      TYR  49 -14.689   9.419  -4.965
  401    HE2  TYR  49           HE1      TYR  49 -11.463   6.699  -5.779
  402    HH   TYR  49           HH       TYR  49 -13.821   7.240  -7.099
  403    HB2  TYR  49           2HB      TYR  49 -12.148   9.000  -0.945
  404    HB3  TYR  49           1HB      TYR  49 -11.111   7.601  -1.213
  405    H    LYS  50           H        LYS  50 -12.960   4.571  -0.756
  406    HA   LYS  50           HA       LYS  50 -11.071   4.313   1.553
  407    HB2  LYS  50           2HB      LYS  50 -13.559   3.917   2.043
  408    HB3  LYS  50           1HB      LYS  50 -13.420   2.487   1.023
  409    HG2  LYS  50           2HG      LYS  50 -12.224   1.334   2.582
  410    HG3  LYS  50           1HG      LYS  50 -11.306   2.758   3.072
  411    HD2  LYS  50           2HD      LYS  50 -12.591   2.852   4.919
  412    HD3  LYS  50           1HD      LYS  50 -13.943   3.291   3.876
  413    HE2  LYS  50           2HE      LYS  50 -14.021   0.636   3.490
  414    HE3  LYS  50           1HE      LYS  50 -13.287   0.646   5.105
  415    HZ1  LYS  50           3HZ      LYS  50 -15.593   0.747   5.481
  416    HZ2  LYS  50           1HZ      LYS  50 -15.841   1.889   4.253
  417    HZ3  LYS  50           2HZ      LYS  50 -15.055   2.345   5.690
  418    H    GLY  51           H        GLY  51  -9.795   2.327   1.478
  419    HA2  GLY  51           2HA      GLY  51  -9.977   0.678  -0.953
  420    HA3  GLY  51           1HA      GLY  51  -8.500   1.621  -0.785
  421    H    ARG  52           H        ARG  52  -8.937  -1.320  -0.731
  422    HA   ARG  52           HA       ARG  52  -7.531  -1.885   1.844
  423    HE   ARG  52           HE       ARG  52 -11.778  -4.242   3.280
  424    HB2  ARG  52           2HB      ARG  52 -10.212  -2.627   1.012
  425    HB3  ARG  52           1HB      ARG  52  -9.232  -4.069   1.269
  426    HG2  ARG  52           2HG      ARG  52  -8.585  -2.374   3.406
  427    HG3  ARG  52           1HG      ARG  52 -10.333  -2.228   3.227
  428    HD2  ARG  52           2HD      ARG  52  -9.377  -5.004   2.985
  429    HD3  ARG  52           1HD      ARG  52  -9.073  -4.282   4.576
  430   HH11  ARG  52          1HH2      ARG  52 -10.925  -2.611   5.798
  431   HH12  ARG  52          2HH2      ARG  52 -11.625  -3.587   7.045
  432   HH21  ARG  52          2HH1      ARG  52 -12.133  -6.332   4.972
  433   HH22  ARG  52          1HH1      ARG  52 -12.314  -5.701   6.575
  434    H    MET  53           H        MET  53  -5.969  -3.578   1.629
  435    HA   MET  53           HA       MET  53  -5.874  -5.035  -0.969
  436    HB2  MET  53           2HB      MET  53  -3.631  -4.295  -1.414
  437    HB3  MET  53           1HB      MET  53  -4.581  -2.859  -1.053
  438    HG2  MET  53           2HG      MET  53  -3.396  -2.407   0.833
  439    HG3  MET  53           1HG      MET  53  -3.342  -4.097   1.318
  440    HE1  MET  53           3HE      MET  53  -2.135  -5.761   0.511
  441    HE2  MET  53           1HE      MET  53  -0.416  -5.659   0.113
  442    HE3  MET  53           2HE      MET  53  -1.621  -5.678  -1.171
  443    H    TRP  54           H        TRP  54  -4.661  -6.982  -0.886
  444    HA   TRP  54           HA       TRP  54  -3.346  -7.806   1.618
  445    HD1  TRP  54           HD1      TRP  54  -5.404 -11.307  -0.051
  446    HE1  TRP  54           HE1      TRP  54  -7.281 -11.350  -1.818
  447    HE3  TRP  54           HE3      TRP  54  -7.317  -6.609   0.569
  448    HZ2  TRP  54           HZ2      TRP  54  -9.317  -9.621  -2.838
  449    HZ3  TRP  54           HZ3      TRP  54  -9.219  -5.834  -0.816
  450    HH2  TRP  54           HH2      TRP  54 -10.220  -7.333  -2.517
  451    HB2  TRP  54           2HB      TRP  54  -4.900  -9.694   1.970
  452    HB3  TRP  54           1HB      TRP  54  -5.754  -8.157   2.048
  453    H    CYS  55           H        CYS  55  -2.019  -9.692   1.319
  454    HA   CYS  55           HA       CYS  55  -1.700 -10.486  -1.550
  455    HB2  CYS  55           2HB      CYS  55   0.229 -10.279   0.771
  456    HB3  CYS  55           1HB      CYS  55   0.667 -10.969  -0.790
  457    HA   PRO  56           HA       PRO  56  -2.955 -14.361   0.518
  458    HB2  PRO  56           2HB      PRO  56  -4.511 -15.278  -1.538
  459    HB3  PRO  56           1HB      PRO  56  -5.112 -14.161  -0.299
  460    HG2  PRO  56           2HG      PRO  56  -4.326 -13.630  -3.099
  461    HG3  PRO  56           1HG      PRO  56  -5.541 -12.830  -2.092
  462    HD2  PRO  56           2HD      PRO  56  -3.004 -11.845  -2.673
  463    HD3  PRO  56           1HD      PRO  56  -4.058 -11.279  -1.373
  464    H    GLY  57           H        GLY  57  -0.657 -14.931   0.191
  465    HA2  GLY  57           2HA      GLY  57  -0.085 -17.212  -1.222
  466    HA3  GLY  57           1HA      GLY  57   0.216 -15.942  -2.408
  467    H    TRP  58           H        TRP  58   1.334 -13.939  -0.868
  468    HA   TRP  58           HA       TRP  58   4.025 -14.963  -0.417
  469    HD1  TRP  58           HD1      TRP  58   5.988 -14.326  -0.135
  470    HE1  TRP  58           HE1      TRP  58   7.965 -12.919   0.729
  471    HE3  TRP  58           HE3      TRP  58   3.656  -9.826   0.514
  472    HZ2  TRP  58           HZ2      TRP  58   8.493 -10.240   1.582
  473    HZ3  TRP  58           HZ3      TRP  58   4.920  -7.867   1.351
  474    HH2  TRP  58           HH2      TRP  58   7.333  -8.068   1.885
  475    HB2  TRP  58           2HB      TRP  58   3.439 -12.746  -1.412
  476    HB3  TRP  58           1HB      TRP  58   2.791 -12.246   0.142
  477    H    THR  59           H        THR  59   1.662 -13.294   1.703
  478    HA   THR  59           HA       THR  59   2.504 -14.961   3.988
  479    HB   THR  59           HB       THR  59   4.160 -13.136   3.869
  480    HG1  THR  59           HG1      THR  59   3.951 -13.362   5.937
  481   HG21  THR  59          3HG2      THR  59   1.868 -11.607   3.102
  482   HG22  THR  59          1HG2      THR  59   3.557 -11.103   3.136
  483   HG23  THR  59          2HG2      THR  59   2.544 -10.889   4.563
  484    H    ALA  60           H        ALA  60   1.316 -13.371   5.987
  485    HA   ALA  60           HA       ALA  60  -1.552 -13.299   5.111
  486    HB1  ALA  60           3HB      ALA  60  -1.004 -15.161   6.604
  487    HB2  ALA  60           1HB      ALA  60  -1.999 -13.993   7.474
  488    HB3  ALA  60           2HB      ALA  60  -0.259 -14.050   7.755
  489    H    ILE  61           H        ILE  61  -0.065 -10.962   4.792
  490    HA   ILE  61           HA       ILE  61  -0.911  -9.268   7.122
  491    HB   ILE  61           HB       ILE  61   1.349  -8.947   5.112
  492   HG12  ILE  61          2HG1      ILE  61   1.303  -9.618   8.076
  493   HG13  ILE  61          1HG1      ILE  61   1.830 -10.674   6.767
  494   HG21  ILE  61          1HG2      ILE  61   0.778  -7.252   7.559
  495   HG22  ILE  61          2HG2      ILE  61   0.244  -6.802   5.939
  496   HG23  ILE  61          3HG2      ILE  61   1.966  -6.949   6.291
  497   HD11  ILE  61          3HD1      ILE  61   3.859  -9.822   7.593
  498   HD12  ILE  61          1HD1      ILE  61   3.182  -8.216   7.863
  499   HD13  ILE  61          2HD1      ILE  61   3.523  -8.765   6.222
  500    H    ARG  62           H        ARG  62  -2.047  -7.333   6.616
  501    HA   ARG  62           HA       ARG  62  -2.662  -6.843   3.742
  502    HE   ARG  62           HE       ARG  62  -6.228  -9.758   6.122
  503    HB2  ARG  62           2HB      ARG  62  -5.068  -6.376   4.714
  504    HB3  ARG  62           1HB      ARG  62  -4.575  -8.023   4.347
  505    HG2  ARG  62           2HG      ARG  62  -4.139  -8.509   6.647
  506    HG3  ARG  62           1HG      ARG  62  -4.205  -6.804   7.093
  507    HD2  ARG  62           2HD      ARG  62  -6.388  -7.155   7.620
  508    HD3  ARG  62           1HD      ARG  62  -6.689  -7.305   5.877
  509   HH11  ARG  62          1HH2      ARG  62  -4.958  -9.763   8.809
  510   HH12  ARG  62          2HH2      ARG  62  -6.253 -10.270   9.841
  511   HH21  ARG  62          2HH1      ARG  62  -8.731  -9.599   7.496
  512   HH22  ARG  62          1HH1      ARG  62  -8.399 -10.177   9.095
  513    H    GLY  63           H        GLY  63  -3.571  -4.680   3.354
  514    HA2  GLY  63           2HA      GLY  63  -2.985  -2.709   5.516
  515    HA3  GLY  63           1HA      GLY  63  -2.300  -2.467   3.912
  516    H    GLU  64           H        GLU  64  -4.565  -1.206   5.715
  517    HA   GLU  64           HA       GLU  64  -6.532  -0.885   3.475
  518    HB2  GLU  64           2HB      GLU  64  -7.056  -0.832   6.461
  519    HB3  GLU  64           1HB      GLU  64  -8.262  -0.789   5.186
  520    HG2  GLU  64           2HG      GLU  64  -8.327  -3.043   5.737
  521    HG3  GLU  64           1HG      GLU  64  -7.128  -3.062   4.448
  522    H    ALA  65           H        ALA  65  -7.604   1.258   3.485
  523    HA   ALA  65           HA       ALA  65  -6.694   3.400   5.227
  524    HB1  ALA  65           3HB      ALA  65  -5.243   2.732   2.738
  525    HB2  ALA  65           1HB      ALA  65  -4.676   3.584   4.174
  526    HB3  ALA  65           2HB      ALA  65  -5.611   4.441   2.949
  527    H    SER  66           H        SER  66  -7.792   5.395   4.783
  528    HA   SER  66           HA       SER  66  -9.632   5.471   2.440
  529    HG   SER  66           HG       SER  66 -10.157   4.190   5.702
  530    HB2  SER  66           2HB      SER  66 -10.685   6.175   5.158
  531    HB3  SER  66           1HB      SER  66 -11.560   5.600   3.747
  532    H    THR  67           H        THR  67 -10.048   7.592   1.741
  533    HA   THR  67           HA       THR  67  -9.628   9.953   3.357
  534    HB   THR  67           HB       THR  67  -7.281   9.050   3.036
  535    HG1  THR  67           HG1      THR  67  -7.476  11.209   3.426
  536   HG21  THR  67          3HG2      THR  67  -7.339  10.054   0.227
  537   HG22  THR  67          1HG2      THR  67  -7.988   8.443   0.532
  538   HG23  THR  67          2HG2      THR  67  -6.319   8.815   0.958
  539    H    ARG  68           H        ARG  68 -10.082  11.912   2.139
  540    HA   ARG  68           HA       ARG  68 -12.040  11.700   0.100
  541    HE   ARG  68           HE       ARG  68 -12.849  16.336   0.785
  542    HB2  ARG  68           2HB      ARG  68 -10.462  13.755   1.466
  543    HB3  ARG  68           1HB      ARG  68 -10.882  14.214  -0.183
  544    HG2  ARG  68           2HG      ARG  68 -13.042  12.985   1.464
  545    HG3  ARG  68           1HG      ARG  68 -12.551  14.626   1.885
  546    HD2  ARG  68           2HD      ARG  68 -12.979  14.054  -1.019
  547    HD3  ARG  68           1HD      ARG  68 -14.420  14.171   0.010
  548   HH11  ARG  68          1HH2      ARG  68 -15.458  16.908  -0.387
  549   HH12  ARG  68          2HH2      ARG  68 -15.073  17.694  -1.882
  550   HH21  ARG  68          2HH1      ARG  68 -11.777  16.589  -1.917
  551   HH22  ARG  68          1HH1      ARG  68 -12.983  17.513  -2.751
  552    H    SER  69           H        SER  69  -8.508  12.122  -0.201
  553    HA   SER  69           HA       SER  69  -8.417  12.732  -2.989
  554    HG   SER  69           HG       SER  69  -5.665  12.921  -0.508
  555    HB2  SER  69           2HB      SER  69  -6.264  11.047  -1.844
  556    HB3  SER  69           1HB      SER  69  -6.153  12.603  -2.656
  557    H    GLN  70           H        GLN  70  -8.585  11.439  -4.788
  558    HA   GLN  70           HA       GLN  70  -9.653   8.761  -4.580
  559    HB2  GLN  70           2HB      GLN  70  -8.749  10.644  -6.737
  560    HB3  GLN  70           1HB      GLN  70  -9.041   8.957  -7.161
  561    HG2  GLN  70           2HG      GLN  70 -11.227   9.496  -7.332
  562    HG3  GLN  70           1HG      GLN  70 -11.232   9.636  -5.575
  563   HE21  GLN  70          1HE2      GLN  70 -12.383  11.310  -8.068
  564   HE22  GLN  70          2HE2      GLN  70 -12.088  12.904  -7.568
  565    H    SER  71           H        SER  71  -6.581   9.879  -6.089
  566    HA   SER  71           HA       SER  71  -5.427   7.212  -6.079
  567    HG   SER  71           HG       SER  71  -3.465   7.575  -7.790
  568    HB2  SER  71           2HB      SER  71  -4.929   9.139  -7.660
  569    HB3  SER  71           1HB      SER  71  -4.052   9.904  -6.337
  570    H    GLY  72           H        GLY  72  -5.397   9.964  -3.871
  571    HA2  GLY  72           2HA      GLY  72  -3.132   9.308  -2.290
  572    HA3  GLY  72           1HA      GLY  72  -4.542  10.188  -1.699
  573    H    VAL  73           H        VAL  73  -6.499   8.123  -2.115
  574    HA   VAL  73           HA       VAL  73  -6.174   6.602   0.299
  575    HB   VAL  73           HB       VAL  73  -8.268   7.330  -1.188
  576   HG11  VAL  73          1HG1      VAL  73  -7.913   4.443  -2.025
  577   HG12  VAL  73          2HG1      VAL  73  -7.532   5.806  -3.075
  578   HG13  VAL  73          3HG1      VAL  73  -9.187   5.558  -2.522
  579   HG21  VAL  73          3HG2      VAL  73  -9.614   5.733   0.060
  580   HG22  VAL  73          1HG2      VAL  73  -8.284   6.279   1.081
  581   HG23  VAL  73          2HG2      VAL  73  -8.209   4.696   0.309
  582    H    ALA  74           H        ALA  74  -5.557   5.842  -3.120
  583    HA   ALA  74           HA       ALA  74  -5.081   3.025  -2.775
  584    HB1  ALA  74           3HB      ALA  74  -3.969   4.981  -4.816
  585    HB2  ALA  74           1HB      ALA  74  -5.555   4.216  -4.921
  586    HB3  ALA  74           2HB      ALA  74  -4.093   3.233  -5.014
  587    H    GLY  75           H        GLY  75  -2.944   5.877  -2.660
  588    HA2  GLY  75           2HA      GLY  75  -0.510   4.371  -2.327
  589    HA3  GLY  75           1HA      GLY  75  -0.708   6.084  -1.961
  590    H    LYS  76           H        LYS  76  -2.934   5.676  -0.115
  591    HA   LYS  76           HA       LYS  76  -1.458   5.208   2.318
  592    HB2  LYS  76           2HB      LYS  76  -4.328   5.685   1.530
  593    HB3  LYS  76           1HB      LYS  76  -3.913   5.326   3.206
  594    HG2  LYS  76           2HG      LYS  76  -2.158   7.342   2.000
  595    HG3  LYS  76           1HG      LYS  76  -3.850   7.839   2.048
  596    HD2  LYS  76           2HD      LYS  76  -2.994   6.537   4.528
  597    HD3  LYS  76           1HD      LYS  76  -2.059   7.988   4.168
  598    HE2  LYS  76           2HE      LYS  76  -5.021   8.169   3.803
  599    HE3  LYS  76           1HE      LYS  76  -4.404   8.135   5.466
  600    HZ1  LYS  76           3HZ      LYS  76  -3.398   9.924   3.310
  601    HZ2  LYS  76           1HZ      LYS  76  -2.866   9.902   4.919
  602    HZ3  LYS  76           2HZ      LYS  76  -4.447  10.403   4.557
  603    H    THR  77           H        THR  77  -3.894   3.286   0.509
  604    HA   THR  77           HA       THR  77  -4.095   1.130   2.385
  605    HB   THR  77           HB       THR  77  -4.405   1.252  -0.636
  606    HG1  THR  77           HG1      THR  77  -6.371   1.327   1.403
  607   HG21  THR  77          3HG2      THR  77  -5.858  -0.752  -0.336
  608   HG22  THR  77          1HG2      THR  77  -5.350  -0.829   1.352
  609   HG23  THR  77          2HG2      THR  77  -4.170  -1.066   0.064
  610    H    ALA  78           H        ALA  78  -1.897   1.704  -0.356
  611    HA   ALA  78           HA       ALA  78  -0.516  -0.838  -0.118
  612    HB1  ALA  78           3HB      ALA  78  -0.673   0.553  -2.180
  613    HB2  ALA  78           1HB      ALA  78   1.004   0.227  -1.742
  614    HB3  ALA  78           2HB      ALA  78   0.291   1.800  -1.388
  615    H    LYS  79           H        LYS  79   0.011   2.455   1.110
  616    HA   LYS  79           HA       LYS  79   2.626   1.998   2.232
  617    HB2  LYS  79           2HB      LYS  79   1.319   4.179   1.718
  618    HB3  LYS  79           1HB      LYS  79   0.531   3.915   3.272
  619    HG2  LYS  79           2HG      LYS  79   3.490   3.688   3.273
  620    HG3  LYS  79           1HG      LYS  79   2.844   5.306   2.996
  621    HD2  LYS  79           2HD      LYS  79   1.261   4.474   5.056
  622    HD3  LYS  79           1HD      LYS  79   2.764   3.636   5.437
  623    HE2  LYS  79           2HE      LYS  79   3.596   6.208   4.697
  624    HE3  LYS  79           1HE      LYS  79   2.143   6.477   5.678
  625    HZ1  LYS  79           3HZ      LYS  79   4.339   4.626   6.447
  626    HZ2  LYS  79           1HZ      LYS  79   3.016   5.096   7.402
  627    HZ3  LYS  79           2HZ      LYS  79   4.221   6.227   7.004
  628    H    ASP  80           H        ASP  80  -0.683   1.666   3.512
  629    HA   ASP  80           HA       ASP  80   0.015   1.108   6.235
  630    HB2  ASP  80           2HB      ASP  80  -2.307   0.765   4.399
  631    HB3  ASP  80           1HB      ASP  80  -2.313  -0.233   5.852
  632    H    PHE  81           H        PHE  81  -0.444  -1.040   3.409
  633    HA   PHE  81           HA       PHE  81  -0.069  -3.512   4.839
  634    HD1  PHE  81           HD2      PHE  81  -0.534  -5.842   3.724
  635    HD2  PHE  81           HD1      PHE  81   2.016  -3.809   0.928
  636    HE1  PHE  81           HE2      PHE  81   0.590  -7.987   3.188
  637    HE2  PHE  81           HE1      PHE  81   3.139  -5.953   0.392
  638    HZ   PHE  81           HZ       PHE  81   2.426  -8.042   1.522
  639    HB2  PHE  81           2HB      PHE  81  -1.085  -3.511   2.665
  640    HB3  PHE  81           1HB      PHE  81   0.271  -2.631   1.958
  641    H    VAL  82           H        VAL  82   2.201  -1.342   3.132
  642    HA   VAL  82           HA       VAL  82   4.524  -3.011   3.442
  643    HB   VAL  82           HB       VAL  82   4.175  -0.008   3.120
  644   HG11  VAL  82          1HG1      VAL  82   6.556  -0.427   2.026
  645   HG12  VAL  82          2HG1      VAL  82   6.587  -1.790   3.144
  646   HG13  VAL  82          3HG1      VAL  82   6.404  -0.149   3.761
  647   HG21  VAL  82          3HG2      VAL  82   3.999  -0.375   0.865
  648   HG22  VAL  82          1HG2      VAL  82   3.426  -1.961   1.379
  649   HG23  VAL  82          2HG2      VAL  82   5.109  -1.745   0.899
  650    H    ARG  83           H        ARG  83   3.044  -0.511   5.499
  651    HA   ARG  83           HA       ARG  83   5.186  -0.335   7.423
  652    HE   ARG  83           HE       ARG  83   3.938   2.646  11.241
  653    HB2  ARG  83           2HB      ARG  83   3.144   1.194   6.969
  654    HB3  ARG  83           1HB      ARG  83   2.234   0.054   7.959
  655    HG2  ARG  83           2HG      ARG  83   4.200   0.390   9.669
  656    HG3  ARG  83           1HG      ARG  83   4.484   1.877   8.763
  657    HD2  ARG  83           2HD      ARG  83   2.318   2.736   9.285
  658    HD3  ARG  83           1HD      ARG  83   1.744   1.151   9.846
  659   HH11  ARG  83          2HH1      ARG  83   3.077  -0.289  11.800
  660   HH12  ARG  83          1HH1      ARG  83   2.142  -0.063  13.240
  661   HH21  ARG  83          1HH2      ARG  83   1.878   3.379  12.836
  662   HH22  ARG  83          2HH2      ARG  83   1.459   2.022  13.828
  663    H    LYS  84           H        LYS  84   2.246  -2.357   7.228
  664    HA   LYS  84           HA       LYS  84   2.598  -3.645   9.790
  665    HB2  LYS  84           2HB      LYS  84   0.600  -3.457   8.030
  666    HB3  LYS  84           1HB      LYS  84   1.272  -4.985   7.460
  667    HG2  LYS  84           2HG      LYS  84   0.107  -5.993   9.107
  668    HG3  LYS  84           1HG      LYS  84   1.232  -5.250  10.244
  669    HD2  LYS  84           2HD      LYS  84  -1.122  -3.682   9.215
  670    HD3  LYS  84           1HD      LYS  84  -1.335  -4.826  10.540
  671    HE2  LYS  84           2HE      LYS  84   0.984  -3.373  11.213
  672    HE3  LYS  84           1HE      LYS  84  -0.170  -2.166  10.613
  673    HZ1  LYS  84           3HZ      LYS  84  -0.619  -4.203  12.727
  674    HZ2  LYS  84           1HZ      LYS  84  -1.882  -3.327  12.008
  675    HZ3  LYS  84           2HZ      LYS  84  -0.678  -2.513  12.888
  676    H    ALA  85           H        ALA  85   3.687  -4.402   6.488
  677    HA   ALA  85           HA       ALA  85   4.761  -7.012   7.093
  678    HB1  ALA  85           3HB      ALA  85   5.462  -4.986   4.943
  679    HB2  ALA  85           1HB      ALA  85   4.167  -6.177   4.834
  680    HB3  ALA  85           2HB      ALA  85   5.848  -6.705   4.892
  681    H    PHE  86           H        PHE  86   6.098  -3.716   7.184
  682    HA   PHE  86           HA       PHE  86   8.848  -4.511   7.644
  683    HD1  PHE  86           HD2      PHE  86  10.681  -2.921   8.740
  684    HD2  PHE  86           HD1      PHE  86   8.516  -1.391   5.358
  685    HE1  PHE  86           HE2      PHE  86  12.822  -2.437   7.587
  686    HE2  PHE  86           HE1      PHE  86  10.659  -0.907   4.206
  687    HZ   PHE  86           HZ       PHE  86  12.812  -1.429   5.321
  688    HB2  PHE  86           2HB      PHE  86   7.331  -2.154   7.208
  689    HB3  PHE  86           1HB      PHE  86   8.125  -1.934   8.764
  690    H    GLN  87           H        GLN  87   6.075  -3.758   9.744
  691    HA   GLN  87           HA       GLN  87   7.441  -3.689  12.260
  692    HB2  GLN  87           2HB      GLN  87   4.933  -3.225  11.356
  693    HB3  GLN  87           1HB      GLN  87   4.692  -4.821  12.064
  694    HG2  GLN  87           2HG      GLN  87   5.832  -3.927  14.161
  695    HG3  GLN  87           1HG      GLN  87   5.701  -2.322  13.442
  696   HE21  GLN  87          1HE2      GLN  87   3.154  -2.392  12.268
  697   HE22  GLN  87          2HE2      GLN  87   1.976  -2.641  13.465
  698    H    LYS  88           H        LYS  88   6.324  -6.369  10.247
  699    HA   LYS  88           HA       LYS  88   6.838  -8.356  12.381
  700    HB2  LYS  88           2HB      LYS  88   5.319  -8.122   9.896
  701    HB3  LYS  88           1HB      LYS  88   6.211  -9.642   9.977
  702    HG2  LYS  88           2HG      LYS  88   3.972  -9.878  10.988
  703    HG3  LYS  88           1HG      LYS  88   5.237 -10.105  12.194
  704    HD2  LYS  88           2HD      LYS  88   4.519  -7.302  12.000
  705    HD3  LYS  88           1HD      LYS  88   3.090  -8.284  12.317
  706    HE2  LYS  88           2HE      LYS  88   4.587  -9.456  14.122
  707    HE3  LYS  88           1HE      LYS  88   5.582  -7.993  13.990
  708    HZ1  LYS  88           3HZ      LYS  88   3.695  -7.889  15.645
  709    HZ2  LYS  88           1HZ      LYS  88   2.634  -7.892  14.322
  710    HZ3  LYS  88           2HZ      LYS  88   3.753  -6.626  14.511
  711    H    GLY  89           H        GLY  89   7.915  -7.852   8.983
  712    HA2  GLY  89           2HA      GLY  89  10.521  -7.803   8.897
  713    HA3  GLY  89           1HA      GLY  89  10.366  -9.400   9.622
  714    H    LEU  90           H        LEU  90   8.748  -7.696   6.909
  715    HA   LEU  90           HA       LEU  90   9.344 -10.094   5.215
  716    HG   LEU  90           HG       LEU  90   7.137 -10.784   6.690
  717    HB2  LEU  90           2HB      LEU  90   6.853  -8.539   5.752
  718    HB3  LEU  90           1HB      LEU  90   7.076  -9.171   4.122
  719   HD11  LEU  90          1HD1      LEU  90   4.934  -9.896   5.433
  720   HD12  LEU  90          2HD1      LEU  90   5.008 -11.490   6.184
  721   HD13  LEU  90          3HD1      LEU  90   5.254 -11.320   4.446
  722   HD21  LEU  90          3HD2      LEU  90   7.753 -11.463   3.816
  723   HD22  LEU  90          1HD2      LEU  90   7.141 -12.697   4.917
  724   HD23  LEU  90          2HD2      LEU  90   8.665 -11.881   5.266
  725    H    ILE  91           H        ILE  91   8.562  -6.590   5.117
  726    HA   ILE  91           HA       ILE  91   9.831  -6.399   2.440
  727    HB   ILE  91           HB       ILE  91   8.214  -4.492   4.164
  728   HG12  ILE  91          2HG1      ILE  91   7.549  -5.873   1.542
  729   HG13  ILE  91          1HG1      ILE  91   7.015  -6.440   3.124
  730   HG21  ILE  91          1HG2      ILE  91   9.653  -3.104   2.858
  731   HG22  ILE  91          2HG2      ILE  91   8.127  -3.156   1.974
  732   HG23  ILE  91          3HG2      ILE  91   9.489  -4.142   1.441
  733   HD11  ILE  91          3HD1      ILE  91   5.185  -5.152   2.599
  734   HD12  ILE  91          1HD1      ILE  91   6.111  -4.076   1.553
  735   HD13  ILE  91          2HD1      ILE  91   6.192  -3.888   3.305
  736    H    SER  92           H        SER  92  12.024  -6.113   2.531
  737    HA   SER  92           HA       SER  92  13.277  -4.731   4.830
  738    HG   SER  92           HG       SER  92  14.787  -7.776   3.821
  739    HB2  SER  92           2HB      SER  92  14.437  -6.046   2.354
  740    HB3  SER  92           1HB      SER  92  15.349  -5.548   3.776
  741    H    GLN  93           H        GLN  93  14.892  -3.001   4.386
  742    HA   GLN  93           HA       GLN  93  13.843  -0.855   2.809
  743    HB2  GLN  93           2HB      GLN  93  15.401  -0.842   4.851
  744    HB3  GLN  93           1HB      GLN  93  16.708  -1.207   3.725
  745    HG2  GLN  93           2HG      GLN  93  15.368   0.903   2.502
  746    HG3  GLN  93           1HG      GLN  93  15.338   1.328   4.213
  747   HE21  GLN  93          1HE2      GLN  93  17.360   1.163   1.400
  748   HE22  GLN  93          2HE2      GLN  93  18.818   1.574   2.166
  749    H    GLN  94           H        GLN  94  16.771  -2.863   2.264
  750    HA   GLN  94           HA       GLN  94  17.423  -1.811  -0.309
  751    HB2  GLN  94           2HB      GLN  94  18.076  -4.160   1.384
  752    HB3  GLN  94           1HB      GLN  94  18.394  -4.359  -0.339
  753    HG2  GLN  94           2HG      GLN  94  20.393  -3.393   0.317
  754    HG3  GLN  94           1HG      GLN  94  19.471  -1.942  -0.070
  755   HE21  GLN  94          1HE2      GLN  94  20.077  -0.429   1.516
  756   HE22  GLN  94          2HE2      GLN  94  20.071  -0.735   3.185
  757    H    GLU  95           H        GLU  95  15.426  -4.645   0.599
  758    HA   GLU  95           HA       GLU  95  14.911  -5.623  -2.027
  759    HB2  GLU  95           2HB      GLU  95  13.434  -5.654   0.607
  760    HB3  GLU  95           1HB      GLU  95  12.775  -6.469  -0.810
  761    HG2  GLU  95           2HG      GLU  95  15.596  -6.964   0.166
  762    HG3  GLU  95           1HG      GLU  95  14.221  -7.903   0.751
  763    H    ALA  96           H        ALA  96  13.190  -3.158  -0.093
  764    HA   ALA  96           HA       ALA  96  11.052  -2.680  -1.940
  765    HB1  ALA  96           3HB      ALA  96  10.852  -1.862   0.281
  766    HB2  ALA  96           1HB      ALA  96  11.100  -0.406  -0.682
  767    HB3  ALA  96           2HB      ALA  96  12.441  -1.099   0.229
  768    H    ASN  97           H        ASN  97  14.304  -1.245  -1.628
  769    HA   ASN  97           HA       ASN  97  14.019   0.759  -3.664
  770    HB2  ASN  97           2HB      ASN  97  16.361  -0.763  -2.483
  771    HB3  ASN  97           1HB      ASN  97  16.575   0.548  -3.642
  772   HD21  ASN  97          1HD2      ASN  97  14.820   2.500  -2.863
  773   HD22  ASN  97          2HD2      ASN  97  15.090   2.964  -1.252
  774    H    GLN  98           H        GLN  98  15.099  -2.642  -3.775
  775    HA   GLN  98           HA       GLN  98  15.889  -2.692  -6.531
  776    HB2  GLN  98           2HB      GLN  98  15.199  -4.594  -4.357
  777    HB3  GLN  98           1HB      GLN  98  15.032  -5.232  -5.992
  778    HG2  GLN  98           2HG      GLN  98  17.520  -3.780  -5.063
  779    HG3  GLN  98           1HG      GLN  98  17.328  -5.527  -4.913
  780   HE21  GLN  98          1HE2      GLN  98  18.136  -2.973  -7.116
  781   HE22  GLN  98          2HE2      GLN  98  18.261  -3.931  -8.512
  782    H    TRP  99           H        TRP  99  12.756  -3.298  -4.932
  783    HA   TRP  99           HA       TRP  99  11.326  -4.064  -7.323
  784    HD1  TRP  99           HD1      TRP  99   9.502  -5.651  -7.270
  785    HE1  TRP  99           HE1      TRP  99   6.988  -5.558  -7.836
  786    HE3  TRP  99           HE3      TRP  99   8.114  -1.619  -4.459
  787    HZ2  TRP  99           HZ2      TRP  99   4.694  -3.981  -7.180
  788    HZ3  TRP  99           HZ3      TRP  99   5.764  -0.849  -4.445
  789    HH2  TRP  99           HH2      TRP  99   4.052  -2.021  -5.804
  790    HB2  TRP  99           2HB      TRP  99  10.721  -4.463  -4.889
  791    HB3  TRP  99           1HB      TRP  99  10.273  -2.762  -4.794
  792    H    LEU 100           H        LEU 100  11.914  -0.972  -5.687
  793    HA   LEU 100           HA       LEU 100  10.124   0.639  -7.265
  794    HG   LEU 100           HG       LEU 100  10.076   0.654  -4.773
  795    HB2  LEU 100           2HB      LEU 100  12.552   1.124  -5.537
  796    HB3  LEU 100           1HB      LEU 100  11.820   2.454  -6.430
  797   HD11  LEU 100          1HD1      LEU 100  11.995   1.426  -3.342
  798   HD12  LEU 100          2HD1      LEU 100  10.429   2.045  -2.820
  799   HD13  LEU 100          3HD1      LEU 100  11.537   3.088  -3.711
  800   HD21  LEU 100          3HD2      LEU 100   9.648   3.563  -4.838
  801   HD22  LEU 100          1HD2      LEU 100   8.516   2.254  -5.176
  802   HD23  LEU 100          2HD2      LEU 100   9.615   2.817  -6.435
  803    H    SER 101           H        SER 101  13.457  -0.459  -7.773
  804    HA   SER 101           HA       SER 101  14.324   1.315  -9.794
  805    HG   SER 101           HG       SER 101  16.842  -0.022  -8.853
  806    HB2  SER 101           2HB      SER 101  14.782  -1.649  -9.353
  807    HB3  SER 101           1HB      SER 101  15.717  -0.684 -10.490
  808    H    SER 102           HN       SER 102  12.341  -1.648 -10.111
  809    HA   SER 102           HA       SER 102  11.252  -0.644 -12.665
  810    HG   SER 102           HG       SER 102  12.328  -1.233 -14.549
  811    HB2  SER 102           2HB      SER 102  13.283  -2.776 -12.373
  812    HB3  SER 102           1HB      SER 102  11.923  -3.193 -13.410
  Start of MODEL   11
    1    HA   GLU   1           HA       GLU   1  17.512  12.477  18.054
    2    H1   GLU   1           1H       GLU   1  19.166  13.836  19.185
    3    H2   GLU   1           2H       GLU   1  20.203  13.742  17.842
    4    H3   GLU   1           3H       GLU   1  19.844  12.347  18.742
    5    HB2  GLU   1           2HB      GLU   1  18.448  15.118  17.445
    6    HB3  GLU   1           1HB      GLU   1  17.836  14.397  15.955
    7    HG2  GLU   1           2HG      GLU   1  15.743  13.771  17.155
    8    HG3  GLU   1           1HG      GLU   1  16.349  14.597  18.591
    9    H    ALA   2           H        ALA   2  20.049  13.469  15.693
   10    HA   ALA   2           HA       ALA   2  20.882  12.372  13.781
   11    HB1  ALA   2           3HB      ALA   2  21.202  10.724  15.803
   12    HB2  ALA   2           1HB      ALA   2  21.417  10.114  14.162
   13    HB3  ALA   2           2HB      ALA   2  19.912   9.805  15.027
   14    H    TYR   3           H        TYR   3  19.837   9.938  12.576
   15    HA   TYR   3           HA       TYR   3  17.678  11.018  11.001
   16    HD1  TYR   3           HD1      TYR   3  17.753   9.983   8.291
   17    HD2  TYR   3           HD2      TYR   3  21.151   9.292  10.826
   18    HE1  TYR   3           HE1      TYR   3  19.248  10.893   6.535
   19    HE2  TYR   3           HE2      TYR   3  22.646  10.202   9.070
   20    HH   TYR   3           HH       TYR   3  21.918  12.066   6.823
   21    HB2  TYR   3           2HB      TYR   3  18.994   8.324  11.356
   22    HB3  TYR   3           1HB      TYR   3  17.614   8.513  10.276
   23    H    VAL   4           H        VAL   4  15.452  10.689  11.175
   24    HA   VAL   4           HA       VAL   4  14.502   9.165  13.584
   25    HB   VAL   4           HB       VAL   4  13.375  11.602  12.157
   26   HG11  VAL   4          1HG1      VAL   4  12.416  10.073  14.595
   27   HG12  VAL   4          2HG1      VAL   4  11.550  10.291  13.074
   28   HG13  VAL   4          3HG1      VAL   4  11.824  11.670  14.139
   29   HG21  VAL   4          3HG2      VAL   4  14.795  11.220  14.811
   30   HG22  VAL   4          1HG2      VAL   4  13.927  12.692  14.375
   31   HG23  VAL   4          2HG2      VAL   4  15.337  12.191  13.442
   32    H    GLN   5           H        GLN   5  13.462  10.187  10.289
   33    HA   GLN   5           HA       GLN   5  11.397   8.107  10.176
   34    HB2  GLN   5           2HB      GLN   5  11.589  10.515   9.093
   35    HB3  GLN   5           1HB      GLN   5  12.432   9.647   7.810
   36    HG2  GLN   5           2HG      GLN   5  10.124   9.683   7.177
   37    HG3  GLN   5           1HG      GLN   5  10.442   8.050   7.759
   38   HE21  GLN   5          1HE2      GLN   5   8.827  11.113   8.571
   39   HE22  GLN   5          2HE2      GLN   5   7.918  10.485   9.859
   40    H    GLY   6           H        GLY   6  11.420   6.338   8.618
   41    HA2  GLY   6           2HA      GLY   6  13.874   5.697   7.172
   42    HA3  GLY   6           1HA      GLY   6  13.587   4.647   8.560
   43    H    TRP   7           H        TRP   7  11.567   3.394   8.573
   44    HA   TRP   7           HA       TRP   7  10.971   2.191   6.035
   45    HD1  TRP   7           HD1      TRP   7   8.255   3.768   8.703
   46    HE1  TRP   7           HE1      TRP   7   8.276   4.149  11.249
   47    HE3  TRP   7           HE3      TRP   7  11.453   0.056  10.109
   48    HZ2  TRP   7           HZ2      TRP   7   9.488   3.015  13.585
   49    HZ3  TRP   7           HZ3      TRP   7  12.023  -0.279  12.499
   50    HH2  TRP   7           HH2      TRP   7  11.043   1.194  14.238
   51    HB2  TRP   7           2HB      TRP   7   9.027   1.176   7.423
   52    HB3  TRP   7           1HB      TRP   7  10.672   0.818   7.926
   53    H    GLU   8           H        GLU   8   9.616   4.973   7.645
   54    HA   GLU   8           HA       GLU   8   7.040   5.002   6.356
   55    HB2  GLU   8           2HB      GLU   8   8.644   6.616   8.127
   56    HB3  GLU   8           1HB      GLU   8   7.980   7.646   6.861
   57    HG2  GLU   8           2HG      GLU   8   6.295   7.653   8.505
   58    HG3  GLU   8           1HG      GLU   8   5.734   6.442   7.353
   59    H    ALA   9           H        ALA   9  10.224   6.344   5.509
   60    HA   ALA   9           HA       ALA   9   9.325   7.679   3.095
   61    HB1  ALA   9           3HB      ALA   9  11.749   7.899   2.707
   62    HB2  ALA   9           1HB      ALA   9  12.067   6.679   3.941
   63    HB3  ALA   9           2HB      ALA   9  11.380   8.239   4.397
   64    H    VAL  10           H        VAL  10  10.748   4.502   3.829
   65    HA   VAL  10           HA       VAL  10  10.970   3.624   1.088
   66    HB   VAL  10           HB       VAL  10  10.733   2.137   3.731
   67   HG11  VAL  10          1HG1      VAL  10  10.303   0.439   2.209
   68   HG12  VAL  10          2HG1      VAL  10  12.066   0.411   2.214
   69   HG13  VAL  10          3HG1      VAL  10  11.201   1.230   0.913
   70   HG21  VAL  10          3HG2      VAL  10  13.276   1.863   3.186
   71   HG22  VAL  10          1HG2      VAL  10  12.716   3.398   3.849
   72   HG23  VAL  10          2HG2      VAL  10  13.028   3.245   2.120
   73    H    ALA  11           H        ALA  11   8.457   3.364   3.596
   74    HA   ALA  11           HA       ALA  11   6.657   1.656   2.164
   75    HB1  ALA  11           3HB      ALA  11   6.299   3.771   4.309
   76    HB2  ALA  11           1HB      ALA  11   6.456   2.030   4.548
   77    HB3  ALA  11           2HB      ALA  11   5.005   2.691   3.794
   78    H    ALA  12           H        ALA  12   7.040   5.202   2.285
   79    HA   ALA  12           HA       ALA  12   4.750   5.888   0.718
   80    HB1  ALA  12           3HB      ALA  12   5.991   8.019   0.426
   81    HB2  ALA  12           1HB      ALA  12   7.460   7.233   1.005
   82    HB3  ALA  12           2HB      ALA  12   6.090   7.452   2.093
   83    H    ALA  13           H        ALA  13   8.120   5.133  -0.203
   84    HA   ALA  13           HA       ALA  13   7.792   5.615  -3.023
   85    HB1  ALA  13           3HB      ALA  13   9.921   5.392  -1.604
   86    HB2  ALA  13           1HB      ALA  13   9.949   4.578  -3.167
   87    HB3  ALA  13           2HB      ALA  13   9.674   3.649  -1.694
   88    H    VAL  14           H        VAL  14   7.431   2.695  -0.997
   89    HA   VAL  14           HA       VAL  14   6.923   0.860  -3.149
   90    HB   VAL  14           HB       VAL  14   6.053   0.881  -0.234
   91   HG11  VAL  14          1HG1      VAL  14   5.847  -1.167  -2.421
   92   HG12  VAL  14          2HG1      VAL  14   4.689  -0.772  -1.152
   93   HG13  VAL  14          3HG1      VAL  14   6.134  -1.707  -0.767
   94   HG21  VAL  14          3HG2      VAL  14   8.170  -0.966  -1.087
   95   HG22  VAL  14          1HG2      VAL  14   8.137   0.145   0.282
   96   HG23  VAL  14          2HG2      VAL  14   8.609   0.727  -1.314
   97    H    ALA  15           H        ALA  15   4.795   2.907  -1.141
   98    HA   ALA  15           HA       ALA  15   2.288   1.998  -2.171
   99    HB1  ALA  15           3HB      ALA  15   2.128   3.305  -0.253
  100    HB2  ALA  15           1HB      ALA  15   1.749   4.518  -1.476
  101    HB3  ALA  15           2HB      ALA  15   3.374   4.429  -0.798
  102    H    SER  16           H        SER  16   4.526   4.553  -3.268
  103    HA   SER  16           HA       SER  16   2.911   5.647  -5.353
  104    HG   SER  16           HG       SER  16   5.737   7.388  -6.342
  105    HB2  SER  16           2HB      SER  16   5.167   6.392  -4.264
  106    HB3  SER  16           1HB      SER  16   5.913   5.349  -5.472
  107    H    LYS  17           H        LYS  17   5.253   2.943  -5.342
  108    HA   LYS  17           HA       LYS  17   5.055   2.368  -8.163
  109    HB2  LYS  17           2HB      LYS  17   6.900   1.681  -6.625
  110    HB3  LYS  17           1HB      LYS  17   5.790   0.566  -5.830
  111    HG2  LYS  17           2HG      LYS  17   5.937  -0.953  -7.505
  112    HG3  LYS  17           1HG      LYS  17   5.821   0.285  -8.754
  113    HD2  LYS  17           2HD      LYS  17   8.267   0.883  -7.985
  114    HD3  LYS  17           1HD      LYS  17   8.260  -0.760  -7.346
  115    HE2  LYS  17           2HE      LYS  17   7.539  -0.069 -10.219
  116    HE3  LYS  17           1HE      LYS  17   9.140  -0.633  -9.703
  117    HZ1  LYS  17           3HZ      LYS  17   7.903  -2.520  -8.583
  118    HZ2  LYS  17           1HZ      LYS  17   7.966  -2.572 -10.276
  119    HZ3  LYS  17           2HZ      LYS  17   6.548  -2.058  -9.498
  120    H    ILE  18           H        ILE  18   3.163   1.380  -5.337
  121    HA   ILE  18           HA       ILE  18   1.748  -0.805  -6.569
  122    HB   ILE  18           HB       ILE  18   1.253   1.052  -4.229
  123   HG12  ILE  18          2HG1      ILE  18   3.085  -0.710  -4.175
  124   HG13  ILE  18          1HG1      ILE  18   1.882  -0.847  -2.895
  125   HG21  ILE  18          1HG2      ILE  18  -0.531  -0.667  -3.583
  126   HG22  ILE  18          2HG2      ILE  18  -0.468  -1.213  -5.259
  127   HG23  ILE  18          3HG2      ILE  18  -0.958   0.440  -4.887
  128   HD11  ILE  18          3HD1      ILE  18   0.700  -2.591  -4.151
  129   HD12  ILE  18          1HD1      ILE  18   2.388  -3.048  -3.930
  130   HD13  ILE  18          2HD1      ILE  18   1.840  -2.426  -5.485
  131    H    VAL  19           H        VAL  19   0.979   2.671  -6.166
  132    HA   VAL  19           HA       VAL  19  -1.603   2.600  -7.406
  133    HB   VAL  19           HB       VAL  19   0.516   4.726  -6.991
  134   HG11  VAL  19          1HG1      VAL  19  -2.025   4.846  -8.527
  135   HG12  VAL  19          2HG1      VAL  19  -0.575   5.841  -8.668
  136   HG13  VAL  19          3HG1      VAL  19  -1.747   6.165  -7.391
  137   HG21  VAL  19          3HG2      VAL  19  -0.885   5.438  -5.181
  138   HG22  VAL  19          1HG2      VAL  19  -0.781   3.682  -5.046
  139   HG23  VAL  19          2HG2      VAL  19  -2.225   4.431  -5.731
  140    H    GLY  20           H        GLY  20   1.665   3.111  -8.747
  141    HA2  GLY  20           2HA      GLY  20   0.743   3.679 -11.436
  142    HA3  GLY  20           1HA      GLY  20   2.396   3.282 -10.977
  143    H    LEU  21           H        LEU  21   1.474   0.709  -9.676
  144    HA   LEU  21           HA       LEU  21   1.121  -0.857 -12.204
  145    HG   LEU  21           HG       LEU  21   1.877  -3.023 -12.127
  146    HB2  LEU  21           2HB      LEU  21   3.221  -0.864 -10.584
  147    HB3  LEU  21           1HB      LEU  21   2.222  -1.981  -9.655
  148   HD11  LEU  21          1HD1      LEU  21   3.981  -2.966 -13.351
  149   HD12  LEU  21          2HD1      LEU  21   4.721  -1.966 -12.101
  150   HD13  LEU  21          3HD1      LEU  21   3.423  -1.313 -13.102
  151   HD21  LEU  21          3HD2      LEU  21   3.861  -4.544 -11.493
  152   HD22  LEU  21          1HD2      LEU  21   2.554  -4.409 -10.317
  153   HD23  LEU  21          2HD2      LEU  21   4.050  -3.506 -10.080
  154    H    TRP  22           H        TRP  22  -1.095   0.191 -10.376
  155    HA   TRP  22           HA       TRP  22  -2.141  -2.320  -9.190
  156    HD1  TRP  22           HD1      TRP  22  -4.065  -2.843  -7.804
  157    HE1  TRP  22           HE1      TRP  22  -6.570  -2.690  -7.228
  158    HE3  TRP  22           HE3      TRP  22  -4.896   2.100  -8.783
  159    HZ2  TRP  22           HZ2      TRP  22  -8.653  -0.732  -7.186
  160    HZ3  TRP  22           HZ3      TRP  22  -7.148   3.082  -8.465
  161    HH2  TRP  22           HH2      TRP  22  -9.026   1.673  -7.667
  162    HB2  TRP  22           2HB      TRP  22  -2.265  -0.352  -7.818
  163    HB3  TRP  22           1HB      TRP  22  -2.924   0.609  -9.137
  164    H    ARG  23           H        ARG  23  -3.740  -3.494 -10.178
  165    HA   ARG  23           HA       ARG  23  -4.868  -2.508 -12.757
  166    HE   ARG  23           HE       ARG  23  -4.785  -5.393 -16.217
  167    HB2  ARG  23           2HB      ARG  23  -3.688  -4.834 -12.074
  168    HB3  ARG  23           1HB      ARG  23  -5.348  -5.250 -11.659
  169    HG2  ARG  23           2HG      ARG  23  -6.103  -4.948 -13.875
  170    HG3  ARG  23           1HG      ARG  23  -4.694  -3.982 -14.317
  171    HD2  ARG  23           2HD      ARG  23  -3.370  -6.203 -13.728
  172    HD3  ARG  23           1HD      ARG  23  -4.939  -6.965 -14.059
  173   HH11  ARG  23          2HH1      ARG  23  -1.916  -4.784 -15.885
  174   HH12  ARG  23          1HH1      ARG  23  -1.139  -6.064 -16.755
  175   HH21  ARG  23          1HH2      ARG  23  -3.963  -8.093 -16.812
  176   HH22  ARG  23          2HH2      ARG  23  -2.304  -7.943 -17.288
  177    H    ASN  24           H        ASN  24  -7.281  -3.911 -12.804
  178    HA   ASN  24           HA       ASN  24  -9.161  -2.284 -11.536
  179    HB2  ASN  24           2HB      ASN  24  -9.050  -5.022 -12.669
  180    HB3  ASN  24           1HB      ASN  24 -10.411  -4.718 -11.590
  181   HD21  ASN  24          1HD2      ASN  24 -11.517  -2.431 -12.092
  182   HD22  ASN  24          2HD2      ASN  24 -11.756  -2.099 -13.739
  183    H    GLU  25           H        GLU  25  -7.674  -5.263 -10.254
  184    HA   GLU  25           HA       GLU  25  -8.065  -4.370  -7.492
  185    HB2  GLU  25           2HB      GLU  25  -9.542  -6.271  -6.904
  186    HB3  GLU  25           1HB      GLU  25 -10.292  -5.246  -8.126
  187    HG2  GLU  25           2HG      GLU  25  -8.838  -7.073  -9.637
  188    HG3  GLU  25           1HG      GLU  25  -9.462  -8.050  -8.309
  189    H    LYS  26           H        LYS  26  -5.771  -5.138  -9.131
  190    HA   LYS  26           HA       LYS  26  -4.738  -7.364  -7.446
  191    HB2  LYS  26           2HB      LYS  26  -5.749  -8.178  -9.628
  192    HB3  LYS  26           1HB      LYS  26  -4.476  -7.281 -10.458
  193    HG2  LYS  26           2HG      LYS  26  -2.778  -8.664  -9.638
  194    HG3  LYS  26           1HG      LYS  26  -3.748  -9.206  -8.268
  195    HD2  LYS  26           2HD      LYS  26  -5.263 -10.385  -9.895
  196    HD3  LYS  26           1HD      LYS  26  -4.117  -9.975 -11.173
  197    HE2  LYS  26           2HE      LYS  26  -2.320 -11.168  -9.905
  198    HE3  LYS  26           1HE      LYS  26  -3.538 -11.664  -8.712
  199    HZ1  LYS  26           3HZ      LYS  26  -3.322 -13.362 -10.404
  200    HZ2  LYS  26           1HZ      LYS  26  -3.606 -12.229 -11.633
  201    HZ3  LYS  26           2HZ      LYS  26  -4.845 -12.622 -10.540
  202    H    THR  27           H        THR  27  -2.378  -7.482  -7.457
  203    HA   THR  27           HA       THR  27  -0.784  -5.450  -8.835
  204    HB   THR  27           HB       THR  27  -1.838  -4.136  -7.040
  205    HG1  THR  27           HG1      THR  27   0.720  -4.539  -6.023
  206   HG21  THR  27          3HG2      THR  27  -0.617  -6.205  -5.191
  207   HG22  THR  27          1HG2      THR  27  -2.338  -5.957  -5.478
  208   HG23  THR  27          2HG2      THR  27  -1.391  -4.712  -4.666
  209    H    GLU  28           H        GLU  28   1.526  -5.882  -8.511
  210    HA   GLU  28           HA       GLU  28   2.056  -8.580  -7.309
  211    HB2  GLU  28           2HB      GLU  28   3.388  -6.984  -9.520
  212    HB3  GLU  28           1HB      GLU  28   4.006  -8.521  -8.917
  213    HG2  GLU  28           2HG      GLU  28   2.574  -9.633 -10.247
  214    HG3  GLU  28           1HG      GLU  28   1.212  -8.837  -9.459
  215    H    LEU  29           H        LEU  29   2.942  -8.298  -5.269
  216    HA   LEU  29           HA       LEU  29   4.838  -6.022  -4.848
  217    HG   LEU  29           HG       LEU  29   2.849  -5.091  -4.205
  218    HB2  LEU  29           2HB      LEU  29   2.891  -7.568  -3.200
  219    HB3  LEU  29           1HB      LEU  29   4.319  -6.942  -2.377
  220   HD11  LEU  29          1HD1      LEU  29   1.278  -4.493  -2.398
  221   HD12  LEU  29          2HD1      LEU  29   1.911  -5.809  -1.409
  222   HD13  LEU  29          3HD1      LEU  29   1.046  -6.166  -2.904
  223   HD21  LEU  29          3HD2      LEU  29   4.890  -4.335  -3.106
  224   HD22  LEU  29          1HD2      LEU  29   4.269  -4.835  -1.533
  225   HD23  LEU  29          2HD2      LEU  29   3.517  -3.491  -2.390
  226    H    LEU  30           H        LEU  30   6.987  -6.496  -4.597
  227    HA   LEU  30           HA       LEU  30   8.978  -7.732  -4.359
  228    HG   LEU  30           HG       LEU  30  10.099  -9.271  -2.649
  229    HB2  LEU  30           2HB      LEU  30   7.360  -8.054  -2.169
  230    HB3  LEU  30           1HB      LEU  30   7.658  -9.728  -2.626
  231   HD11  LEU  30          1HD1      LEU  30   9.154  -6.550  -2.512
  232   HD12  LEU  30          2HD1      LEU  30  10.799  -7.134  -2.767
  233   HD13  LEU  30          3HD1      LEU  30  10.199  -6.878  -1.130
  234   HD21  LEU  30          3HD2      LEU  30   8.622  -9.894  -0.540
  235   HD22  LEU  30          1HD2      LEU  30   9.111  -8.291   0.008
  236   HD23  LEU  30          2HD2      LEU  30  10.332  -9.512  -0.348
  237    H    GLY  31           H        GLY  31   7.218  -8.524  -6.584
  238    HA2  GLY  31           2HA      GLY  31   7.251 -10.206  -8.227
  239    HA3  GLY  31           1HA      GLY  31   8.460 -11.049  -7.259
  240    H    HIS  32           H        HIS  32   5.428 -10.179  -5.755
  241    HA   HIS  32           HA       HIS  32   4.554 -13.040  -5.899
  242    HD1  HIS  32           HD1      HIS  32   5.959 -14.299  -4.808
  243    HD2  HIS  32           HD2      HIS  32   6.662 -11.241  -2.061
  244    HE1  HIS  32           HE1      HIS  32   8.210 -14.784  -3.755
  245    HB2  HIS  32           2HB      HIS  32   4.415 -11.001  -3.655
  246    HB3  HIS  32           1HB      HIS  32   3.720 -12.613  -3.580
  247    H    GLU  33           H        GLU  33   2.243 -13.351  -6.001
  248    HA   GLU  33           HA       GLU  33   0.794 -11.185  -7.330
  249    HB2  GLU  33           2HB      GLU  33   0.570 -14.069  -6.856
  250    HB3  GLU  33           1HB      GLU  33  -0.988 -13.248  -6.764
  251    HG2  GLU  33           2HG      GLU  33  -0.989 -13.401  -9.028
  252    HG3  GLU  33           1HG      GLU  33   0.154 -12.059  -8.971
  253    H    CYS  34           H        CYS  34  -0.470  -9.710  -6.335
  254    HA   CYS  34           HA       CYS  34  -1.537 -10.308  -3.601
  255    HB2  CYS  34           2HB      CYS  34  -0.158  -7.863  -4.720
  256    HB3  CYS  34           1HB      CYS  34  -1.129  -7.792  -3.252
  257    H    LYS  35           H        LYS  35  -3.376  -8.714  -3.085
  258    HA   LYS  35           HA       LYS  35  -4.977  -8.105  -5.543
  259    HB2  LYS  35           2HB      LYS  35  -5.555 -10.195  -4.185
  260    HB3  LYS  35           1HB      LYS  35  -6.059  -9.096  -2.904
  261    HG2  LYS  35           2HG      LYS  35  -8.078  -9.228  -3.977
  262    HG3  LYS  35           1HG      LYS  35  -7.363  -7.981  -4.997
  263    HD2  LYS  35           2HD      LYS  35  -6.745  -9.563  -6.671
  264    HD3  LYS  35           1HD      LYS  35  -7.054 -10.928  -5.598
  265    HE2  LYS  35           2HE      LYS  35  -9.311  -9.037  -6.216
  266    HE3  LYS  35           1HE      LYS  35  -8.864 -10.273  -7.407
  267    HZ1  LYS  35           3HZ      LYS  35  -9.043 -11.966  -5.724
  268    HZ2  LYS  35           1HZ      LYS  35 -10.496 -11.093  -5.767
  269    HZ3  LYS  35           2HZ      LYS  35  -9.373 -10.810  -4.524
  270    H    PHE  36           H        PHE  36  -4.712  -5.867  -5.517
  271    HA   PHE  36           HA       PHE  36  -5.423  -4.408  -3.000
  272    HD1  PHE  36           HD2      PHE  36  -5.435  -2.310  -2.482
  273    HD2  PHE  36           HD1      PHE  36  -2.865  -1.623  -5.856
  274    HE1  PHE  36           HE2      PHE  36  -5.710   0.136  -2.198
  275    HE2  PHE  36           HE1      PHE  36  -3.140   0.821  -5.566
  276    HZ   PHE  36           HZ       PHE  36  -4.563   1.696  -3.741
  277    HB2  PHE  36           2HB      PHE  36  -3.177  -3.977  -3.725
  278    HB3  PHE  36           1HB      PHE  36  -3.674  -3.820  -5.403
  279    H    THR  37           H        THR  37  -7.230  -3.039  -3.089
  280    HA   THR  37           HA       THR  37  -8.309  -2.241  -5.746
  281    HB   THR  37           HB       THR  37 -10.287  -3.322  -3.808
  282    HG1  THR  37           HG1      THR  37  -9.345  -5.183  -3.696
  283   HG21  THR  37          3HG2      THR  37 -10.819  -4.417  -6.232
  284   HG22  THR  37          1HG2      THR  37  -9.930  -2.975  -6.722
  285   HG23  THR  37          2HG2      THR  37 -11.383  -2.822  -5.735
  286    H    VAL  38           H        VAL  38 -10.245  -0.748  -5.420
  287    HA   VAL  38           HA       VAL  38 -10.066   0.841  -2.890
  288    HB   VAL  38           HB       VAL  38  -9.983   1.786  -5.774
  289   HG11  VAL  38          1HG1      VAL  38 -11.416   3.324  -4.600
  290   HG12  VAL  38          2HG1      VAL  38  -9.828   4.085  -4.707
  291   HG13  VAL  38          3HG1      VAL  38 -10.348   3.338  -3.197
  292   HG21  VAL  38          3HG2      VAL  38  -7.824   1.052  -4.828
  293   HG22  VAL  38          1HG2      VAL  38  -8.064   2.116  -3.442
  294   HG23  VAL  38          2HG2      VAL  38  -7.840   2.802  -5.051
  295    H    LYS  39           H        LYS  39 -12.120   1.238  -2.054
  296    HA   LYS  39           HA       LYS  39 -14.446   1.138  -3.935
  297    HB2  LYS  39           2HB      LYS  39 -13.836  -1.029  -2.621
  298    HB3  LYS  39           1HB      LYS  39 -14.493  -0.175  -1.224
  299    HG2  LYS  39           2HG      LYS  39 -16.650  -0.140  -2.079
  300    HG3  LYS  39           1HG      LYS  39 -16.098  -0.227  -3.753
  301    HD2  LYS  39           2HD      LYS  39 -15.293  -2.587  -3.241
  302    HD3  LYS  39           1HD      LYS  39 -16.174  -2.465  -1.718
  303    HE2  LYS  39           2HE      LYS  39 -18.255  -2.479  -2.758
  304    HE3  LYS  39           1HE      LYS  39 -17.620  -1.784  -4.263
  305    HZ1  LYS  39           3HZ      LYS  39 -16.398  -3.835  -4.658
  306    HZ2  LYS  39           1HZ      LYS  39 -18.058  -4.156  -4.521
  307    HZ3  LYS  39           2HZ      LYS  39 -17.018  -4.508  -3.225
  308    HA   PRO  40           HA       PRO  40 -14.930   4.791  -1.213
  309    HB2  PRO  40           2HB      PRO  40 -16.029   6.383  -3.136
  310    HB3  PRO  40           1HB      PRO  40 -14.276   6.157  -2.977
  311    HG2  PRO  40           2HG      PRO  40 -16.173   4.931  -4.906
  312    HG3  PRO  40           1HG      PRO  40 -14.507   5.468  -5.148
  313    HD2  PRO  40           2HD      PRO  40 -15.261   2.849  -4.802
  314    HD3  PRO  40           1HD      PRO  40 -13.636   3.480  -4.459
  315    H    TYR  41           H        TYR  41 -17.045   6.025  -0.738
  316    HA   TYR  41           HA       TYR  41 -19.525   4.732  -1.692
  317    HD1  TYR  41           HD1      TYR  41 -18.595   6.228   2.216
  318    HD2  TYR  41           HD2      TYR  41 -17.151   2.528   0.580
  319    HE1  TYR  41           HE1      TYR  41 -16.625   6.331   3.717
  320    HE2  TYR  41           HE2      TYR  41 -15.181   2.635   2.078
  321    HH   TYR  41           HH       TYR  41 -14.953   4.243   4.697
  322    HB2  TYR  41           2HB      TYR  41 -20.074   4.643   0.940
  323    HB3  TYR  41           1HB      TYR  41 -19.369   3.288   0.081
  324    H    LEU  42           H        LEU  42 -21.404   5.787  -0.277
  325    HA   LEU  42           HA       LEU  42 -20.869   8.738  -0.257
  326    HG   LEU  42           HG       LEU  42 -22.311  10.092  -0.879
  327    HB2  LEU  42           2HB      LEU  42 -22.481   7.463  -1.926
  328    HB3  LEU  42           1HB      LEU  42 -23.594   7.527  -0.559
  329   HD11  LEU  42          1HD1      LEU  42 -23.278  10.686  -3.082
  330   HD12  LEU  42          2HD1      LEU  42 -23.742   9.001  -3.322
  331   HD13  LEU  42          3HD1      LEU  42 -22.036   9.442  -3.231
  332   HD21  LEU  42          3HD2      LEU  42 -24.503   9.527   0.241
  333   HD22  LEU  42          1HD2      LEU  42 -25.192   9.273  -1.362
  334   HD23  LEU  42          2HD2      LEU  42 -24.604  10.869  -0.899
  335    H    LYS  43           H        LYS  43 -21.808   9.975   1.424
  336    HA   LYS  43           HA       LYS  43 -22.773   8.425   3.800
  337    HB2  LYS  43           2HB      LYS  43 -20.451   9.854   3.493
  338    HB3  LYS  43           1HB      LYS  43 -21.522  11.081   4.161
  339    HG2  LYS  43           2HG      LYS  43 -20.645  10.090   6.095
  340    HG3  LYS  43           1HG      LYS  43 -22.160   9.209   5.885
  341    HD2  LYS  43           2HD      LYS  43 -21.032   7.342   4.877
  342    HD3  LYS  43           1HD      LYS  43 -19.523   8.246   4.751
  343    HE2  LYS  43           2HE      LYS  43 -19.616   8.439   7.325
  344    HE3  LYS  43           1HE      LYS  43 -20.846   7.161   7.247
  345    HZ1  LYS  43           3HZ      LYS  43 -18.593   6.242   7.431
  346    HZ2  LYS  43           1HZ      LYS  43 -18.151   7.022   5.991
  347    HZ3  LYS  43           2HZ      LYS  43 -19.332   5.799   5.966
  348    H    ARG  44           H        ARG  44 -23.937  10.108   5.343
  349    HA   ARG  44           HA       ARG  44 -26.408  10.861   4.435
  350    HE   ARG  44           HE       ARG  44 -26.219   8.376   8.615
  351    HB2  ARG  44           2HB      ARG  44 -24.543  12.011   6.491
  352    HB3  ARG  44           1HB      ARG  44 -26.127  12.744   6.244
  353    HG2  ARG  44           2HG      ARG  44 -27.008  11.147   7.562
  354    HG3  ARG  44           1HG      ARG  44 -26.586   9.962   6.326
  355    HD2  ARG  44           2HD      ARG  44 -24.462   9.503   7.360
  356    HD3  ARG  44           1HD      ARG  44 -24.629  10.891   8.455
  357   HH11  ARG  44          1HH2      ARG  44 -27.961  10.600   9.417
  358   HH12  ARG  44          2HH2      ARG  44 -27.607  10.798  11.101
  359   HH21  ARG  44          2HH1      ARG  44 -24.632   9.008  10.953
  360   HH22  ARG  44          1HH1      ARG  44 -25.715   9.894  11.973
  361    H    PHE  45           H        PHE  45 -23.479  12.881   4.169
  362    HA   PHE  45           HA       PHE  45 -24.705  14.348   1.927
  363    HD1  PHE  45           HD1      PHE  45 -24.775  14.273   5.994
  364    HD2  PHE  45           HD2      PHE  45 -22.387  17.277   4.062
  365    HE1  PHE  45           HE1      PHE  45 -23.386  14.484   8.036
  366    HE2  PHE  45           HE2      PHE  45 -20.998  17.486   6.104
  367    HZ   PHE  45           HZ       PHE  45 -21.497  16.089   8.092
  368    HB2  PHE  45           2HB      PHE  45 -24.435  16.540   3.062
  369    HB3  PHE  45           1HB      PHE  45 -25.557  15.498   3.931
  370    H    GLN  46           H        GLN  46 -22.336  12.616   2.204
  371    HA   GLN  46           HA       GLN  46 -20.364  14.414   0.972
  372    HB2  GLN  46           2HB      GLN  46 -20.375  13.970   3.784
  373    HB3  GLN  46           1HB      GLN  46 -18.995  13.089   3.130
  374    HG2  GLN  46           2HG      GLN  46 -17.947  15.002   2.376
  375    HG3  GLN  46           1HG      GLN  46 -19.465  15.865   2.127
  376   HE21  GLN  46          1HE2      GLN  46 -19.514  17.617   3.548
  377   HE22  GLN  46          2HE2      GLN  46 -19.037  17.563   5.175
  378    H    VAL  47           H        VAL  47 -18.830  13.235  -0.251
  379    HA   VAL  47           HA       VAL  47 -19.332  10.306  -0.466
  380    HB   VAL  47           HB       VAL  47 -17.768  12.258  -2.194
  381   HG11  VAL  47          1HG1      VAL  47 -18.176  10.360  -3.900
  382   HG12  VAL  47          2HG1      VAL  47 -18.532   9.351  -2.499
  383   HG13  VAL  47          3HG1      VAL  47 -16.940  10.087  -2.672
  384   HG21  VAL  47          3HG2      VAL  47 -20.633  11.419  -2.080
  385   HG22  VAL  47          1HG2      VAL  47 -19.912  11.608  -3.678
  386   HG23  VAL  47          2HG2      VAL  47 -19.936  12.968  -2.554
  387    H    TYR  48           H        TYR  48 -17.916   8.940   0.565
  388    HA   TYR  48           HA       TYR  48 -15.227  10.004   1.331
  389    HD1  TYR  48           HD1      TYR  48 -18.535   9.956   3.122
  390    HD2  TYR  48           HD2      TYR  48 -14.382   9.679   4.192
  391    HE1  TYR  48           HE1      TYR  48 -18.830  11.807   4.744
  392    HE2  TYR  48           HE2      TYR  48 -14.679  11.529   5.815
  393    HH   TYR  48           HH       TYR  48 -17.451  12.487   7.026
  394    HB2  TYR  48           2HB      TYR  48 -17.180   8.020   2.465
  395    HB3  TYR  48           1HB      TYR  48 -15.476   7.911   2.908
  396    H    TYR  49           H        TYR  49 -13.370   8.691   0.967
  397    HA   TYR  49           HA       TYR  49 -13.718   6.604  -1.151
  398    HD1  TYR  49           HD2      TYR  49 -14.044   8.849  -2.570
  399    HD2  TYR  49           HD1      TYR  49 -10.274   6.826  -2.917
  400    HE1  TYR  49           HE2      TYR  49 -14.295   8.804  -5.037
  401    HE2  TYR  49           HE1      TYR  49 -10.518   6.784  -5.382
  402    HH   TYR  49           HH       TYR  49 -13.244   7.131  -6.963
  403    HB2  TYR  49           2HB      TYR  49 -12.032   8.895  -0.744
  404    HB3  TYR  49           1HB      TYR  49 -11.017   7.458  -0.820
  405    H    LYS  50           H        LYS  50 -12.359   4.661  -0.969
  406    HA   LYS  50           HA       LYS  50 -10.937   4.174   1.570
  407    HB2  LYS  50           2HB      LYS  50 -13.321   3.790   2.088
  408    HB3  LYS  50           1HB      LYS  50 -13.426   2.642   0.755
  409    HG2  LYS  50           2HG      LYS  50 -12.431   0.990   1.950
  410    HG3  LYS  50           1HG      LYS  50 -11.217   2.083   2.616
  411    HD2  LYS  50           2HD      LYS  50 -12.853   2.939   4.237
  412    HD3  LYS  50           1HD      LYS  50 -14.092   1.882   3.559
  413    HE2  LYS  50           2HE      LYS  50 -13.133  -0.047   4.452
  414    HE3  LYS  50           1HE      LYS  50 -11.508   0.664   4.504
  415    HZ1  LYS  50           3HZ      LYS  50 -12.131   2.082   6.274
  416    HZ2  LYS  50           1HZ      LYS  50 -12.669   0.534   6.710
  417    HZ3  LYS  50           2HZ      LYS  50 -13.777   1.684   6.128
  418    H    GLY  51           H        GLY  51  -9.538   2.349   1.410
  419    HA2  GLY  51           2HA      GLY  51  -9.652   0.739  -1.065
  420    HA3  GLY  51           1HA      GLY  51  -8.182   1.661  -0.784
  421    H    ARG  52           H        ARG  52  -8.556  -1.264  -0.881
  422    HA   ARG  52           HA       ARG  52  -7.261  -1.921   1.713
  423    HE   ARG  52           HE       ARG  52 -11.275  -4.180   2.605
  424    HB2  ARG  52           2HB      ARG  52  -9.722  -2.235   1.946
  425    HB3  ARG  52           1HB      ARG  52  -9.695  -3.333   0.566
  426    HG2  ARG  52           2HG      ARG  52  -9.090  -5.047   1.894
  427    HG3  ARG  52           1HG      ARG  52  -7.685  -4.145   2.464
  428    HD2  ARG  52           2HD      ARG  52  -8.971  -4.560   4.433
  429    HD3  ARG  52           1HD      ARG  52  -9.365  -2.887   3.998
  430   HH11  ARG  52          1HH2      ARG  52 -11.499  -3.097   5.551
  431   HH12  ARG  52          2HH2      ARG  52 -12.364  -4.414   6.273
  432   HH21  ARG  52          2HH1      ARG  52 -11.765  -6.596   3.632
  433   HH22  ARG  52          1HH1      ARG  52 -12.513  -6.406   5.182
  434    H    MET  53           H        MET  53  -5.791  -3.671   1.501
  435    HA   MET  53           HA       MET  53  -5.772  -5.162  -1.072
  436    HB2  MET  53           2HB      MET  53  -3.497  -4.522  -1.542
  437    HB3  MET  53           1HB      MET  53  -4.398  -3.047  -1.220
  438    HG2  MET  53           2HG      MET  53  -3.285  -2.631   0.743
  439    HG3  MET  53           1HG      MET  53  -3.104  -4.340   1.127
  440    HE1  MET  53           3HE      MET  53  -1.189  -5.582  -1.615
  441    HE2  MET  53           1HE      MET  53  -1.982  -5.874  -0.061
  442    HE3  MET  53           2HE      MET  53  -0.232  -5.686  -0.138
  443    H    TRP  54           H        TRP  54  -4.654  -7.150  -0.975
  444    HA   TRP  54           HA       TRP  54  -3.354  -8.000   1.535
  445    HD1  TRP  54           HD1      TRP  54  -5.720 -11.233  -0.419
  446    HE1  TRP  54           HE1      TRP  54  -7.690 -10.919  -2.051
  447    HE3  TRP  54           HE3      TRP  54  -7.220  -6.528   0.895
  448    HZ2  TRP  54           HZ2      TRP  54  -9.641  -8.933  -2.714
  449    HZ3  TRP  54           HZ3      TRP  54  -9.131  -5.452  -0.255
  450    HH2  TRP  54           HH2      TRP  54 -10.344  -6.647  -2.055
  451    HB2  TRP  54           2HB      TRP  54  -4.976  -9.926   1.750
  452    HB3  TRP  54           1HB      TRP  54  -5.694  -8.350   2.061
  453    H    CYS  55           H        CYS  55  -2.016  -9.862   1.207
  454    HA   CYS  55           HA       CYS  55  -1.733 -10.648  -1.666
  455    HB2  CYS  55           2HB      CYS  55   0.201 -10.517   0.652
  456    HB3  CYS  55           1HB      CYS  55   0.625 -11.172  -0.925
  457    HA   PRO  56           HA       PRO  56  -3.047 -14.552   0.336
  458    HB2  PRO  56           2HB      PRO  56  -4.585 -15.418  -1.757
  459    HB3  PRO  56           1HB      PRO  56  -5.195 -14.326  -0.499
  460    HG2  PRO  56           2HG      PRO  56  -4.348 -13.728  -3.274
  461    HG3  PRO  56           1HG      PRO  56  -5.605 -12.973  -2.285
  462    HD2  PRO  56           2HD      PRO  56  -3.100 -11.903  -2.761
  463    HD3  PRO  56           1HD      PRO  56  -4.164 -11.445  -1.428
  464    H    GLY  57           H        GLY  57  -0.764 -15.153   0.030
  465    HA2  GLY  57           2HA      GLY  57  -0.085 -17.393  -1.297
  466    HA3  GLY  57           1HA      GLY  57   0.049 -16.211  -2.599
  467    H    TRP  58           H        TRP  58   1.082 -14.020  -1.285
  468    HA   TRP  58           HA       TRP  58   3.885 -14.673  -1.031
  469    HD1  TRP  58           HD1      TRP  58   5.668 -13.650  -0.007
  470    HE1  TRP  58           HE1      TRP  58   7.237 -11.808   0.885
  471    HE3  TRP  58           HE3      TRP  58   2.638  -9.577  -0.543
  472    HZ2  TRP  58           HZ2      TRP  58   7.208  -8.980   1.312
  473    HZ3  TRP  58           HZ3      TRP  58   3.432  -7.323   0.111
  474    HH2  TRP  58           HH2      TRP  58   5.709  -7.020   1.038
  475    HB2  TRP  58           2HB      TRP  58   3.083 -12.556  -1.917
  476    HB3  TRP  58           1HB      TRP  58   2.196 -12.222  -0.440
  477    H    THR  59           H        THR  59   1.571 -13.315   1.347
  478    HA   THR  59           HA       THR  59   2.772 -14.946   3.499
  479    HB   THR  59           HB       THR  59   4.185 -12.910   3.269
  480    HG1  THR  59           HG1      THR  59   4.272 -13.220   5.328
  481   HG21  THR  59          3HG2      THR  59   1.756 -11.301   4.058
  482   HG22  THR  59          1HG2      THR  59   2.205 -11.534   2.369
  483   HG23  THR  59          2HG2      THR  59   3.312 -10.716   3.471
  484    H    ALA  60           H        ALA  60   1.588 -13.634   5.653
  485    HA   ALA  60           HA       ALA  60  -1.336 -13.767   4.993
  486    HB1  ALA  60           3HB      ALA  60   0.330 -14.736   7.324
  487    HB2  ALA  60           1HB      ALA  60  -0.754 -15.671   6.294
  488    HB3  ALA  60           2HB      ALA  60  -1.416 -14.535   7.470
  489    H    ILE  61           H        ILE  61  -0.344 -11.307   4.660
  490    HA   ILE  61           HA       ILE  61  -1.079  -9.832   7.163
  491    HB   ILE  61           HB       ILE  61   1.233  -9.524   5.241
  492   HG12  ILE  61          2HG1      ILE  61   1.149  -9.309   8.261
  493   HG13  ILE  61          1HG1      ILE  61   1.342 -10.851   7.427
  494   HG21  ILE  61          1HG2      ILE  61   0.039  -7.401   7.044
  495   HG22  ILE  61          2HG2      ILE  61   0.338  -7.294   5.309
  496   HG23  ILE  61          3HG2      ILE  61   1.692  -7.327   6.437
  497   HD11  ILE  61          3HD1      ILE  61   3.557 -10.075   7.917
  498   HD12  ILE  61          1HD1      ILE  61   3.188  -8.454   7.329
  499   HD13  ILE  61          2HD1      ILE  61   3.308  -9.799   6.193
  500    H    ARG  62           H        ARG  62  -2.016  -7.682   6.714
  501    HA   ARG  62           HA       ARG  62  -2.998  -7.308   3.924
  502    HE   ARG  62           HE       ARG  62  -6.259  -5.588   6.362
  503    HB2  ARG  62           2HB      ARG  62  -5.216  -6.698   5.009
  504    HB3  ARG  62           1HB      ARG  62  -4.781  -8.399   5.086
  505    HG2  ARG  62           2HG      ARG  62  -4.046  -8.180   7.380
  506    HG3  ARG  62           1HG      ARG  62  -4.207  -6.425   7.313
  507    HD2  ARG  62           2HD      ARG  62  -6.553  -8.304   6.886
  508    HD3  ARG  62           1HD      ARG  62  -6.141  -7.605   8.464
  509   HH11  ARG  62          2HH1      ARG  62  -8.698  -7.655   7.220
  510   HH12  ARG  62          1HH1      ARG  62  -9.734  -6.463   7.931
  511   HH21  ARG  62          1HH2      ARG  62  -7.336  -3.951   7.871
  512   HH22  ARG  62          2HH2      ARG  62  -8.962  -4.363   8.300
  513    H    GLY  63           H        GLY  63  -4.019  -5.071   3.706
  514    HA2  GLY  63           2HA      GLY  63  -3.166  -3.016   5.604
  515    HA3  GLY  63           1HA      GLY  63  -2.241  -3.002   4.103
  516    H    GLU  64           H        GLU  64  -4.666  -1.424   5.484
  517    HA   GLU  64           HA       GLU  64  -5.933  -0.775   2.882
  518    HB2  GLU  64           2HB      GLU  64  -8.169  -1.056   3.925
  519    HB3  GLU  64           1HB      GLU  64  -7.269  -2.567   3.888
  520    HG2  GLU  64           2HG      GLU  64  -7.201  -2.701   6.150
  521    HG3  GLU  64           1HG      GLU  64  -6.777  -0.999   6.322
  522    H    ALA  65           H        ALA  65  -7.023   1.311   2.918
  523    HA   ALA  65           HA       ALA  65  -6.872   2.961   5.358
  524    HB1  ALA  65           3HB      ALA  65  -5.347   4.599   4.229
  525    HB2  ALA  65           1HB      ALA  65  -5.161   3.453   2.902
  526    HB3  ALA  65           2HB      ALA  65  -4.584   3.036   4.515
  527    H    SER  66           H        SER  66  -8.013   5.002   5.090
  528    HA   SER  66           HA       SER  66  -9.560   5.265   2.540
  529    HG   SER  66           HG       SER  66 -10.492   3.265   4.099
  530    HB2  SER  66           2HB      SER  66 -10.837   5.863   5.179
  531    HB3  SER  66           1HB      SER  66 -11.577   5.284   3.693
  532    H    THR  67           H        THR  67 -10.006   7.398   1.922
  533    HA   THR  67           HA       THR  67  -9.687   9.705   3.639
  534    HB   THR  67           HB       THR  67  -7.326   8.938   3.422
  535    HG1  THR  67           HG1      THR  67  -7.356  11.210   1.836
  536   HG21  THR  67          3HG2      THR  67  -7.769   9.438   0.463
  537   HG22  THR  67          1HG2      THR  67  -7.511   7.866   1.217
  538   HG23  THR  67          2HG2      THR  67  -6.219   9.065   1.217
  539    H    ARG  68           H        ARG  68 -10.262  11.664   2.486
  540    HA   ARG  68           HA       ARG  68 -12.095  11.404   0.342
  541    HE   ARG  68           HE       ARG  68 -15.290  14.761   0.587
  542    HB2  ARG  68           2HB      ARG  68 -10.944  13.440   1.984
  543    HB3  ARG  68           1HB      ARG  68 -10.885  14.001   0.314
  544    HG2  ARG  68           2HG      ARG  68 -13.415  12.785   0.622
  545    HG3  ARG  68           1HG      ARG  68 -13.173  13.765   2.069
  546    HD2  ARG  68           2HD      ARG  68 -12.984  15.763   0.841
  547    HD3  ARG  68           1HD      ARG  68 -12.564  14.911  -0.658
  548   HH11  ARG  68          1HH2      ARG  68 -14.364  16.599  -1.790
  549   HH12  ARG  68          2HH2      ARG  68 -15.065  15.729  -3.114
  550   HH21  ARG  68          2HH1      ARG  68 -15.666  12.854  -1.251
  551   HH22  ARG  68          1HH1      ARG  68 -15.811  13.606  -2.807
  552    H    SER  69           H        SER  69  -8.585  11.764   0.233
  553    HA   SER  69           HA       SER  69  -8.324  12.656  -2.479
  554    HG   SER  69           HG       SER  69  -5.712  11.672   0.314
  555    HB2  SER  69           2HB      SER  69  -6.115  11.028  -1.838
  556    HB3  SER  69           1HB      SER  69  -6.233  12.771  -1.646
  557    H    GLN  70           H        GLN  70  -8.492  11.553  -4.385
  558    HA   GLN  70           HA       GLN  70  -9.589   8.880  -4.479
  559    HB2  GLN  70           2HB      GLN  70  -8.579  10.939  -6.423
  560    HB3  GLN  70           1HB      GLN  70  -8.949   9.317  -7.005
  561    HG2  GLN  70           2HG      GLN  70 -11.103   9.970  -7.141
  562    HG3  GLN  70           1HG      GLN  70 -11.125   9.969  -5.378
  563   HE21  GLN  70          1HE2      GLN  70 -11.309  11.998  -4.325
  564   HE22  GLN  70          2HE2      GLN  70 -11.300  13.486  -5.141
  565    H    SER  71           H        SER  71  -6.410  10.170  -5.542
  566    HA   SER  71           HA       SER  71  -5.314   7.480  -5.923
  567    HG   SER  71           HG       SER  71  -4.479   8.932  -8.266
  568    HB2  SER  71           2HB      SER  71  -4.028  10.229  -5.896
  569    HB3  SER  71           1HB      SER  71  -3.293   8.759  -6.529
  570    H    GLY  72           H        GLY  72  -5.308   9.948  -3.408
  571    HA2  GLY  72           2HA      GLY  72  -3.075   9.054  -1.885
  572    HA3  GLY  72           1HA      GLY  72  -4.450   9.942  -1.231
  573    H    VAL  73           H        VAL  73  -6.531   8.101  -1.727
  574    HA   VAL  73           HA       VAL  73  -6.331   6.348   0.502
  575    HB   VAL  73           HB       VAL  73  -8.336   7.249  -0.998
  576   HG11  VAL  73          1HG1      VAL  73  -7.836   4.476  -2.121
  577   HG12  VAL  73          2HG1      VAL  73  -7.719   5.990  -3.019
  578   HG13  VAL  73          3HG1      VAL  73  -9.280   5.446  -2.406
  579   HG21  VAL  73          3HG2      VAL  73  -8.359   5.906   1.183
  580   HG22  VAL  73          1HG2      VAL  73  -8.546   4.472   0.174
  581   HG23  VAL  73          2HG2      VAL  73  -9.775   5.736   0.145
  582    H    ALA  74           H        ALA  74  -5.608   5.784  -2.929
  583    HA   ALA  74           HA       ALA  74  -5.171   2.932  -2.658
  584    HB1  ALA  74           3HB      ALA  74  -4.477   5.072  -4.678
  585    HB2  ALA  74           1HB      ALA  74  -5.671   3.781  -4.823
  586    HB3  ALA  74           2HB      ALA  74  -3.949   3.404  -4.899
  587    H    GLY  75           H        GLY  75  -3.027   5.785  -2.676
  588    HA2  GLY  75           2HA      GLY  75  -0.584   4.303  -2.376
  589    HA3  GLY  75           1HA      GLY  75  -0.787   6.016  -2.007
  590    H    LYS  76           H        LYS  76  -2.897   5.723  -0.080
  591    HA   LYS  76           HA       LYS  76  -1.390   5.239   2.314
  592    HB2  LYS  76           2HB      LYS  76  -4.190   5.861   1.509
  593    HB3  LYS  76           1HB      LYS  76  -3.972   5.185   3.121
  594    HG2  LYS  76           2HG      LYS  76  -1.938   7.120   2.817
  595    HG3  LYS  76           1HG      LYS  76  -3.413   7.863   2.200
  596    HD2  LYS  76           2HD      LYS  76  -4.508   7.723   4.241
  597    HD3  LYS  76           1HD      LYS  76  -3.552   6.341   4.778
  598    HE2  LYS  76           2HE      LYS  76  -2.242   9.033   4.361
  599    HE3  LYS  76           1HE      LYS  76  -3.058   8.644   5.887
  600    HZ1  LYS  76           3HZ      LYS  76  -0.811   7.196   4.602
  601    HZ2  LYS  76           1HZ      LYS  76  -1.755   6.492   5.823
  602    HZ3  LYS  76           2HZ      LYS  76  -0.854   7.895   6.149
  603    H    THR  77           H        THR  77  -3.782   3.261   0.530
  604    HA   THR  77           HA       THR  77  -3.993   1.102   2.388
  605    HB   THR  77           HB       THR  77  -4.196   1.303  -0.638
  606    HG1  THR  77           HG1      THR  77  -5.874   2.364   0.127
  607   HG21  THR  77          3HG2      THR  77  -3.827  -1.014  -0.220
  608   HG22  THR  77          1HG2      THR  77  -5.573  -0.834  -0.377
  609   HG23  THR  77          2HG2      THR  77  -4.843  -0.991   1.220
  610    H    ALA  78           H        ALA  78  -1.745   1.660  -0.325
  611    HA   ALA  78           HA       ALA  78  -0.282  -0.808  -0.013
  612    HB1  ALA  78           3HB      ALA  78  -0.302   0.507  -2.077
  613    HB2  ALA  78           1HB      ALA  78   1.352   0.415  -1.473
  614    HB3  ALA  78           2HB      ALA  78   0.407   1.885  -1.236
  615    H    LYS  79           H        LYS  79   0.116   2.483   1.288
  616    HA   LYS  79           HA       LYS  79   2.677   2.095   2.534
  617    HB2  LYS  79           2HB      LYS  79   1.182   4.212   2.042
  618    HB3  LYS  79           1HB      LYS  79   0.509   3.873   3.636
  619    HG2  LYS  79           2HG      LYS  79   3.464   3.798   3.497
  620    HG3  LYS  79           1HG      LYS  79   2.747   5.385   3.212
  621    HD2  LYS  79           2HD      LYS  79   1.506   5.245   5.313
  622    HD3  LYS  79           1HD      LYS  79   2.109   3.610   5.587
  623    HE2  LYS  79           2HE      LYS  79   4.415   5.174   5.129
  624    HE3  LYS  79           1HE      LYS  79   3.392   6.135   6.215
  625    HZ1  LYS  79           3HZ      LYS  79   3.058   4.116   7.561
  626    HZ2  LYS  79           1HZ      LYS  79   4.685   4.594   7.517
  627    HZ3  LYS  79           2HZ      LYS  79   4.159   3.283   6.570
  628    H    ASP  80           H        ASP  80  -0.668   1.608   3.678
  629    HA   ASP  80           HA       ASP  80  -0.087   0.958   6.396
  630    HB2  ASP  80           2HB      ASP  80  -2.291   0.700   4.449
  631    HB3  ASP  80           1HB      ASP  80  -2.318  -0.523   5.719
  632    H    PHE  81           H        PHE  81  -0.250  -1.084   3.471
  633    HA   PHE  81           HA       PHE  81   0.197  -3.583   4.866
  634    HD1  PHE  81           HD2      PHE  81   2.486  -4.957   2.687
  635    HD2  PHE  81           HD1      PHE  81  -1.800  -5.181   2.558
  636    HE1  PHE  81           HE2      PHE  81   2.620  -7.429   2.542
  637    HE2  PHE  81           HE1      PHE  81  -1.665  -7.652   2.412
  638    HZ   PHE  81           HZ       PHE  81   0.543  -8.776   2.406
  639    HB2  PHE  81           2HB      PHE  81  -0.762  -3.083   2.507
  640    HB3  PHE  81           1HB      PHE  81   0.921  -2.962   1.995
  641    H    VAL  82           H        VAL  82   2.360  -1.220   3.281
  642    HA   VAL  82           HA       VAL  82   4.752  -2.828   3.606
  643    HB   VAL  82           HB       VAL  82   4.313   0.147   3.157
  644   HG11  VAL  82          1HG1      VAL  82   6.759  -1.554   3.354
  645   HG12  VAL  82          2HG1      VAL  82   6.542   0.150   3.751
  646   HG13  VAL  82          3HG1      VAL  82   6.723  -0.347   2.068
  647   HG21  VAL  82          3HG2      VAL  82   4.148  -0.322   0.922
  648   HG22  VAL  82          1HG2      VAL  82   3.630  -1.906   1.498
  649   HG23  VAL  82          2HG2      VAL  82   5.306  -1.649   1.014
  650    H    ARG  83           H        ARG  83   3.107  -0.379   5.593
  651    HA   ARG  83           HA       ARG  83   5.250  -0.022   7.511
  652    HE   ARG  83           HE       ARG  83   3.392   2.587  11.504
  653    HB2  ARG  83           2HB      ARG  83   3.176   1.422   7.043
  654    HB3  ARG  83           1HB      ARG  83   2.263   0.236   7.970
  655    HG2  ARG  83           2HG      ARG  83   4.689   1.066   9.366
  656    HG3  ARG  83           1HG      ARG  83   3.633   2.434   9.014
  657    HD2  ARG  83           2HD      ARG  83   1.784   0.635   9.877
  658    HD3  ARG  83           1HD      ARG  83   3.187   0.133  10.840
  659   HH11  ARG  83          1HH2      ARG  83   0.632   0.844  11.913
  660   HH12  ARG  83          2HH2      ARG  83  -0.459   2.186  12.008
  661   HH21  ARG  83          2HH1      ARG  83   1.899   4.522  10.975
  662   HH22  ARG  83          1HH1      ARG  83   0.261   4.273  11.481
  663    H    LYS  84           H        LYS  84   2.411  -2.186   7.349
  664    HA   LYS  84           HA       LYS  84   2.941  -3.451   9.916
  665    HB2  LYS  84           2HB      LYS  84   0.811  -3.278   8.276
  666    HB3  LYS  84           1HB      LYS  84   1.447  -4.827   7.720
  667    HG2  LYS  84           2HG      LYS  84   0.716  -5.877   9.578
  668    HG3  LYS  84           1HG      LYS  84   1.474  -4.679  10.622
  669    HD2  LYS  84           2HD      LYS  84  -0.902  -4.599  11.040
  670    HD3  LYS  84           1HD      LYS  84  -0.472  -3.144  10.142
  671    HE2  LYS  84           2HE      LYS  84  -2.391  -3.916   8.994
  672    HE3  LYS  84           1HE      LYS  84  -1.067  -4.595   8.025
  673    HZ1  LYS  84           3HZ      LYS  84  -2.600  -5.953  10.178
  674    HZ2  LYS  84           1HZ      LYS  84  -1.178  -6.586   9.502
  675    HZ3  LYS  84           2HZ      LYS  84  -2.554  -6.367   8.533
  676    H    ALA  85           H        ALA  85   3.767  -4.123   6.522
  677    HA   ALA  85           HA       ALA  85   4.963  -6.714   6.971
  678    HB1  ALA  85           3HB      ALA  85   5.444  -4.608   4.831
  679    HB2  ALA  85           1HB      ALA  85   4.184  -5.841   4.777
  680    HB3  ALA  85           2HB      ALA  85   5.883  -6.311   4.706
  681    H    PHE  86           H        PHE  86   6.187  -3.363   7.000
  682    HA   PHE  86           HA       PHE  86   8.983  -3.928   7.214
  683    HD1  PHE  86           HD1      PHE  86  10.838  -2.284   7.959
  684    HD2  PHE  86           HD2      PHE  86   7.752  -0.592   5.493
  685    HE1  PHE  86           HE1      PHE  86  12.560  -1.400   6.408
  686    HE2  PHE  86           HE2      PHE  86   9.474   0.289   3.944
  687    HZ   PHE  86           HZ       PHE  86  11.878  -0.115   4.401
  688    HB2  PHE  86           2HB      PHE  86   7.157  -1.698   7.446
  689    HB3  PHE  86           1HB      PHE  86   8.314  -1.630   8.766
  690    H    GLN  87           H        GLN  87   6.444  -3.530   9.701
  691    HA   GLN  87           HA       GLN  87   8.175  -3.897  11.979
  692    HB2  GLN  87           2HB      GLN  87   5.208  -4.147  11.444
  693    HB3  GLN  87           1HB      GLN  87   5.885  -4.397  13.054
  694    HG2  GLN  87           2HG      GLN  87   6.970  -2.124  12.861
  695    HG3  GLN  87           1HG      GLN  87   6.056  -1.882  11.372
  696   HE21  GLN  87          1HE2      GLN  87   5.784  -2.092  14.888
  697   HE22  GLN  87          2HE2      GLN  87   4.160  -1.606  14.971
  698    H    LYS  88           H        LYS  88   6.248  -6.157  10.003
  699    HA   LYS  88           HA       LYS  88   6.690  -8.464  11.702
  700    HB2  LYS  88           2HB      LYS  88   5.651  -7.880   8.948
  701    HB3  LYS  88           1HB      LYS  88   6.018  -9.553   9.369
  702    HG2  LYS  88           2HG      LYS  88   4.338  -7.826  11.186
  703    HG3  LYS  88           1HG      LYS  88   3.616  -8.699   9.833
  704    HD2  LYS  88           2HD      LYS  88   5.437 -10.289  11.554
  705    HD3  LYS  88           1HD      LYS  88   3.931  -9.776  12.313
  706    HE2  LYS  88           2HE      LYS  88   3.529 -10.789   9.581
  707    HE3  LYS  88           1HE      LYS  88   4.200 -12.005  10.683
  708    HZ1  LYS  88           3HZ      LYS  88   2.493 -11.455  12.297
  709    HZ2  LYS  88           1HZ      LYS  88   1.772 -11.914  10.832
  710    HZ3  LYS  88           2HZ      LYS  88   1.849 -10.271  11.260
  711    H    GLY  89           H        GLY  89   8.102  -7.502   8.545
  712    HA2  GLY  89           2HA      GLY  89  10.660  -7.698   8.525
  713    HA3  GLY  89           1HA      GLY  89  10.374  -9.339   9.096
  714    H    LEU  90           H        LEU  90   8.900  -7.328   6.522
  715    HA   LEU  90           HA       LEU  90   9.508  -9.540   4.598
  716    HG   LEU  90           HG       LEU  90   7.326 -10.386   6.068
  717    HB2  LEU  90           2HB      LEU  90   6.981  -8.087   5.283
  718    HB3  LEU  90           1HB      LEU  90   7.210  -8.604   3.613
  719   HD11  LEU  90          1HD1      LEU  90   5.265 -11.308   5.298
  720   HD12  LEU  90          2HD1      LEU  90   5.388 -10.478   3.747
  721   HD13  LEU  90          3HD1      LEU  90   5.060  -9.559   5.216
  722   HD21  LEU  90          3HD2      LEU  90   7.298 -12.147   4.099
  723   HD22  LEU  90          1HD2      LEU  90   8.824 -11.418   4.600
  724   HD23  LEU  90          2HD2      LEU  90   7.988 -10.819   3.166
  725    H    ILE  91           H        ILE  91   8.534  -6.086   4.801
  726    HA   ILE  91           HA       ILE  91   9.825  -5.574   2.185
  727    HB   ILE  91           HB       ILE  91   8.109  -3.936   4.082
  728   HG12  ILE  91          2HG1      ILE  91   6.976  -5.777   2.837
  729   HG13  ILE  91          1HG1      ILE  91   6.404  -4.186   2.337
  730   HG21  ILE  91          1HG2      ILE  91   9.594  -3.189   1.591
  731   HG22  ILE  91          2HG2      ILE  91   9.272  -2.229   3.035
  732   HG23  ILE  91          3HG2      ILE  91   7.994  -2.493   1.849
  733   HD11  ILE  91          3HD1      ILE  91   8.048  -4.272   0.432
  734   HD12  ILE  91          1HD1      ILE  91   6.789  -5.504   0.342
  735   HD13  ILE  91          2HD1      ILE  91   8.409  -5.938   0.887
  736    H    SER  92           H        SER  92  12.063  -5.752   2.808
  737    HA   SER  92           HA       SER  92  13.154  -4.203   5.034
  738    HG   SER  92           HG       SER  92  14.258  -7.282   4.297
  739    HB2  SER  92           2HB      SER  92  14.874  -5.196   2.810
  740    HB3  SER  92           1HB      SER  92  15.083  -5.373   4.548
  741    H    GLN  93           H        GLN  93  14.989  -2.589   4.534
  742    HA   GLN  93           HA       GLN  93  13.988  -0.402   2.972
  743    HB2  GLN  93           2HB      GLN  93  16.280  -1.087   4.661
  744    HB3  GLN  93           1HB      GLN  93  16.729  -0.007   3.342
  745    HG2  GLN  93           2HG      GLN  93  15.667   1.740   4.294
  746    HG3  GLN  93           1HG      GLN  93  14.206   0.791   4.559
  747   HE21  GLN  93          1HE2      GLN  93  13.754   1.152   6.765
  748   HE22  GLN  93          2HE2      GLN  93  14.865   0.882   8.020
  749    H    GLN  94           H        GLN  94  16.830  -2.520   2.369
  750    HA   GLN  94           HA       GLN  94  17.304  -1.490  -0.287
  751    HB2  GLN  94           2HB      GLN  94  18.278  -3.643   1.498
  752    HB3  GLN  94           1HB      GLN  94  18.491  -3.950  -0.226
  753    HG2  GLN  94           2HG      GLN  94  19.471  -1.585  -0.374
  754    HG3  GLN  94           1HG      GLN  94  19.538  -1.620   1.389
  755   HE21  GLN  94          1HE2      GLN  94  20.606  -3.549  -1.471
  756   HE22  GLN  94          2HE2      GLN  94  22.016  -4.134  -0.726
  757    H    GLU  95           H        GLU  95  15.475  -4.285   0.953
  758    HA   GLU  95           HA       GLU  95  14.952  -5.558  -1.559
  759    HB2  GLU  95           2HB      GLU  95  14.165  -5.733   1.212
  760    HB3  GLU  95           1HB      GLU  95  12.735  -5.883   0.193
  761    HG2  GLU  95           2HG      GLU  95  14.725  -7.420  -1.078
  762    HG3  GLU  95           1HG      GLU  95  14.857  -7.801   0.639
  763    H    ALA  96           H        ALA  96  13.132  -3.048   0.237
  764    HA   ALA  96           HA       ALA  96  10.954  -2.850  -1.638
  765    HB1  ALA  96           3HB      ALA  96  10.382  -0.927  -0.341
  766    HB2  ALA  96           1HB      ALA  96  12.065  -0.636   0.100
  767    HB3  ALA  96           2HB      ALA  96  11.195  -2.007   0.793
  768    H    ASN  97           H        ASN  97  14.106  -1.240  -1.350
  769    HA   ASN  97           HA       ASN  97  13.777   0.713  -3.419
  770    HB2  ASN  97           2HB      ASN  97  15.560   0.566  -1.630
  771    HB3  ASN  97           1HB      ASN  97  16.286  -0.755  -2.543
  772   HD21  ASN  97          1HD2      ASN  97  18.234   0.570  -2.939
  773   HD22  ASN  97          2HD2      ASN  97  18.201   1.836  -4.068
  774    H    GLN  98           H        GLN  98  14.970  -2.661  -3.487
  775    HA   GLN  98           HA       GLN  98  15.700  -2.697  -6.268
  776    HB2  GLN  98           2HB      GLN  98  15.640  -4.445  -4.026
  777    HB3  GLN  98           1HB      GLN  98  14.725  -5.245  -5.304
  778    HG2  GLN  98           2HG      GLN  98  16.552  -5.427  -6.695
  779    HG3  GLN  98           1HG      GLN  98  17.303  -3.957  -6.075
  780   HE21  GLN  98          1HE2      GLN  98  16.766  -7.414  -5.337
  781   HE22  GLN  98          2HE2      GLN  98  18.017  -7.528  -4.195
  782    H    TRP  99           H        TRP  99  12.659  -3.479  -4.559
  783    HA   TRP  99           HA       TRP  99  11.191  -4.313  -6.904
  784    HD1  TRP  99           HD1      TRP  99   9.279  -6.036  -6.616
  785    HE1  TRP  99           HE1      TRP  99   6.781  -5.854  -7.233
  786    HE3  TRP  99           HE3      TRP  99   8.096  -1.658  -4.256
  787    HZ2  TRP  99           HZ2      TRP  99   4.578  -4.086  -6.781
  788    HZ3  TRP  99           HZ3      TRP  99   5.794  -0.759  -4.365
  789    HH2  TRP  99           HH2      TRP  99   4.035  -1.964  -5.625
  790    HB2  TRP  99           2HB      TRP  99  10.618  -4.736  -4.479
  791    HB3  TRP  99           1HB      TRP  99  10.181  -3.034  -4.339
  792    H    LEU 100           H        LEU 100  11.734  -1.209  -5.296
  793    HA   LEU 100           HA       LEU 100   9.869   0.419  -6.694
  794    HG   LEU 100           HG       LEU 100  11.239   2.920  -6.956
  795    HB2  LEU 100           2HB      LEU 100  11.356   0.931  -4.667
  796    HB3  LEU 100           1HB      LEU 100  12.661   1.216  -5.819
  797   HD11  LEU 100          1HD1      LEU 100   9.012   2.567  -6.547
  798   HD12  LEU 100          2HD1      LEU 100   9.315   3.655  -5.193
  799   HD13  LEU 100          3HD1      LEU 100   9.305   1.910  -4.937
  800   HD21  LEU 100          3HD2      LEU 100  12.841   3.672  -5.284
  801   HD22  LEU 100          1HD2      LEU 100  11.716   3.289  -3.981
  802   HD23  LEU 100          2HD2      LEU 100  11.357   4.607  -5.097
  803    H    SER 101           H        SER 101  13.247  -0.452  -7.507
  804    HA   SER 101           HA       SER 101  13.204   1.052 -10.013
  805    HG   SER 101           HG       SER 101  15.395  -1.954  -9.601
  806    HB2  SER 101           2HB      SER 101  15.442   0.062 -10.265
  807    HB3  SER 101           1HB      SER 101  15.229   0.652  -8.622
  808    H    SER 102           HN       SER 102  13.170  -2.414  -9.135
  809    HA   SER 102           HA       SER 102  11.452  -3.081 -11.400
  810    HG   SER 102           HG       SER 102  14.715  -4.378 -10.562
  811    HB2  SER 102           2HB      SER 102  13.301  -4.647 -12.327
  812    HB3  SER 102           1HB      SER 102  13.456  -2.927 -12.664
  Start of MODEL   12
    1    HA   GLU   1           HA       GLU   1  20.068  14.424   2.412
    2    H1   GLU   1           1H       GLU   1  18.785  16.440   2.446
    3    H2   GLU   1           2H       GLU   1  17.849  15.891   3.755
    4    H3   GLU   1           3H       GLU   1  17.711  15.144   2.236
    5    HB2  GLU   1           2HB      GLU   1  19.646  16.042   4.891
    6    HB3  GLU   1           1HB      GLU   1  20.701  14.634   5.019
    7    HG2  GLU   1           2HG      GLU   1  22.263  16.191   4.342
    8    HG3  GLU   1           1HG      GLU   1  21.706  15.656   2.757
    9    H    ALA   2           H        ALA   2  19.965  12.214   2.644
   10    HA   ALA   2           HA       ALA   2  18.240  11.057   4.798
   11    HB1  ALA   2           3HB      ALA   2  17.445   9.448   2.946
   12    HB2  ALA   2           1HB      ALA   2  18.126  10.610   1.807
   13    HB3  ALA   2           2HB      ALA   2  16.817  11.095   2.885
   14    H    TYR   3           H        TYR   3  19.389   9.495   5.869
   15    HA   TYR   3           HA       TYR   3  21.189   7.663   4.416
   16    HD1  TYR   3           HD2      TYR   3  23.594   8.297   3.332
   17    HD2  TYR   3           HD1      TYR   3  23.726   7.773   7.595
   18    HE1  TYR   3           HE2      TYR   3  25.567   6.817   3.088
   19    HE2  TYR   3           HE1      TYR   3  25.700   6.292   7.349
   20    HH   TYR   3           HH       TYR   3  26.546   4.725   5.056
   21    HB2  TYR   3           2HB      TYR   3  22.414   9.858   4.936
   22    HB3  TYR   3           1HB      TYR   3  22.286   9.409   6.637
   23    H    VAL   4           H        VAL   4  20.634   8.825   7.779
   24    HA   VAL   4           HA       VAL   4  20.435   5.980   8.660
   25    HB   VAL   4           HB       VAL   4  22.044   7.662   9.683
   26   HG11  VAL   4          1HG1      VAL   4  20.308   9.542   9.612
   27   HG12  VAL   4          2HG1      VAL   4  21.221   9.388  11.113
   28   HG13  VAL   4          3HG1      VAL   4  19.569   8.778  11.019
   29   HG21  VAL   4          3HG2      VAL   4  21.538   5.685  10.937
   30   HG22  VAL   4          1HG2      VAL   4  19.943   6.293  11.380
   31   HG23  VAL   4          2HG2      VAL   4  21.391   7.033  12.063
   32    H    GLN   5           H        GLN   5  18.560   8.969   8.423
   33    HA   GLN   5           HA       GLN   5  16.212   7.551   9.644
   34    HB2  GLN   5           2HB      GLN   5  17.381   9.776  10.555
   35    HB3  GLN   5           1HB      GLN   5  16.364  10.526   9.324
   36    HG2  GLN   5           2HG      GLN   5  14.385   9.360  10.302
   37    HG3  GLN   5           1HG      GLN   5  15.423   8.732  11.582
   38   HE21  GLN   5          1HE2      GLN   5  15.166   9.963  13.453
   39   HE22  GLN   5          2HE2      GLN   5  14.961  11.648  13.490
   40    H    GLY   6           H        GLY   6  14.328   7.444   8.405
   41    HA2  GLY   6           2HA      GLY   6  13.127   8.878   6.534
   42    HA3  GLY   6           1HA      GLY   6  14.531   8.383   5.593
   43    H    TRP   7           H        TRP   7  12.263   6.748   7.827
   44    HA   TRP   7           HA       TRP   7  12.318   4.321   6.152
   45    HD1  TRP   7           HD1      TRP   7  14.121   5.386   8.497
   46    HE1  TRP   7           HE1      TRP   7  15.797   3.652   9.399
   47    HE3  TRP   7           HE3      TRP   7  11.054   1.317   8.888
   48    HZ2  TRP   7           HZ2      TRP   7  15.833   0.903  10.188
   49    HZ3  TRP   7           HZ3      TRP   7  11.937  -0.843   9.720
   50    HH2  TRP   7           HH2      TRP   7  14.320  -1.055  10.369
   51    HB2  TRP   7           2HB      TRP   7  11.171   5.153   8.815
   52    HB3  TRP   7           1HB      TRP   7  10.683   3.630   8.073
   53    H    GLU   8           H        GLU   8  10.013   6.874   7.071
   54    HA   GLU   8           HA       GLU   8   7.674   5.764   5.866
   55    HB2  GLU   8           2HB      GLU   8   8.622   8.585   6.440
   56    HB3  GLU   8           1HB      GLU   8   6.993   8.224   5.874
   57    HG2  GLU   8           2HG      GLU   8   8.286   7.223   8.426
   58    HG3  GLU   8           1HG      GLU   8   6.947   8.361   8.299
   59    H    ALA   9           H        ALA   9  10.292   7.779   4.541
   60    HA   ALA   9           HA       ALA   9   9.133   8.320   1.989
   61    HB1  ALA   9           3HB      ALA   9  12.060   7.885   2.650
   62    HB2  ALA   9           1HB      ALA   9  11.182   9.348   3.096
   63    HB3  ALA   9           2HB      ALA   9  11.395   8.932   1.396
   64    H    VAL  10           H        VAL  10  11.127   5.604   3.162
   65    HA   VAL  10           HA       VAL  10  11.333   4.244   0.625
   66    HB   VAL  10           HB       VAL  10  11.438   3.228   3.492
   67   HG11  VAL  10          1HG1      VAL  10  11.158   1.416   1.834
   68   HG12  VAL  10          2HG1      VAL  10  12.766   1.377   2.554
   69   HG13  VAL  10          3HG1      VAL  10  12.543   2.031   0.931
   70   HG21  VAL  10          3HG2      VAL  10  13.432   4.267   3.644
   71   HG22  VAL  10          1HG2      VAL  10  13.160   4.988   2.059
   72   HG23  VAL  10          2HG2      VAL  10  13.994   3.442   2.191
   73    H    ALA  11           H        ALA  11   9.069   4.006   3.367
   74    HA   ALA  11           HA       ALA  11   7.475   1.854   2.320
   75    HB1  ALA  11           3HB      ALA  11   5.772   2.971   3.940
   76    HB2  ALA  11           1HB      ALA  11   7.074   4.106   4.298
   77    HB3  ALA  11           2HB      ALA  11   7.286   2.386   4.629
   78    H    ALA  12           H        ALA  12   7.286   5.400   2.025
   79    HA   ALA  12           HA       ALA  12   4.824   5.550   0.567
   80    HB1  ALA  12           3HB      ALA  12   7.244   7.364   0.353
   81    HB2  ALA  12           1HB      ALA  12   6.154   7.386   1.739
   82    HB3  ALA  12           2HB      ALA  12   5.553   7.811   0.136
   83    H    ALA  13           H        ALA  13   8.220   5.186  -0.461
   84    HA   ALA  13           HA       ALA  13   7.811   5.415  -3.276
   85    HB1  ALA  13           3HB      ALA  13   9.836   3.728  -1.774
   86    HB2  ALA  13           1HB      ALA  13   9.978   5.473  -1.986
   87    HB3  ALA  13           2HB      ALA  13  10.024   4.407  -3.391
   88    H    VAL  14           H        VAL  14   7.658   2.599  -1.085
   89    HA   VAL  14           HA       VAL  14   7.227   0.649  -3.177
   90    HB   VAL  14           HB       VAL  14   6.478   0.623  -0.228
   91   HG11  VAL  14          1HG1      VAL  14   5.384  -1.191  -1.395
   92   HG12  VAL  14          2HG1      VAL  14   6.762  -1.866  -0.525
   93   HG13  VAL  14          3HG1      VAL  14   6.865  -1.591  -2.264
   94   HG21  VAL  14          3HG2      VAL  14   9.016   0.864  -1.371
   95   HG22  VAL  14          1HG2      VAL  14   8.862  -0.861  -1.040
   96   HG23  VAL  14          2HG2      VAL  14   8.666   0.307   0.266
   97    H    ALA  15           H        ALA  15   5.077   2.579  -1.099
   98    HA   ALA  15           HA       ALA  15   2.601   1.410  -1.978
   99    HB1  ALA  15           3HB      ALA  15   2.748   2.685   0.069
  100    HB2  ALA  15           1HB      ALA  15   1.703   3.590  -1.025
  101    HB3  ALA  15           2HB      ALA  15   3.378   4.089  -0.791
  102    H    SER  16           H        SER  16   4.531   4.189  -3.134
  103    HA   SER  16           HA       SER  16   2.636   5.116  -5.087
  104    HG   SER  16           HG       SER  16   6.491   5.178  -4.603
  105    HB2  SER  16           2HB      SER  16   4.426   6.510  -5.778
  106    HB3  SER  16           1HB      SER  16   4.745   6.226  -4.071
  107    H    LYS  17           H        LYS  17   5.232   2.678  -5.196
  108    HA   LYS  17           HA       LYS  17   5.178   2.225  -8.032
  109    HB2  LYS  17           2HB      LYS  17   6.807   1.501  -6.064
  110    HB3  LYS  17           1HB      LYS  17   5.792   0.060  -6.043
  111    HG2  LYS  17           2HG      LYS  17   7.364  -0.589  -7.616
  112    HG3  LYS  17           1HG      LYS  17   6.174   0.170  -8.672
  113    HD2  LYS  17           2HD      LYS  17   7.627   2.349  -8.022
  114    HD3  LYS  17           1HD      LYS  17   8.880   1.116  -7.880
  115    HE2  LYS  17           2HE      LYS  17   8.016   0.288 -10.202
  116    HE3  LYS  17           1HE      LYS  17   7.280   1.899 -10.315
  117    HZ1  LYS  17           3HZ      LYS  17   9.449   2.863  -9.742
  118    HZ2  LYS  17           1HZ      LYS  17   9.525   1.968 -11.181
  119    HZ3  LYS  17           2HZ      LYS  17  10.144   1.310  -9.742
  120    H    ILE  18           H        ILE  18   3.299   0.890  -5.324
  121    HA   ILE  18           HA       ILE  18   1.973  -1.198  -6.784
  122    HB   ILE  18           HB       ILE  18   1.516   0.372  -4.252
  123   HG12  ILE  18          2HG1      ILE  18   2.014  -2.538  -4.948
  124   HG13  ILE  18          1HG1      ILE  18   3.135  -1.428  -4.162
  125   HG21  ILE  18          1HG2      ILE  18  -0.415  -1.597  -5.517
  126   HG22  ILE  18          2HG2      ILE  18  -0.744   0.075  -5.063
  127   HG23  ILE  18          3HG2      ILE  18  -0.466  -1.138  -3.815
  128   HD11  ILE  18          3HD1      ILE  18   1.897  -1.411  -2.152
  129   HD12  ILE  18          1HD1      ILE  18   1.831  -3.098  -2.662
  130   HD13  ILE  18          2HD1      ILE  18   0.447  -2.041  -2.933
  131    H    VAL  19           H        VAL  19   1.031   2.173  -6.015
  132    HA   VAL  19           HA       VAL  19  -1.482   2.146  -7.396
  133    HB   VAL  19           HB       VAL  19   0.492   4.276  -6.543
  134   HG11  VAL  19          1HG1      VAL  19  -1.616   5.798  -6.945
  135   HG12  VAL  19          2HG1      VAL  19  -2.059   4.550  -8.112
  136   HG13  VAL  19          3HG1      VAL  19  -0.542   5.430  -8.294
  137   HG21  VAL  19          3HG2      VAL  19  -2.216   3.325  -5.562
  138   HG22  VAL  19          1HG2      VAL  19  -1.433   4.789  -4.965
  139   HG23  VAL  19          2HG2      VAL  19  -0.672   3.217  -4.717
  140    H    GLY  20           H        GLY  20   1.822   3.000  -8.448
  141    HA2  GLY  20           2HA      GLY  20   1.062   3.920 -11.074
  142    HA3  GLY  20           1HA      GLY  20   2.686   3.437 -10.587
  143    H    LEU  21           H        LEU  21   1.591   0.730  -9.713
  144    HA   LEU  21           HA       LEU  21   1.304  -0.463 -12.447
  145    HG   LEU  21           HG       LEU  21   1.959  -2.799 -12.471
  146    HB2  LEU  21           2HB      LEU  21   3.467  -0.678 -11.005
  147    HB3  LEU  21           1HB      LEU  21   2.524  -1.815 -10.046
  148   HD11  LEU  21          1HD1      LEU  21   3.374  -0.968 -13.525
  149   HD12  LEU  21          2HD1      LEU  21   3.803  -2.611 -13.999
  150   HD13  LEU  21          3HD1      LEU  21   4.781  -1.754 -12.809
  151   HD21  LEU  21          3HD2      LEU  21   2.890  -4.238 -10.847
  152   HD22  LEU  21          1HD2      LEU  21   4.353  -3.264 -10.695
  153   HD23  LEU  21          2HD2      LEU  21   4.093  -4.246 -12.137
  154    H    TRP  22           H        TRP  22  -0.893   0.306 -10.526
  155    HA   TRP  22           HA       TRP  22  -1.890  -2.309  -9.551
  156    HD1  TRP  22           HD1      TRP  22  -3.620  -3.078  -8.265
  157    HE1  TRP  22           HE1      TRP  22  -6.074  -3.202  -7.482
  158    HE3  TRP  22           HE3      TRP  22  -4.895   1.859  -8.565
  159    HZ2  TRP  22           HZ2      TRP  22  -8.280  -1.443  -7.036
  160    HZ3  TRP  22           HZ3      TRP  22  -7.178   2.605  -7.953
  161    HH2  TRP  22           HH2      TRP  22  -8.870   0.962  -7.191
  162    HB2  TRP  22           2HB      TRP  22  -2.047  -0.359  -8.096
  163    HB3  TRP  22           1HB      TRP  22  -2.881   0.556  -9.350
  164    H    ARG  23           H        ARG  23  -3.543  -3.421 -10.550
  165    HA   ARG  23           HA       ARG  23  -4.586  -2.371 -13.136
  166    HE   ARG  23           HE       ARG  23  -4.312  -4.089 -16.858
  167    HB2  ARG  23           2HB      ARG  23  -3.491  -4.750 -12.402
  168    HB3  ARG  23           1HB      ARG  23  -5.194  -5.113 -12.138
  169    HG2  ARG  23           2HG      ARG  23  -4.918  -5.693 -14.390
  170    HG3  ARG  23           1HG      ARG  23  -5.510  -4.036 -14.514
  171    HD2  ARG  23           2HD      ARG  23  -3.238  -3.188 -14.799
  172    HD3  ARG  23           1HD      ARG  23  -2.568  -4.810 -14.530
  173   HH11  ARG  23          1HH2      ARG  23  -4.288  -6.986 -16.319
  174   HH12  ARG  23          2HH2      ARG  23  -2.935  -7.546 -17.243
  175   HH21  ARG  23          2HH1      ARG  23  -1.540  -4.383 -17.603
  176   HH22  ARG  23          1HH1      ARG  23  -1.373  -6.067 -17.973
  177    H    ASN  24           H        ASN  24  -7.027  -3.676 -13.292
  178    HA   ASN  24           HA       ASN  24  -8.897  -2.044 -12.024
  179    HB2  ASN  24           2HB      ASN  24  -8.822  -4.696 -13.305
  180    HB3  ASN  24           1HB      ASN  24 -10.165  -4.503 -12.178
  181   HD21  ASN  24          1HD2      ASN  24  -8.546  -2.394 -14.651
  182   HD22  ASN  24          2HD2      ASN  24 -10.001  -1.857 -15.339
  183    H    GLU  25           H        GLU  25  -7.551  -5.118 -10.777
  184    HA   GLU  25           HA       GLU  25  -7.998  -4.242  -8.012
  185    HB2  GLU  25           2HB      GLU  25  -9.481  -6.188  -7.498
  186    HB3  GLU  25           1HB      GLU  25 -10.213  -5.070  -8.644
  187    HG2  GLU  25           2HG      GLU  25 -10.594  -6.955  -9.871
  188    HG3  GLU  25           1HG      GLU  25  -8.913  -6.756 -10.354
  189    H    LYS  26           H        LYS  26  -5.695  -5.100  -9.673
  190    HA   LYS  26           HA       LYS  26  -4.732  -7.326  -7.928
  191    HB2  LYS  26           2HB      LYS  26  -5.606  -8.179 -10.106
  192    HB3  LYS  26           1HB      LYS  26  -4.448  -7.148 -10.945
  193    HG2  LYS  26           2HG      LYS  26  -3.187  -8.790  -8.869
  194    HG3  LYS  26           1HG      LYS  26  -3.977  -9.758 -10.114
  195    HD2  LYS  26           2HD      LYS  26  -2.796  -8.170 -11.797
  196    HD3  LYS  26           1HD      LYS  26  -1.771  -7.727 -10.432
  197    HE2  LYS  26           2HE      LYS  26  -1.146 -10.100 -10.117
  198    HE3  LYS  26           1HE      LYS  26  -2.172 -10.549 -11.493
  199    HZ1  LYS  26           3HZ      LYS  26  -0.902  -9.027 -12.889
  200    HZ2  LYS  26           1HZ      LYS  26   0.117 -10.199 -12.205
  201    HZ3  LYS  26           2HZ      LYS  26   0.095  -8.622 -11.572
  202    H    THR  27           H        THR  27  -2.477  -7.245  -7.518
  203    HA   THR  27           HA       THR  27  -0.782  -5.269  -8.910
  204    HB   THR  27           HB       THR  27  -2.025  -3.980  -7.188
  205    HG1  THR  27           HG1      THR  27   0.088  -3.352  -7.587
  206   HG21  THR  27          3HG2      THR  27  -1.442  -4.519  -4.760
  207   HG22  THR  27          1HG2      THR  27  -0.859  -6.076  -5.346
  208   HG23  THR  27          2HG2      THR  27  -2.554  -5.635  -5.551
  209    H    GLU  28           H        GLU  28   1.526  -5.517  -8.190
  210    HA   GLU  28           HA       GLU  28   2.025  -8.282  -7.140
  211    HB2  GLU  28           2HB      GLU  28   3.530  -6.439  -9.021
  212    HB3  GLU  28           1HB      GLU  28   4.215  -7.941  -8.403
  213    HG2  GLU  28           2HG      GLU  28   3.189  -9.015 -10.099
  214    HG3  GLU  28           1HG      GLU  28   1.652  -8.639  -9.323
  215    H    LEU  29           H        LEU  29   3.764  -8.541  -5.608
  216    HA   LEU  29           HA       LEU  29   4.992  -6.077  -4.482
  217    HG   LEU  29           HG       LEU  29   2.902  -5.283  -3.893
  218    HB2  LEU  29           2HB      LEU  29   2.954  -7.844  -3.233
  219    HB3  LEU  29           1HB      LEU  29   4.284  -7.336  -2.193
  220   HD11  LEU  29          1HD1      LEU  29   0.975  -6.196  -2.896
  221   HD12  LEU  29          2HD1      LEU  29   1.439  -4.915  -1.776
  222   HD13  LEU  29          3HD1      LEU  29   1.824  -6.594  -1.403
  223   HD21  LEU  29          3HD2      LEU  29   3.783  -3.780  -2.334
  224   HD22  LEU  29          1HD2      LEU  29   5.023  -5.033  -2.347
  225   HD23  LEU  29          2HD2      LEU  29   3.831  -4.986  -1.048
  226    H    LEU  30           H        LEU  30   7.146  -6.546  -4.403
  227    HA   LEU  30           HA       LEU  30   9.164  -7.733  -4.172
  228    HG   LEU  30           HG       LEU  30  10.378  -9.069  -2.598
  229    HB2  LEU  30           2HB      LEU  30   7.594  -8.074  -1.952
  230    HB3  LEU  30           1HB      LEU  30   7.916  -9.747  -2.405
  231   HD11  LEU  30          1HD1      LEU  30   9.513  -6.763  -0.843
  232   HD12  LEU  30          2HD1      LEU  30   9.733  -6.578  -2.583
  233   HD13  LEU  30          3HD1      LEU  30  11.096  -7.048  -1.568
  234   HD21  LEU  30          3HD2      LEU  30   9.114 -10.233  -0.614
  235   HD22  LEU  30          1HD2      LEU  30   9.362  -8.694   0.210
  236   HD23  LEU  30          2HD2      LEU  30  10.749  -9.626  -0.354
  237    H    GLY  31           H        GLY  31   7.293  -8.607  -6.321
  238    HA2  GLY  31           2HA      GLY  31   7.484 -10.261  -7.998
  239    HA3  GLY  31           1HA      GLY  31   8.598 -11.143  -6.957
  240    H    HIS  32           H        HIS  32   5.525 -10.174  -5.607
  241    HA   HIS  32           HA       HIS  32   4.549 -12.994  -5.867
  242    HD1  HIS  32           HD1      HIS  32   5.931 -14.367  -4.635
  243    HD2  HIS  32           HD2      HIS  32   6.663 -11.168  -2.062
  244    HE1  HIS  32           HE1      HIS  32   8.197 -14.791  -3.589
  245    HB2  HIS  32           2HB      HIS  32   4.352 -11.049  -3.545
  246    HB3  HIS  32           1HB      HIS  32   3.709 -12.685  -3.562
  247    H    GLU  33           H        GLU  33   2.288 -13.221  -6.194
  248    HA   GLU  33           HA       GLU  33   0.920 -10.953  -7.415
  249    HB2  GLU  33           2HB      GLU  33   0.826 -13.512  -7.918
  250    HB3  GLU  33           1HB      GLU  33  -0.329 -13.577  -6.587
  251    HG2  GLU  33           2HG      GLU  33  -1.936 -12.956  -8.038
  252    HG3  GLU  33           1HG      GLU  33  -1.137 -11.390  -8.172
  253    H    CYS  34           H        CYS  34  -0.509  -9.570  -6.443
  254    HA   CYS  34           HA       CYS  34  -1.613 -10.270  -3.753
  255    HB2  CYS  34           2HB      CYS  34  -0.242  -7.728  -4.666
  256    HB3  CYS  34           1HB      CYS  34  -1.136  -7.860  -3.155
  257    H    LYS  35           H        LYS  35  -3.536  -8.878  -3.222
  258    HA   LYS  35           HA       LYS  35  -4.990  -8.047  -5.711
  259    HB2  LYS  35           2HB      LYS  35  -5.605 -10.115  -4.153
  260    HB3  LYS  35           1HB      LYS  35  -6.379  -8.857  -3.192
  261    HG2  LYS  35           2HG      LYS  35  -8.085  -9.539  -4.669
  262    HG3  LYS  35           1HG      LYS  35  -7.436  -8.089  -5.435
  263    HD2  LYS  35           2HD      LYS  35  -6.788  -9.258  -7.250
  264    HD3  LYS  35           1HD      LYS  35  -5.930 -10.431  -6.250
  265    HE2  LYS  35           2HE      LYS  35  -7.849 -11.807  -6.012
  266    HE3  LYS  35           1HE      LYS  35  -8.944 -10.510  -6.530
  267    HZ1  LYS  35           3HZ      LYS  35  -8.503 -12.076  -8.340
  268    HZ2  LYS  35           1HZ      LYS  35  -6.840 -11.760  -8.224
  269    HZ3  LYS  35           2HZ      LYS  35  -7.908 -10.525  -8.707
  270    H    PHE  36           H        PHE  36  -5.436  -5.905  -5.785
  271    HA   PHE  36           HA       PHE  36  -5.694  -4.380  -3.210
  272    HD1  PHE  36           HD1      PHE  36  -6.249  -1.458  -4.974
  273    HD2  PHE  36           HD2      PHE  36  -2.611  -2.677  -3.041
  274    HE1  PHE  36           HE1      PHE  36  -6.142   0.721  -3.801
  275    HE2  PHE  36           HE2      PHE  36  -2.507  -0.495  -1.868
  276    HZ   PHE  36           HZ       PHE  36  -4.273   1.203  -2.251
  277    HB2  PHE  36           2HB      PHE  36  -3.585  -4.083  -4.633
  278    HB3  PHE  36           1HB      PHE  36  -4.620  -3.369  -5.864
  279    H    THR  37           H        THR  37  -7.742  -3.506  -3.022
  280    HA   THR  37           HA       THR  37  -9.223  -2.827  -5.542
  281    HB   THR  37           HB       THR  37 -11.251  -3.707  -4.349
  282    HG1  THR  37           HG1      THR  37 -11.048  -4.586  -2.405
  283   HG21  THR  37          3HG2      THR  37  -9.707  -5.070  -5.903
  284   HG22  THR  37          1HG2      THR  37 -10.808  -5.972  -4.861
  285   HG23  THR  37          2HG2      THR  37  -9.105  -5.824  -4.428
  286    H    VAL  38           H        VAL  38 -10.766  -1.100  -5.339
  287    HA   VAL  38           HA       VAL  38 -10.433   0.616  -2.901
  288    HB   VAL  38           HB       VAL  38  -9.301   1.311  -5.089
  289   HG11  VAL  38          1HG1      VAL  38 -11.396   0.568  -6.430
  290   HG12  VAL  38          2HG1      VAL  38 -10.591   2.060  -6.913
  291   HG13  VAL  38          3HG1      VAL  38 -12.071   2.127  -5.958
  292   HG21  VAL  38          3HG2      VAL  38  -9.783   3.622  -4.734
  293   HG22  VAL  38          1HG2      VAL  38  -9.997   2.847  -3.165
  294   HG23  VAL  38          2HG2      VAL  38 -11.405   3.266  -4.139
  295    H    LYS  39           H        LYS  39 -12.372   1.495  -2.049
  296    HA   LYS  39           HA       LYS  39 -14.901   1.088  -3.568
  297    HB2  LYS  39           2HB      LYS  39 -13.908  -0.633  -1.547
  298    HB3  LYS  39           1HB      LYS  39 -15.229   0.277  -0.814
  299    HG2  LYS  39           2HG      LYS  39 -16.668  -0.315  -2.769
  300    HG3  LYS  39           1HG      LYS  39 -15.355  -1.318  -3.390
  301    HD2  LYS  39           2HD      LYS  39 -16.250  -2.995  -2.165
  302    HD3  LYS  39           1HD      LYS  39 -15.595  -2.161  -0.757
  303    HE2  LYS  39           2HE      LYS  39 -17.869  -2.371  -0.180
  304    HE3  LYS  39           1HE      LYS  39 -17.837  -0.756  -0.916
  305    HZ1  LYS  39           3HZ      LYS  39 -18.379  -1.763  -3.055
  306    HZ2  LYS  39           1HZ      LYS  39 -19.581  -2.110  -1.909
  307    HZ3  LYS  39           2HZ      LYS  39 -18.447  -3.301  -2.334
  308    HA   PRO  40           HA       PRO  40 -15.176   5.078  -1.444
  309    HB2  PRO  40           2HB      PRO  40 -16.954   6.188  -3.194
  310    HB3  PRO  40           1HB      PRO  40 -15.211   6.113  -3.515
  311    HG2  PRO  40           2HG      PRO  40 -17.407   4.447  -4.601
  312    HG3  PRO  40           1HG      PRO  40 -15.905   4.977  -5.369
  313    HD2  PRO  40           2HD      PRO  40 -16.361   2.450  -4.329
  314    HD3  PRO  40           1HD      PRO  40 -14.761   3.155  -4.643
  315    H    TYR  41           H        TYR  41 -17.036   6.158  -0.361
  316    HA   TYR  41           HA       TYR  41 -19.507   4.475  -0.190
  317    HD1  TYR  41           HD1      TYR  41 -19.326   2.505   0.767
  318    HD2  TYR  41           HD2      TYR  41 -16.093   4.502   2.767
  319    HE1  TYR  41           HE1      TYR  41 -18.095   0.357   0.921
  320    HE2  TYR  41           HE2      TYR  41 -14.864   2.356   2.919
  321    HH   TYR  41           HH       TYR  41 -16.009  -0.431   2.811
  322    HB2  TYR  41           2HB      TYR  41 -17.934   5.749   2.067
  323    HB3  TYR  41           1HB      TYR  41 -19.446   4.881   2.254
  324    H    LEU  42           H        LEU  42 -21.083   5.908   1.334
  325    HA   LEU  42           HA       LEU  42 -20.921   8.788   0.668
  326    HG   LEU  42           HG       LEU  42 -22.123   9.910  -0.550
  327    HB2  LEU  42           2HB      LEU  42 -21.995   7.177  -1.165
  328    HB3  LEU  42           1HB      LEU  42 -23.410   7.334  -0.125
  329   HD11  LEU  42          1HD1      LEU  42 -21.465   8.935  -2.704
  330   HD12  LEU  42          2HD1      LEU  42 -22.744  10.125  -2.943
  331   HD13  LEU  42          3HD1      LEU  42 -23.124   8.403  -2.986
  332   HD21  LEU  42          3HD2      LEU  42 -24.432   9.518   0.300
  333   HD22  LEU  42          1HD2      LEU  42 -24.877   8.855  -1.272
  334   HD23  LEU  42          2HD2      LEU  42 -24.418  10.552  -1.129
  335    H    LYS  43           H        LYS  43 -22.581  10.038   1.791
  336    HA   LYS  43           HA       LYS  43 -24.000   8.610   4.005
  337    HB2  LYS  43           2HB      LYS  43 -21.651   9.890   4.352
  338    HB3  LYS  43           1HB      LYS  43 -22.737  11.271   4.486
  339    HG2  LYS  43           2HG      LYS  43 -23.945   9.241   6.011
  340    HG3  LYS  43           1HG      LYS  43 -22.228   9.153   6.403
  341    HD2  LYS  43           2HD      LYS  43 -23.670  11.802   6.347
  342    HD3  LYS  43           1HD      LYS  43 -23.702  10.781   7.784
  343    HE2  LYS  43           2HE      LYS  43 -21.061  11.409   6.468
  344    HE3  LYS  43           1HE      LYS  43 -21.804  12.579   7.576
  345    HZ1  LYS  43           3HZ      LYS  43 -20.464  11.086   8.859
  346    HZ2  LYS  43           1HZ      LYS  43 -21.186   9.726   8.147
  347    HZ3  LYS  43           2HZ      LYS  43 -22.092  10.727   9.179
  348    H    ARG  44           H        ARG  44 -25.542  10.341   5.090
  349    HA   ARG  44           HA       ARG  44 -27.597  11.130   3.428
  350    HE   ARG  44           HE       ARG  44 -28.719   9.121   8.065
  351    HB2  ARG  44           2HB      ARG  44 -26.481  12.189   6.007
  352    HB3  ARG  44           1HB      ARG  44 -27.867  12.993   5.272
  353    HG2  ARG  44           2HG      ARG  44 -29.220  11.060   5.421
  354    HG3  ARG  44           1HG      ARG  44 -27.830  10.004   5.682
  355    HD2  ARG  44           2HD      ARG  44 -27.427  11.161   7.878
  356    HD3  ARG  44           1HD      ARG  44 -28.941  12.054   7.630
  357   HH11  ARG  44          2HH1      ARG  44 -30.422  10.927   9.761
  358   HH12  ARG  44          1HH1      ARG  44 -32.005  10.634   9.122
  359   HH21  ARG  44          1HH2      ARG  44 -30.839   9.163   6.197
  360   HH22  ARG  44          2HH2      ARG  44 -32.242   9.631   7.097
  361    H    PHE  45           H        PHE  45 -24.632  12.966   4.078
  362    HA   PHE  45           HA       PHE  45 -25.081  14.587   1.660
  363    HD1  PHE  45           HD1      PHE  45 -24.053  17.859   2.139
  364    HD2  PHE  45           HD2      PHE  45 -27.844  15.889   2.588
  365    HE1  PHE  45           HE1      PHE  45 -25.075  19.460   0.546
  366    HE2  PHE  45           HE2      PHE  45 -28.866  17.491   0.995
  367    HZ   PHE  45           HZ       PHE  45 -27.480  19.276  -0.026
  368    HB2  PHE  45           2HB      PHE  45 -26.010  15.456   4.139
  369    HB3  PHE  45           1HB      PHE  45 -24.459  16.281   3.974
  370    H    GLN  46           H        GLN  46 -23.059  12.643   2.302
  371    HA   GLN  46           HA       GLN  46 -20.640  14.359   2.114
  372    HB2  GLN  46           2HB      GLN  46 -21.486  12.758   4.440
  373    HB3  GLN  46           1HB      GLN  46 -19.832  12.439   3.922
  374    HG2  GLN  46           2HG      GLN  46 -19.114  14.578   4.404
  375    HG3  GLN  46           1HG      GLN  46 -20.697  15.293   4.102
  376   HE21  GLN  46          1HE2      GLN  46 -18.635  13.902   6.564
  377   HE22  GLN  46          2HE2      GLN  46 -19.723  14.088   7.855
  378    H    VAL  47           H        VAL  47 -18.844  13.255   1.171
  379    HA   VAL  47           HA       VAL  47 -19.419  10.519   0.064
  380    HB   VAL  47           HB       VAL  47 -18.066  12.960  -1.143
  381   HG11  VAL  47          1HG1      VAL  47 -17.619  11.590  -3.117
  382   HG12  VAL  47          2HG1      VAL  47 -18.347  10.185  -2.339
  383   HG13  VAL  47          3HG1      VAL  47 -16.843  10.860  -1.712
  384   HG21  VAL  47          3HG2      VAL  47 -20.497  13.014  -1.282
  385   HG22  VAL  47          1HG2      VAL  47 -20.534  11.354  -1.877
  386   HG23  VAL  47          2HG2      VAL  47 -19.851  12.635  -2.878
  387    H    TYR  48           H        TYR  48 -17.728   9.027   0.327
  388    HA   TYR  48           HA       TYR  48 -15.138  10.064   1.417
  389    HD1  TYR  48           HD2      TYR  48 -14.286  10.097   3.901
  390    HD2  TYR  48           HD1      TYR  48 -18.527   9.474   3.580
  391    HE1  TYR  48           HE2      TYR  48 -14.680  11.884   5.575
  392    HE2  TYR  48           HE1      TYR  48 -18.917  11.258   5.252
  393    HH   TYR  48           HH       TYR  48 -16.407  12.575   7.162
  394    HB2  TYR  48           2HB      TYR  48 -17.036   7.986   2.500
  395    HB3  TYR  48           1HB      TYR  48 -15.327   7.955   2.933
  396    H    TYR  49           H        TYR  49 -13.324   8.606   1.075
  397    HA   TYR  49           HA       TYR  49 -13.790   6.563  -1.069
  398    HD1  TYR  49           HD2      TYR  49 -14.299   9.387  -2.065
  399    HD2  TYR  49           HD1      TYR  49 -11.218   6.807  -3.581
  400    HE1  TYR  49           HE2      TYR  49 -15.216   9.638  -4.354
  401    HE2  TYR  49           HE1      TYR  49 -12.133   7.061  -5.871
  402    HH   TYR  49           HH       TYR  49 -15.075   8.020  -6.574
  403    HB2  TYR  49           2HB      TYR  49 -12.028   8.900  -0.829
  404    HB3  TYR  49           1HB      TYR  49 -11.179   7.440  -1.327
  405    H    LYS  50           H        LYS  50 -13.015   4.536  -0.585
  406    HA   LYS  50           HA       LYS  50 -11.021   4.264   1.637
  407    HB2  LYS  50           2HB      LYS  50 -13.553   3.815   2.087
  408    HB3  LYS  50           1HB      LYS  50 -13.286   2.336   1.167
  409    HG2  LYS  50           2HG      LYS  50 -11.125   2.507   2.970
  410    HG3  LYS  50           1HG      LYS  50 -12.559   2.932   3.904
  411    HD2  LYS  50           2HD      LYS  50 -13.655   0.862   2.819
  412    HD3  LYS  50           1HD      LYS  50 -12.019   0.396   2.357
  413    HE2  LYS  50           2HE      LYS  50 -12.247  -0.668   4.441
  414    HE3  LYS  50           1HE      LYS  50 -11.487   0.866   4.908
  415    HZ1  LYS  50           3HZ      LYS  50 -13.447   0.486   6.252
  416    HZ2  LYS  50           1HZ      LYS  50 -14.408   0.295   4.867
  417    HZ3  LYS  50           2HZ      LYS  50 -13.716   1.808   5.218
  418    H    GLY  51           H        GLY  51  -9.851   2.150   1.539
  419    HA2  GLY  51           2HA      GLY  51 -10.038   0.607  -0.939
  420    HA3  GLY  51           1HA      GLY  51  -8.566   1.563  -0.801
  421    H    ARG  52           H        ARG  52  -9.145  -1.421  -0.714
  422    HA   ARG  52           HA       ARG  52  -7.633  -2.003   1.805
  423    HE   ARG  52           HE       ARG  52 -11.808  -4.412   2.800
  424    HB2  ARG  52           2HB      ARG  52 -10.220  -2.975   0.753
  425    HB3  ARG  52           1HB      ARG  52  -9.138  -4.252   1.308
  426    HG2  ARG  52           2HG      ARG  52  -8.945  -2.249   3.261
  427    HG3  ARG  52           1HG      ARG  52 -10.662  -2.336   2.870
  428    HD2  ARG  52           2HD      ARG  52  -9.262  -4.948   3.189
  429    HD3  ARG  52           1HD      ARG  52  -9.515  -3.994   4.664
  430   HH11  ARG  52          1HH2      ARG  52 -11.901  -3.105   5.581
  431   HH12  ARG  52          2HH2      ARG  52 -12.598  -4.385   6.517
  432   HH21  ARG  52          2HH1      ARG  52 -11.994  -6.824   4.113
  433   HH22  ARG  52          1HH1      ARG  52 -12.649  -6.501   5.683
  434    H    MET  53           H        MET  53  -6.029  -3.661   1.554
  435    HA   MET  53           HA       MET  53  -5.823  -5.018  -1.075
  436    HB2  MET  53           2HB      MET  53  -3.725  -4.066  -1.618
  437    HB3  MET  53           1HB      MET  53  -4.683  -2.705  -1.048
  438    HG2  MET  53           2HG      MET  53  -2.859  -2.316   0.269
  439    HG3  MET  53           1HG      MET  53  -3.593  -3.544   1.300
  440    HE1  MET  53           3HE      MET  53   0.153  -3.139  -0.666
  441    HE2  MET  53           1HE      MET  53  -1.375  -2.405  -1.176
  442    HE3  MET  53           2HE      MET  53  -0.742  -3.812  -2.026
  443    H    TRP  54           H        TRP  54  -4.299  -6.787  -1.057
  444    HA   TRP  54           HA       TRP  54  -2.908  -7.558   1.395
  445    HD1  TRP  54           HD1      TRP  54  -4.948 -11.007  -0.400
  446    HE1  TRP  54           HE1      TRP  54  -7.000 -10.987  -1.964
  447    HE3  TRP  54           HE3      TRP  54  -7.040  -6.537   0.931
  448    HZ2  TRP  54           HZ2      TRP  54  -9.229  -9.303  -2.569
  449    HZ3  TRP  54           HZ3      TRP  54  -9.123  -5.752  -0.157
  450    HH2  TRP  54           HH2      TRP  54 -10.220  -7.127  -1.904
  451    HB2  TRP  54           2HB      TRP  54  -4.352  -9.578   1.764
  452    HB3  TRP  54           1HB      TRP  54  -5.219  -8.068   2.021
  453    H    CYS  55           H        CYS  55  -2.143  -9.997   1.080
  454    HA   CYS  55           HA       CYS  55  -1.592 -10.447  -1.829
  455    HB2  CYS  55           2HB      CYS  55   0.230 -10.480   0.568
  456    HB3  CYS  55           1HB      CYS  55   0.695 -11.209  -0.962
  457    HA   PRO  56           HA       PRO  56  -3.266 -14.343  -0.151
  458    HB2  PRO  56           2HB      PRO  56  -4.567 -15.077  -2.444
  459    HB3  PRO  56           1HB      PRO  56  -5.268 -13.969  -1.249
  460    HG2  PRO  56           2HG      PRO  56  -4.036 -13.380  -3.877
  461    HG3  PRO  56           1HG      PRO  56  -5.363 -12.564  -3.041
  462    HD2  PRO  56           2HD      PRO  56  -2.753 -11.652  -3.166
  463    HD3  PRO  56           1HD      PRO  56  -3.955 -11.139  -1.979
  464    H    GLY  57           H        GLY  57  -0.931 -14.973  -0.223
  465    HA2  GLY  57           2HA      GLY  57  -0.233 -17.277  -1.426
  466    HA3  GLY  57           1HA      GLY  57   0.062 -16.140  -2.741
  467    H    TRP  58           H        TRP  58   1.073 -13.952  -1.382
  468    HA   TRP  58           HA       TRP  58   3.815 -14.708  -0.911
  469    HD1  TRP  58           HD1      TRP  58   5.557 -13.883   0.116
  470    HE1  TRP  58           HE1      TRP  58   7.313 -12.185   0.937
  471    HE3  TRP  58           HE3      TRP  58   2.975  -9.533  -0.579
  472    HZ2  TRP  58           HZ2      TRP  58   7.589  -9.359   1.253
  473    HZ3  TRP  58           HZ3      TRP  58   4.009  -7.355  -0.011
  474    HH2  TRP  58           HH2      TRP  58   6.310  -7.263   0.901
  475    HB2  TRP  58           2HB      TRP  58   3.059 -12.544  -1.827
  476    HB3  TRP  58           1HB      TRP  58   2.250 -12.175  -0.313
  477    H    THR  59           H        THR  59   1.397 -13.280   1.322
  478    HA   THR  59           HA       THR  59   2.420 -14.962   3.528
  479    HB   THR  59           HB       THR  59   3.878 -12.951   3.415
  480    HG1  THR  59           HG1      THR  59   3.520 -13.718   5.452
  481   HG21  THR  59          3HG2      THR  59   3.064 -10.758   3.482
  482   HG22  THR  59          1HG2      THR  59   1.501 -11.254   4.129
  483   HG23  THR  59          2HG2      THR  59   1.891 -11.558   2.437
  484    H    ALA  60           H        ALA  60   1.114 -13.715   5.624
  485    HA   ALA  60           HA       ALA  60  -1.761 -13.775   4.770
  486    HB1  ALA  60           3HB      ALA  60  -1.073 -15.736   6.053
  487    HB2  ALA  60           1HB      ALA  60  -2.117 -14.735   7.064
  488    HB3  ALA  60           2HB      ALA  60  -0.370 -14.709   7.303
  489    H    ILE  61           H        ILE  61  -0.529 -11.315   4.661
  490    HA   ILE  61           HA       ILE  61  -1.486  -9.923   7.140
  491    HB   ILE  61           HB       ILE  61   0.946  -9.635   5.394
  492   HG12  ILE  61          2HG1      ILE  61   0.714  -9.173   8.364
  493   HG13  ILE  61          1HG1      ILE  61   0.738 -10.815   7.718
  494   HG21  ILE  61          1HG2      ILE  61   0.046  -7.399   5.278
  495   HG22  ILE  61          2HG2      ILE  61   1.329  -7.381   6.487
  496   HG23  ILE  61          3HG2      ILE  61  -0.360  -7.414   6.994
  497   HD11  ILE  61          3HD1      ILE  61   2.837  -8.755   7.007
  498   HD12  ILE  61          1HD1      ILE  61   2.894 -10.496   6.731
  499   HD13  ILE  61          2HD1      ILE  61   3.009  -9.859   8.372
  500    H    ARG  62           H        ARG  62  -2.649  -7.943   6.772
  501    HA   ARG  62           HA       ARG  62  -3.351  -7.386   3.920
  502    HE   ARG  62           HE       ARG  62  -6.221  -5.511   6.516
  503    HB2  ARG  62           2HB      ARG  62  -5.666  -6.852   4.916
  504    HB3  ARG  62           1HB      ARG  62  -5.215  -8.546   4.788
  505    HG2  ARG  62           2HG      ARG  62  -4.911  -8.781   7.084
  506    HG3  ARG  62           1HG      ARG  62  -4.566  -7.066   7.315
  507    HD2  ARG  62           2HD      ARG  62  -7.304  -8.027   6.441
  508    HD3  ARG  62           1HD      ARG  62  -6.862  -7.866   8.153
  509   HH11  ARG  62          1HH2      ARG  62  -6.937  -5.706   9.510
  510   HH12  ARG  62          2HH2      ARG  62  -8.472  -4.905   9.521
  511   HH21  ARG  62          2HH1      ARG  62  -8.883  -5.094   6.075
  512   HH22  ARG  62          1HH1      ARG  62  -9.581  -4.555   7.564
  513    H    GLY  63           H        GLY  63  -4.288  -5.186   3.626
  514    HA2  GLY  63           2HA      GLY  63  -3.486  -3.209   5.696
  515    HA3  GLY  63           1HA      GLY  63  -2.795  -3.040   4.084
  516    H    GLU  64           H        GLU  64  -4.591  -1.176   5.469
  517    HA   GLU  64           HA       GLU  64  -6.601  -0.891   3.317
  518    HB2  GLU  64           2HB      GLU  64  -7.796  -2.268   4.855
  519    HB3  GLU  64           1HB      GLU  64  -7.215  -1.357   6.245
  520    HG2  GLU  64           2HG      GLU  64  -8.481   0.632   5.404
  521    HG3  GLU  64           1HG      GLU  64  -9.124  -0.366   4.100
  522    H    ALA  65           H        ALA  65  -7.579   1.244   3.341
  523    HA   ALA  65           HA       ALA  65  -6.728   3.277   5.255
  524    HB1  ALA  65           3HB      ALA  65  -4.686   2.709   3.827
  525    HB2  ALA  65           1HB      ALA  65  -5.140   4.411   3.867
  526    HB3  ALA  65           2HB      ALA  65  -5.555   3.422   2.469
  527    H    SER  66           H        SER  66  -7.851   5.246   4.936
  528    HA   SER  66           HA       SER  66  -9.601   5.460   2.520
  529    HG   SER  66           HG       SER  66 -10.414   4.042   5.690
  530    HB2  SER  66           2HB      SER  66 -10.584   6.090   5.297
  531    HB3  SER  66           1HB      SER  66 -11.529   5.753   3.854
  532    H    THR  67           H        THR  67 -10.048   7.622   1.912
  533    HA   THR  67           HA       THR  67  -9.419   9.916   3.571
  534    HB   THR  67           HB       THR  67  -7.159   8.881   2.953
  535    HG1  THR  67           HG1      THR  67  -6.457  10.830   3.177
  536   HG21  THR  67          3HG2      THR  67  -7.344  10.185   0.294
  537   HG22  THR  67          1HG2      THR  67  -8.176   8.640   0.461
  538   HG23  THR  67          2HG2      THR  67  -6.447   8.750   0.786
  539    H    ARG  68           H        ARG  68  -9.471  11.984   2.148
  540    HA   ARG  68           HA       ARG  68 -11.817  11.911   0.469
  541    HE   ARG  68           HE       ARG  68  -8.364  14.524   3.049
  542    HB2  ARG  68           2HB      ARG  68 -11.381  14.296   0.247
  543    HB3  ARG  68           1HB      ARG  68 -11.031  13.807   1.901
  544    HG2  ARG  68           2HG      ARG  68  -8.599  13.575   1.206
  545    HG3  ARG  68           1HG      ARG  68  -9.042  14.346  -0.316
  546    HD2  ARG  68           2HD      ARG  68  -8.687  16.328   0.738
  547    HD3  ARG  68           1HD      ARG  68 -10.175  15.999   1.647
  548   HH11  ARG  68          1HH2      ARG  68  -6.095  16.119   2.054
  549   HH12  ARG  68          2HH2      ARG  68  -6.014  17.433   3.180
  550   HH21  ARG  68          2HH1      ARG  68  -9.226  16.916   4.409
  551   HH22  ARG  68          1HH1      ARG  68  -7.796  17.886   4.521
  552    H    SER  69           H        SER  69  -8.342  12.241  -0.289
  553    HA   SER  69           HA       SER  69  -8.669  12.626  -3.116
  554    HG   SER  69           HG       SER  69  -5.752  11.654  -0.644
  555    HB2  SER  69           2HB      SER  69  -6.188  11.379  -2.655
  556    HB3  SER  69           1HB      SER  69  -6.499  13.107  -2.732
  557    H    GLN  70           H        GLN  70  -8.823  11.164  -4.786
  558    HA   GLN  70           HA       GLN  70  -9.681   8.447  -4.240
  559    HB2  GLN  70           2HB      GLN  70 -10.553   9.776  -6.093
  560    HB3  GLN  70           1HB      GLN  70  -8.934   9.953  -6.770
  561    HG2  GLN  70           2HG      GLN  70  -8.808   7.651  -7.354
  562    HG3  GLN  70           1HG      GLN  70 -10.189   7.237  -6.338
  563   HE21  GLN  70          1HE2      GLN  70  -9.438   9.380  -9.159
  564   HE22  GLN  70          2HE2      GLN  70 -10.926   9.116  -9.932
  565    H    SER  71           H        SER  71  -6.789   9.777  -5.919
  566    HA   SER  71           HA       SER  71  -5.472   7.202  -6.134
  567    HG   SER  71           HG       SER  71  -4.667   9.470  -8.602
  568    HB2  SER  71           2HB      SER  71  -4.387  10.033  -6.273
  569    HB3  SER  71           1HB      SER  71  -3.590   8.594  -6.901
  570    H    GLY  72           H        GLY  72  -5.356   9.883  -3.818
  571    HA2  GLY  72           2HA      GLY  72  -3.053   9.084  -2.349
  572    HA3  GLY  72           1HA      GLY  72  -4.370  10.061  -1.702
  573    H    VAL  73           H        VAL  73  -6.460   8.061  -2.085
  574    HA   VAL  73           HA       VAL  73  -6.199   6.611   0.371
  575    HB   VAL  73           HB       VAL  73  -8.251   7.331  -1.181
  576   HG11  VAL  73          1HG1      VAL  73  -7.976   4.396  -1.867
  577   HG12  VAL  73          2HG1      VAL  73  -7.528   5.689  -2.977
  578   HG13  VAL  73          3HG1      VAL  73  -9.199   5.527  -2.446
  579   HG21  VAL  73          3HG2      VAL  73  -8.183   6.255   1.162
  580   HG22  VAL  73          1HG2      VAL  73  -8.452   4.724   0.327
  581   HG23  VAL  73          2HG2      VAL  73  -9.646   6.016   0.208
  582    H    ALA  74           H        ALA  74  -5.606   5.647  -3.007
  583    HA   ALA  74           HA       ALA  74  -5.155   2.849  -2.451
  584    HB1  ALA  74           3HB      ALA  74  -4.034   2.998  -4.732
  585    HB2  ALA  74           1HB      ALA  74  -4.321   4.737  -4.674
  586    HB3  ALA  74           2HB      ALA  74  -5.684   3.617  -4.681
  587    H    GLY  75           H        GLY  75  -3.034   5.701  -2.589
  588    HA2  GLY  75           2HA      GLY  75  -0.561   4.286  -2.309
  589    HA3  GLY  75           1HA      GLY  75  -0.804   5.989  -1.922
  590    H    LYS  76           H        LYS  76  -2.860   5.620   0.054
  591    HA   LYS  76           HA       LYS  76  -1.248   5.108   2.381
  592    HB2  LYS  76           2HB      LYS  76  -3.382   6.573   1.959
  593    HB3  LYS  76           1HB      LYS  76  -4.258   5.092   2.340
  594    HG2  LYS  76           2HG      LYS  76  -3.535   5.063   4.543
  595    HG3  LYS  76           1HG      LYS  76  -2.047   5.934   4.175
  596    HD2  LYS  76           2HD      LYS  76  -4.043   7.752   3.501
  597    HD3  LYS  76           1HD      LYS  76  -4.660   6.984   4.964
  598    HE2  LYS  76           2HE      LYS  76  -1.777   7.804   4.948
  599    HE3  LYS  76           1HE      LYS  76  -3.004   9.074   5.123
  600    HZ1  LYS  76           3HZ      LYS  76  -3.972   7.950   6.955
  601    HZ2  LYS  76           1HZ      LYS  76  -2.304   7.994   7.258
  602    HZ3  LYS  76           2HZ      LYS  76  -3.027   6.558   6.706
  603    H    THR  77           H        THR  77  -3.763   3.168   0.700
  604    HA   THR  77           HA       THR  77  -3.876   1.027   2.592
  605    HB   THR  77           HB       THR  77  -4.221   0.986  -0.427
  606    HG1  THR  77           HG1      THR  77  -6.161   1.412   1.596
  607   HG21  THR  77          3HG2      THR  77  -5.801  -0.715   1.451
  608   HG22  THR  77          1HG2      THR  77  -4.142  -1.193   1.098
  609   HG23  THR  77          2HG2      THR  77  -5.312  -1.035  -0.211
  610    H    ALA  78           H        ALA  78  -1.724   1.617  -0.176
  611    HA   ALA  78           HA       ALA  78  -0.335  -0.933   0.083
  612    HB1  ALA  78           3HB      ALA  78  -0.437   0.121  -2.067
  613    HB2  ALA  78           1HB      ALA  78   1.236   0.292  -1.535
  614    HB3  ALA  78           2HB      ALA  78   0.128   1.658  -1.411
  615    H    LYS  79           H        LYS  79   0.209   2.410   1.179
  616    HA   LYS  79           HA       LYS  79   2.883   1.987   2.188
  617    HB2  LYS  79           2HB      LYS  79   1.358   4.133   1.681
  618    HB3  LYS  79           1HB      LYS  79   1.017   3.984   3.405
  619    HG2  LYS  79           2HG      LYS  79   3.456   3.983   3.872
  620    HG3  LYS  79           1HG      LYS  79   3.773   4.186   2.148
  621    HD2  LYS  79           2HD      LYS  79   2.171   6.116   3.855
  622    HD3  LYS  79           1HD      LYS  79   3.851   6.349   3.375
  623    HE2  LYS  79           2HE      LYS  79   2.757   5.875   0.935
  624    HE3  LYS  79           1HE      LYS  79   1.372   6.626   1.751
  625    HZ1  LYS  79           3HZ      LYS  79   4.099   7.761   1.965
  626    HZ2  LYS  79           1HZ      LYS  79   2.615   8.513   2.291
  627    HZ3  LYS  79           2HZ      LYS  79   3.064   8.184   0.686
  628    H    ASP  80           H        ASP  80  -0.369   1.748   3.650
  629    HA   ASP  80           HA       ASP  80   0.541   1.248   6.344
  630    HB2  ASP  80           2HB      ASP  80  -1.982   0.916   4.748
  631    HB3  ASP  80           1HB      ASP  80  -1.882   0.134   6.324
  632    H    PHE  81           H        PHE  81  -0.091  -0.834   3.536
  633    HA   PHE  81           HA       PHE  81   0.103  -3.360   4.921
  634    HD1  PHE  81           HD2      PHE  81   2.475  -4.359   2.004
  635    HD2  PHE  81           HD1      PHE  81  -1.597  -5.250   3.041
  636    HE1  PHE  81           HE2      PHE  81   2.907  -6.771   1.629
  637    HE2  PHE  81           HE1      PHE  81  -1.164  -7.662   2.664
  638    HZ   PHE  81           HZ       PHE  81   1.087  -8.422   1.957
  639    HB2  PHE  81           2HB      PHE  81  -0.916  -2.983   2.678
  640    HB3  PHE  81           1HB      PHE  81   0.680  -2.597   2.034
  641    H    VAL  82           H        VAL  82   2.486  -1.306   3.216
  642    HA   VAL  82           HA       VAL  82   4.708  -3.121   3.500
  643    HB   VAL  82           HB       VAL  82   4.553  -0.100   3.180
  644   HG11  VAL  82          1HG1      VAL  82   6.888  -0.905   1.989
  645   HG12  VAL  82          2HG1      VAL  82   6.820  -1.991   3.377
  646   HG13  VAL  82          3HG1      VAL  82   6.786  -0.245   3.622
  647   HG21  VAL  82          3HG2      VAL  82   3.707  -2.079   1.446
  648   HG22  VAL  82          1HG2      VAL  82   5.361  -1.789   0.907
  649   HG23  VAL  82          2HG2      VAL  82   4.205  -0.459   0.962
  650    H    ARG  83           H        ARG  83   3.393  -0.518   5.541
  651    HA   ARG  83           HA       ARG  83   5.515  -0.411   7.471
  652    HE   ARG  83           HE       ARG  83   5.341   3.965   8.583
  653    HB2  ARG  83           2HB      ARG  83   3.047   0.813   6.964
  654    HB3  ARG  83           1HB      ARG  83   2.816   0.013   8.519
  655    HG2  ARG  83           2HG      ARG  83   4.596   1.203   9.527
  656    HG3  ARG  83           1HG      ARG  83   5.269   1.685   7.968
  657    HD2  ARG  83           2HD      ARG  83   3.160   3.032   7.565
  658    HD3  ARG  83           1HD      ARG  83   2.707   2.698   9.248
  659   HH11  ARG  83          2HH1      ARG  83   4.452   3.231  11.420
  660   HH12  ARG  83          1HH1      ARG  83   3.919   4.769  12.008
  661   HH21  ARG  83          1HH2      ARG  83   3.766   6.214   8.848
  662   HH22  ARG  83          2HH2      ARG  83   3.526   6.466  10.546
  663    H    LYS  84           H        LYS  84   2.540  -2.386   7.277
  664    HA   LYS  84           HA       LYS  84   2.893  -3.739   9.802
  665    HB2  LYS  84           2HB      LYS  84   1.201  -3.846   7.405
  666    HB3  LYS  84           1HB      LYS  84   1.502  -5.445   8.086
  667    HG2  LYS  84           2HG      LYS  84  -0.454  -4.600   9.183
  668    HG3  LYS  84           1HG      LYS  84   0.865  -4.477  10.349
  669    HD2  LYS  84           2HD      LYS  84   1.189  -2.095   9.679
  670    HD3  LYS  84           1HD      LYS  84  -0.208  -2.233   8.611
  671    HE2  LYS  84           2HE      LYS  84  -0.569  -3.065  11.467
  672    HE3  LYS  84           1HE      LYS  84  -0.496  -1.328  11.108
  673    HZ1  LYS  84           3HZ      LYS  84  -2.765  -2.267  10.894
  674    HZ2  LYS  84           1HZ      LYS  84  -2.207  -3.273   9.646
  675    HZ3  LYS  84           2HZ      LYS  84  -2.188  -1.583   9.450
  676    H    ALA  85           H        ALA  85   3.895  -4.469   6.464
  677    HA   ALA  85           HA       ALA  85   5.045  -7.053   7.023
  678    HB1  ALA  85           3HB      ALA  85   4.358  -6.188   4.787
  679    HB2  ALA  85           1HB      ALA  85   6.036  -6.730   4.788
  680    HB3  ALA  85           2HB      ALA  85   5.665  -5.008   4.863
  681    H    PHE  86           H        PHE  86   6.294  -3.728   7.078
  682    HA   PHE  86           HA       PHE  86   9.083  -4.366   7.413
  683    HD1  PHE  86           HD2      PHE  86  10.802  -2.888   8.635
  684    HD2  PHE  86           HD1      PHE  86   8.610  -0.928   5.503
  685    HE1  PHE  86           HE2      PHE  86  12.933  -2.148   7.606
  686    HE2  PHE  86           HE1      PHE  86  10.742  -0.185   4.477
  687    HZ   PHE  86           HZ       PHE  86  12.902  -0.794   5.529
  688    HB2  PHE  86           2HB      PHE  86   7.445  -2.105   7.128
  689    HB3  PHE  86           1HB      PHE  86   8.155  -1.921   8.728
  690    H    GLN  87           H        GLN  87   6.372  -3.932   9.678
  691    HA   GLN  87           HA       GLN  87   7.836  -3.891  12.130
  692    HB2  GLN  87           2HB      GLN  87   5.212  -3.735  11.284
  693    HB3  GLN  87           1HB      GLN  87   5.235  -5.284  12.127
  694    HG2  GLN  87           2HG      GLN  87   6.266  -4.161  14.098
  695    HG3  GLN  87           1HG      GLN  87   6.134  -2.616  13.257
  696   HE21  GLN  87          1HE2      GLN  87   4.102  -1.549  13.321
  697   HE22  GLN  87          2HE2      GLN  87   2.707  -2.223  14.015
  698    H    LYS  88           H        LYS  88   6.566  -6.613  10.194
  699    HA   LYS  88           HA       LYS  88   7.498  -8.627  12.115
  700    HB2  LYS  88           2HB      LYS  88   5.473  -8.967  10.792
  701    HB3  LYS  88           1HB      LYS  88   6.378  -8.748   9.294
  702    HG2  LYS  88           2HG      LYS  88   7.159 -10.874   9.321
  703    HG3  LYS  88           1HG      LYS  88   7.527 -10.806  11.044
  704    HD2  LYS  88           2HD      LYS  88   4.830 -10.839  11.175
  705    HD3  LYS  88           1HD      LYS  88   5.057 -11.731   9.670
  706    HE2  LYS  88           2HE      LYS  88   6.484 -12.407  12.272
  707    HE3  LYS  88           1HE      LYS  88   5.030 -13.237  11.681
  708    HZ1  LYS  88           3HZ      LYS  88   6.945 -14.428  10.903
  709    HZ2  LYS  88           1HZ      LYS  88   7.647 -13.015  10.283
  710    HZ3  LYS  88           2HZ      LYS  88   6.238 -13.646   9.571
  711    H    GLY  89           H        GLY  89   8.308  -7.961   8.681
  712    HA2  GLY  89           2HA      GLY  89  10.909  -7.605   8.479
  713    HA3  GLY  89           1HA      GLY  89  10.942  -9.245   9.114
  714    H    LEU  90           H        LEU  90   8.880  -7.659   6.644
  715    HA   LEU  90           HA       LEU  90   9.597  -9.900   4.791
  716    HG   LEU  90           HG       LEU  90   7.375 -10.709   6.257
  717    HB2  LEU  90           2HB      LEU  90   7.091  -8.428   5.465
  718    HB3  LEU  90           1HB      LEU  90   7.287  -8.944   3.792
  719   HD11  LEU  90          1HD1      LEU  90   5.117 -10.052   5.496
  720   HD12  LEU  90          2HD1      LEU  90   5.409 -11.767   5.205
  721   HD13  LEU  90          3HD1      LEU  90   5.501 -10.619   3.870
  722   HD21  LEU  90          3HD2      LEU  90   8.942 -11.750   4.869
  723   HD22  LEU  90          1HD2      LEU  90   8.161 -11.183   3.392
  724   HD23  LEU  90          2HD2      LEU  90   7.445 -12.502   4.321
  725    H    ILE  91           H        ILE  91   8.749  -6.414   4.876
  726    HA   ILE  91           HA       ILE  91  10.109  -6.084   2.239
  727    HB   ILE  91           HB       ILE  91   8.130  -4.369   3.783
  728   HG12  ILE  91          2HG1      ILE  91   7.749  -5.812   1.146
  729   HG13  ILE  91          1HG1      ILE  91   7.343  -6.552   2.695
  730   HG21  ILE  91          1HG2      ILE  91   9.268  -3.990   0.993
  731   HG22  ILE  91          2HG2      ILE  91   9.684  -3.011   2.400
  732   HG23  ILE  91          3HG2      ILE  91   8.042  -2.978   1.758
  733   HD11  ILE  91          3HD1      ILE  91   5.305  -5.586   2.124
  734   HD12  ILE  91          1HD1      ILE  91   6.065  -4.211   1.324
  735   HD13  ILE  91          2HD1      ILE  91   6.029  -4.297   3.085
  736    H    SER  92           H        SER  92  12.283  -6.014   3.105
  737    HA   SER  92           HA       SER  92  13.066  -4.232   5.255
  738    HG   SER  92           HG       SER  92  14.686  -7.262   4.066
  739    HB2  SER  92           2HB      SER  92  14.714  -5.426   3.000
  740    HB3  SER  92           1HB      SER  92  15.316  -4.877   4.560
  741    H    GLN  93           H        GLN  93  14.554  -2.345   4.884
  742    HA   GLN  93           HA       GLN  93  13.447  -0.381   3.139
  743    HB2  GLN  93           2HB      GLN  93  14.800  -0.019   5.223
  744    HB3  GLN  93           1HB      GLN  93  16.234  -0.535   4.337
  745    HG2  GLN  93           2HG      GLN  93  14.595   1.602   3.072
  746    HG3  GLN  93           1HG      GLN  93  15.494   2.054   4.520
  747   HE21  GLN  93          1HE2      GLN  93  15.817   2.100   1.242
  748   HE22  GLN  93          2HE2      GLN  93  17.497   1.899   1.108
  749    H    GLN  94           H        GLN  94  16.511  -2.222   2.832
  750    HA   GLN  94           HA       GLN  94  17.234  -1.217   0.243
  751    HB2  GLN  94           2HB      GLN  94  18.259  -2.919   2.227
  752    HB3  GLN  94           1HB      GLN  94  18.098  -3.947   0.805
  753    HG2  GLN  94           2HG      GLN  94  19.856  -2.957  -0.197
  754    HG3  GLN  94           1HG      GLN  94  19.177  -1.352   0.078
  755   HE21  GLN  94          1HE2      GLN  94  20.655  -0.105   1.237
  756   HE22  GLN  94          2HE2      GLN  94  21.616  -0.671   2.517
  757    H    GLU  95           H        GLU  95  15.420  -4.130   1.245
  758    HA   GLU  95           HA       GLU  95  15.110  -5.338  -1.313
  759    HB2  GLU  95           2HB      GLU  95  13.922  -5.450   1.371
  760    HB3  GLU  95           1HB      GLU  95  12.786  -5.891   0.099
  761    HG2  GLU  95           2HG      GLU  95  13.748  -7.950   0.309
  762    HG3  GLU  95           1HG      GLU  95  14.995  -7.252  -0.723
  763    H    ALA  96           H        ALA  96  13.125  -2.869   0.341
  764    HA   ALA  96           HA       ALA  96  11.040  -2.691  -1.605
  765    HB1  ALA  96           3HB      ALA  96  11.178  -0.192  -0.557
  766    HB2  ALA  96           1HB      ALA  96  12.179  -1.057   0.609
  767    HB3  ALA  96           2HB      ALA  96  10.512  -1.561   0.334
  768    H    ASN  97           H        ASN  97  14.166  -0.975  -1.329
  769    HA   ASN  97           HA       ASN  97  13.822   0.759  -3.591
  770    HB2  ASN  97           2HB      ASN  97  15.558   1.201  -2.004
  771    HB3  ASN  97           1HB      ASN  97  16.203  -0.435  -2.149
  772   HD21  ASN  97          1HD2      ASN  97  17.967  -0.643  -3.554
  773   HD22  ASN  97          2HD2      ASN  97  18.353   0.453  -4.791
  774    H    GLN  98           H        GLN  98  15.223  -2.517  -3.272
  775    HA   GLN  98           HA       GLN  98  16.086  -2.834  -5.978
  776    HB2  GLN  98           2HB      GLN  98  15.806  -4.376  -3.572
  777    HB3  GLN  98           1HB      GLN  98  15.137  -5.315  -4.906
  778    HG2  GLN  98           2HG      GLN  98  17.766  -3.925  -5.296
  779    HG3  GLN  98           1HG      GLN  98  17.725  -5.424  -4.369
  780   HE21  GLN  98          1HE2      GLN  98  16.593  -4.094  -7.533
  781   HE22  GLN  98          2HE2      GLN  98  16.757  -5.561  -8.370
  782    H    TRP  99           H        TRP  99  12.951  -3.477  -4.408
  783    HA   TRP  99           HA       TRP  99  11.638  -4.649  -6.685
  784    HD1  TRP  99           HD1      TRP  99   9.723  -6.177  -6.502
  785    HE1  TRP  99           HE1      TRP  99   7.231  -6.089  -7.162
  786    HE3  TRP  99           HE3      TRP  99   8.360  -1.806  -4.247
  787    HZ2  TRP  99           HZ2      TRP  99   4.964  -4.396  -6.778
  788    HZ3  TRP  99           HZ3      TRP  99   6.035  -0.988  -4.399
  789    HH2  TRP  99           HH2      TRP  99   4.332  -2.271  -5.660
  790    HB2  TRP  99           2HB      TRP  99  10.924  -4.729  -4.277
  791    HB3  TRP  99           1HB      TRP  99  10.502  -3.022  -4.382
  792    H    LEU 100           H        LEU 100  11.990  -1.312  -5.526
  793    HA   LEU 100           HA       LEU 100  10.225  -0.043  -7.405
  794    HG   LEU 100           HG       LEU 100   9.953   0.435  -5.097
  795    HB2  LEU 100           2HB      LEU 100  12.564   0.790  -5.693
  796    HB3  LEU 100           1HB      LEU 100  11.857   1.937  -6.826
  797   HD11  LEU 100          1HD1      LEU 100  11.447   2.820  -3.998
  798   HD12  LEU 100          2HD1      LEU 100  11.959   1.167  -3.655
  799   HD13  LEU 100          3HD1      LEU 100  10.365   1.720  -3.145
  800   HD21  LEU 100          3HD2      LEU 100   8.636   2.045  -5.967
  801   HD22  LEU 100          1HD2      LEU 100  10.029   2.785  -6.755
  802   HD23  LEU 100          2HD2      LEU 100   9.586   3.260  -5.114
  803    H    SER 101           H        SER 101  13.711  -0.813  -7.539
  804    HA   SER 101           HA       SER 101  14.098   0.476 -10.129
  805    HG   SER 101           HG       SER 101  16.796   0.915  -8.473
  806    HB2  SER 101           2HB      SER 101  15.779  -1.458  -8.505
  807    HB3  SER 101           1HB      SER 101  16.351  -0.561  -9.908
  808    H    SER 102           HN       SER 102  14.083  -2.930  -9.007
  809    HA   SER 102           HA       SER 102  13.621  -4.935 -10.131
  810    HG   SER 102           HG       SER 102  12.702  -2.477 -12.571
  811    HB2  SER 102           2HB      SER 102  11.669  -4.822 -11.359
  812    HB3  SER 102           1HB      SER 102  11.626  -3.219 -10.638
  Start of MODEL   13
    1    HA   GLU   1           HA       GLU   1  17.889  21.363   2.242
    2    H1   GLU   1           1H       GLU   1  16.099  23.633   1.572
    3    H2   GLU   1           2H       GLU   1  16.967  22.629   0.512
    4    H3   GLU   1           3H       GLU   1  17.787  23.770   1.467
    5    HB2  GLU   1           2HB      GLU   1  17.563  22.210   4.625
    6    HB3  GLU   1           1HB      GLU   1  18.615  23.200   3.618
    7    HG2  GLU   1           2HG      GLU   1  17.135  24.952   3.558
    8    HG3  GLU   1           1HG      GLU   1  15.723  23.897   3.571
    9    H    ALA   2           H        ALA   2  16.056  20.171   1.214
   10    HA   ALA   2           HA       ALA   2  13.403  20.353   2.488
   11    HB1  ALA   2           3HB      ALA   2  12.855  18.638   0.805
   12    HB2  ALA   2           1HB      ALA   2  14.567  18.441   0.434
   13    HB3  ALA   2           2HB      ALA   2  13.751  19.959   0.057
   14    H    TYR   3           H        TYR   3  12.591  18.881   3.988
   15    HA   TYR   3           HA       TYR   3  14.493  17.181   5.425
   16    HD1  TYR   3           HD1      TYR   3  14.211  16.560   7.942
   17    HD2  TYR   3           HD2      TYR   3  10.314  15.897   6.260
   18    HE1  TYR   3           HE1      TYR   3  13.897  14.607   9.435
   19    HE2  TYR   3           HE2      TYR   3  10.000  13.945   7.754
   20    HH   TYR   3           HH       TYR   3  12.142  12.296   9.093
   21    HB2  TYR   3           2HB      TYR   3  12.825  18.387   6.663
   22    HB3  TYR   3           1HB      TYR   3  11.530  17.793   5.625
   23    H    VAL   4           H        VAL   4  14.495  14.895   5.470
   24    HA   VAL   4           HA       VAL   4  12.581  13.446   3.702
   25    HB   VAL   4           HB       VAL   4  14.708  14.170   2.491
   26   HG11  VAL   4          1HG1      VAL   4  16.074  11.952   3.996
   27   HG12  VAL   4          2HG1      VAL   4  16.094  13.593   4.640
   28   HG13  VAL   4          3HG1      VAL   4  16.789  13.260   3.055
   29   HG21  VAL   4          3HG2      VAL   4  14.414  11.167   2.723
   30   HG22  VAL   4          1HG2      VAL   4  14.893  12.100   1.306
   31   HG23  VAL   4          2HG2      VAL   4  13.232  12.177   1.891
   32    H    GLN   5           H        GLN   5  12.323  11.223   4.296
   33    HA   GLN   5           HA       GLN   5  13.362  10.547   7.019
   34    HB2  GLN   5           2HB      GLN   5  11.001   9.663   5.336
   35    HB3  GLN   5           1HB      GLN   5  11.433   8.868   6.850
   36    HG2  GLN   5           2HG      GLN   5  11.007  10.806   8.132
   37    HG3  GLN   5           1HG      GLN   5  11.056  11.858   6.718
   38   HE21  GLN   5          1HE2      GLN   5   9.284  10.869   4.935
   39   HE22  GLN   5          2HE2      GLN   5   7.741  10.661   5.611
   40    H    GLY   6           H        GLY   6  13.650   8.040   7.283
   41    HA2  GLY   6           2HA      GLY   6  15.345   7.096   5.030
   42    HA3  GLY   6           1HA      GLY   6  15.466   6.530   6.694
   43    H    TRP   7           H        TRP   7  13.344   5.450   7.506
   44    HA   TRP   7           HA       TRP   7  12.753   3.188   5.817
   45    HD1  TRP   7           HD1      TRP   7  14.669   3.069   7.425
   46    HE1  TRP   7           HE1      TRP   7  15.539   0.885   8.480
   47    HE3  TRP   7           HE3      TRP   7  10.312   1.221   9.345
   48    HZ2  TRP   7           HZ2      TRP   7  14.522  -1.349   9.949
   49    HZ3  TRP   7           HZ3      TRP   7  10.292  -0.932  10.568
   50    HH2  TRP   7           HH2      TRP   7  12.389  -2.219  10.873
   51    HB2  TRP   7           2HB      TRP   7  11.914   4.305   8.456
   52    HB3  TRP   7           1HB      TRP   7  10.834   3.122   7.722
   53    H    GLU   8           H        GLU   8  11.011   6.208   6.536
   54    HA   GLU   8           HA       GLU   8   8.556   5.519   5.205
   55    HB2  GLU   8           2HB      GLU   8   9.860   7.822   6.451
   56    HB3  GLU   8           1HB      GLU   8   8.889   8.291   5.056
   57    HG2  GLU   8           2HG      GLU   8   7.229   8.307   6.651
   58    HG3  GLU   8           1HG      GLU   8   7.146   6.604   6.196
   59    H    ALA   9           H        ALA   9  11.584   7.014   4.084
   60    HA   ALA   9           HA       ALA   9  10.652   7.732   1.459
   61    HB1  ALA   9           3HB      ALA   9  13.288   7.309   2.837
   62    HB2  ALA   9           1HB      ALA   9  12.630   8.786   2.132
   63    HB3  ALA   9           2HB      ALA   9  13.267   7.517   1.086
   64    H    VAL  10           H        VAL  10  12.283   4.832   2.751
   65    HA   VAL  10           HA       VAL  10  12.461   3.458   0.209
   66    HB   VAL  10           HB       VAL  10  12.469   2.522   3.103
   67   HG11  VAL  10          1HG1      VAL  10  13.861   0.614   1.854
   68   HG12  VAL  10          2HG1      VAL  10  12.811   1.071   0.512
   69   HG13  VAL  10          3HG1      VAL  10  12.110   0.509   2.030
   70   HG21  VAL  10          3HG2      VAL  10  14.781   2.912   1.178
   71   HG22  VAL  10          1HG2      VAL  10  14.876   2.567   2.905
   72   HG23  VAL  10          2HG2      VAL  10  14.277   4.129   2.350
   73    H    ALA  11           H        ALA  11  10.102   3.489   2.863
   74    HA   ALA  11           HA       ALA  11   8.374   1.447   1.795
   75    HB1  ALA  11           3HB      ALA  11   7.590   3.809   3.521
   76    HB2  ALA  11           1HB      ALA  11   8.543   2.469   4.160
   77    HB3  ALA  11           2HB      ALA  11   6.916   2.180   3.548
   78    H    ALA  12           H        ALA  12   8.482   5.002   1.494
   79    HA   ALA  12           HA       ALA  12   6.081   5.372   0.003
   80    HB1  ALA  12           3HB      ALA  12   8.732   6.851   0.028
   81    HB2  ALA  12           1HB      ALA  12   7.327   7.197   1.038
   82    HB3  ALA  12           2HB      ALA  12   7.256   7.484  -0.700
   83    H    ALA  13           H        ALA  13   9.420   4.645  -1.044
   84    HA   ALA  13           HA       ALA  13   9.008   4.823  -3.857
   85    HB1  ALA  13           3HB      ALA  13  11.007   3.237  -3.857
   86    HB2  ALA  13           1HB      ALA  13  10.846   3.169  -2.102
   87    HB3  ALA  13           2HB      ALA  13  11.220   4.700  -2.895
   88    H    VAL  14           H        VAL  14   8.637   2.081  -1.597
   89    HA   VAL  14           HA       VAL  14   7.914   0.110  -3.550
   90    HB   VAL  14           HB       VAL  14   7.049   0.389  -0.647
   91   HG11  VAL  14          1HG1      VAL  14   6.961  -2.097  -0.734
   92   HG12  VAL  14          2HG1      VAL  14   7.322  -2.031  -2.460
   93   HG13  VAL  14          3HG1      VAL  14   5.813  -1.354  -1.847
   94   HG21  VAL  14          3HG2      VAL  14   9.247  -1.436  -1.159
   95   HG22  VAL  14          1HG2      VAL  14   9.169  -0.082  -0.031
   96   HG23  VAL  14          2HG2      VAL  14   9.652   0.190  -1.705
   97    H    ALA  15           H        ALA  15   5.928   2.345  -1.587
   98    HA   ALA  15           HA       ALA  15   3.365   1.500  -2.539
   99    HB1  ALA  15           3HB      ALA  15   4.589   3.860  -1.189
  100    HB2  ALA  15           1HB      ALA  15   3.213   2.873  -0.691
  101    HB3  ALA  15           2HB      ALA  15   3.007   4.112  -1.930
  102    H    SER  16           H        SER  16   5.682   3.924  -3.770
  103    HA   SER  16           HA       SER  16   4.035   5.020  -5.839
  104    HG   SER  16           HG       SER  16   5.983   5.843  -7.627
  105    HB2  SER  16           2HB      SER  16   6.307   5.773  -4.813
  106    HB3  SER  16           1HB      SER  16   7.033   4.675  -5.984
  107    H    LYS  17           H        LYS  17   6.250   2.218  -5.778
  108    HA   LYS  17           HA       LYS  17   6.093   1.633  -8.591
  109    HB2  LYS  17           2HB      LYS  17   7.809   0.829  -6.916
  110    HB3  LYS  17           1HB      LYS  17   6.584  -0.265  -6.270
  111    HG2  LYS  17           2HG      LYS  17   6.604  -1.618  -8.140
  112    HG3  LYS  17           1HG      LYS  17   7.050  -0.299  -9.221
  113    HD2  LYS  17           2HD      LYS  17   9.330  -0.361  -8.514
  114    HD3  LYS  17           1HD      LYS  17   8.950  -1.406  -7.144
  115    HE2  LYS  17           2HE      LYS  17   9.300  -3.229  -8.440
  116    HE3  LYS  17           1HE      LYS  17   8.018  -2.693  -9.542
  117    HZ1  LYS  17           3HZ      LYS  17  10.422  -2.852 -10.432
  118    HZ2  LYS  17           1HZ      LYS  17  10.673  -1.397  -9.600
  119    HZ3  LYS  17           2HZ      LYS  17   9.496  -1.483 -10.825
  120    H    ILE  18           H        ILE  18   4.091   0.718  -5.798
  121    HA   ILE  18           HA       ILE  18   2.544  -1.341  -7.029
  122    HB   ILE  18           HB       ILE  18   2.097   0.653  -4.800
  123   HG12  ILE  18          2HG1      ILE  18   2.536  -2.350  -4.940
  124   HG13  ILE  18          1HG1      ILE  18   3.675  -1.144  -4.340
  125   HG21  ILE  18          1HG2      ILE  18  -0.120   0.208  -5.741
  126   HG22  ILE  18          2HG2      ILE  18   0.048  -0.650  -4.210
  127   HG23  ILE  18          3HG2      ILE  18   0.198  -1.527  -5.732
  128   HD11  ILE  18          3HD1      ILE  18   0.989  -1.852  -3.125
  129   HD12  ILE  18          1HD1      ILE  18   2.017  -0.533  -2.566
  130   HD13  ILE  18          2HD1      ILE  18   2.576  -2.201  -2.439
  131    H    VAL  19           H        VAL  19   1.922   2.187  -6.762
  132    HA   VAL  19           HA       VAL  19  -0.531   2.211  -8.235
  133    HB   VAL  19           HB       VAL  19   1.653   4.223  -7.650
  134   HG11  VAL  19          1HG1      VAL  19  -0.785   4.513  -9.380
  135   HG12  VAL  19          2HG1      VAL  19   0.822   5.205  -9.594
  136   HG13  VAL  19          3HG1      VAL  19  -0.273   5.875  -8.384
  137   HG21  VAL  19          3HG2      VAL  19   0.059   5.101  -6.072
  138   HG22  VAL  19          1HG2      VAL  19   0.081   3.352  -5.848
  139   HG23  VAL  19          2HG2      VAL  19  -1.238   4.110  -6.740
  140    H    GLY  20           H        GLY  20   2.863   2.509  -9.289
  141    HA2  GLY  20           2HA      GLY  20   2.266   3.066 -12.055
  142    HA3  GLY  20           1HA      GLY  20   3.814   2.489 -11.437
  143    H    LEU  21           H        LEU  21   2.504   0.089 -10.181
  144    HA   LEU  21           HA       LEU  21   2.110  -1.498 -12.688
  145    HG   LEU  21           HG       LEU  21   2.415  -3.947 -12.158
  146    HB2  LEU  21           2HB      LEU  21   4.171  -1.736 -11.122
  147    HB3  LEU  21           1HB      LEU  21   3.058  -2.552 -10.026
  148   HD11  LEU  21          1HD1      LEU  21   4.133  -4.160 -13.808
  149   HD12  LEU  21          2HD1      LEU  21   5.261  -3.194 -12.858
  150   HD13  LEU  21          3HD1      LEU  21   3.863  -2.428 -13.614
  151   HD21  LEU  21          3HD2      LEU  21   3.380  -5.110 -10.351
  152   HD22  LEU  21          1HD2      LEU  21   4.889  -4.202 -10.452
  153   HD23  LEU  21          2HD2      LEU  21   4.509  -5.421 -11.669
  154    H    TRP  22           H        TRP  22  -0.099  -0.189 -11.255
  155    HA   TRP  22           HA       TRP  22  -1.450  -2.444  -9.866
  156    HD1  TRP  22           HD1      TRP  22  -3.267  -2.846  -8.692
  157    HE1  TRP  22           HE1      TRP  22  -5.724  -2.610  -7.950
  158    HE3  TRP  22           HE3      TRP  22  -3.962   2.146  -9.517
  159    HZ2  TRP  22           HZ2      TRP  22  -7.722  -0.570  -7.724
  160    HZ3  TRP  22           HZ3      TRP  22  -6.148   3.208  -9.029
  161    HH2  TRP  22           HH2      TRP  22  -8.024   1.858  -8.134
  162    HB2  TRP  22           2HB      TRP  22  -1.404  -0.250  -8.775
  163    HB3  TRP  22           1HB      TRP  22  -2.118   0.499 -10.201
  164    H    ARG  23           H        ARG  23  -3.142  -3.524 -10.799
  165    HA   ARG  23           HA       ARG  23  -3.974  -2.778 -13.563
  166    HE   ARG  23           HE       ARG  23  -0.745  -7.041 -11.902
  167    HB2  ARG  23           2HB      ARG  23  -4.658  -5.287 -12.003
  168    HB3  ARG  23           1HB      ARG  23  -4.563  -5.092 -13.750
  169    HG2  ARG  23           2HG      ARG  23  -2.118  -4.741 -13.575
  170    HG3  ARG  23           1HG      ARG  23  -2.217  -4.997 -11.832
  171    HD2  ARG  23           2HD      ARG  23  -3.199  -7.273 -12.278
  172    HD3  ARG  23           1HD      ARG  23  -2.881  -7.013 -14.005
  173   HH11  ARG  23          1HH2      ARG  23  -0.292  -5.662 -14.620
  174   HH12  ARG  23          2HH2      ARG  23   0.535  -6.915 -15.481
  175   HH21  ARG  23          2HH1      ARG  23  -0.358  -9.413 -13.233
  176   HH22  ARG  23          1HH1      ARG  23   0.494  -9.047 -14.696
  177    H    ASN  24           H        ASN  24  -6.552  -3.854 -13.615
  178    HA   ASN  24           HA       ASN  24  -8.257  -1.864 -12.653
  179    HB2  ASN  24           2HB      ASN  24  -8.478  -4.729 -13.434
  180    HB3  ASN  24           1HB      ASN  24  -9.855  -4.052 -12.569
  181   HD21  ASN  24          1HD2      ASN  24 -11.052  -2.285 -13.606
  182   HD22  ASN  24          2HD2      ASN  24 -10.847  -1.939 -15.255
  183    H    GLU  25           H        GLU  25  -7.300  -4.874 -10.979
  184    HA   GLU  25           HA       GLU  25  -7.739  -3.618  -8.356
  185    HB2  GLU  25           2HB      GLU  25  -9.447  -5.287  -7.687
  186    HB3  GLU  25           1HB      GLU  25 -10.000  -4.326  -9.058
  187    HG2  GLU  25           2HG      GLU  25  -8.666  -6.451 -10.263
  188    HG3  GLU  25           1HG      GLU  25  -9.487  -7.204  -8.895
  189    H    LYS  26           H        LYS  26  -5.453  -4.817  -9.741
  190    HA   LYS  26           HA       LYS  26  -4.706  -6.842  -7.700
  191    HB2  LYS  26           2HB      LYS  26  -5.809  -7.815  -9.849
  192    HB3  LYS  26           1HB      LYS  26  -4.292  -7.381 -10.635
  193    HG2  LYS  26           2HG      LYS  26  -3.027  -8.772  -9.105
  194    HG3  LYS  26           1HG      LYS  26  -4.466  -9.089  -8.136
  195    HD2  LYS  26           2HD      LYS  26  -4.909  -9.753 -10.937
  196    HD3  LYS  26           1HD      LYS  26  -3.532 -10.635 -10.276
  197    HE2  LYS  26           2HE      LYS  26  -5.380 -12.027  -9.747
  198    HE3  LYS  26           1HE      LYS  26  -5.121 -11.115  -8.246
  199    HZ1  LYS  26           3HZ      LYS  26  -6.985 -10.331 -10.432
  200    HZ2  LYS  26           1HZ      LYS  26  -6.741  -9.485  -8.982
  201    HZ3  LYS  26           2HZ      LYS  26  -7.452 -11.027  -8.954
  202    H    THR  27           H        THR  27  -2.349  -7.156  -7.621
  203    HA   THR  27           HA       THR  27  -0.619  -5.491  -9.332
  204    HB   THR  27           HB       THR  27  -1.628  -4.004  -7.526
  205    HG1  THR  27           HG1      THR  27   0.448  -3.638  -8.524
  206   HG21  THR  27          3HG2      THR  27  -1.506  -5.902  -5.797
  207   HG22  THR  27          1HG2      THR  27  -1.022  -4.296  -5.253
  208   HG23  THR  27          2HG2      THR  27   0.205  -5.498  -5.651
  209    H    GLU  28           H        GLU  28   1.740  -5.650  -8.259
  210    HA   GLU  28           HA       GLU  28   2.090  -8.448  -7.229
  211    HB2  GLU  28           2HB      GLU  28   3.166  -7.007  -9.583
  212    HB3  GLU  28           1HB      GLU  28   4.354  -7.942  -8.676
  213    HG2  GLU  28           2HG      GLU  28   3.436  -9.938  -9.279
  214    HG3  GLU  28           1HG      GLU  28   1.785  -9.328  -9.155
  215    H    LEU  29           H        LEU  29   3.660  -8.677  -5.601
  216    HA   LEU  29           HA       LEU  29   5.264  -6.263  -4.873
  217    HG   LEU  29           HG       LEU  29   3.261  -5.277  -4.327
  218    HB2  LEU  29           2HB      LEU  29   3.199  -7.754  -3.313
  219    HB3  LEU  29           1HB      LEU  29   4.605  -7.158  -2.433
  220   HD11  LEU  29          1HD1      LEU  29   1.281  -5.959  -3.278
  221   HD12  LEU  29          2HD1      LEU  29   1.811  -4.628  -2.250
  222   HD13  LEU  29          3HD1      LEU  29   2.093  -6.295  -1.748
  223   HD21  LEU  29          3HD2      LEU  29   5.369  -4.880  -2.861
  224   HD22  LEU  29          1HD2      LEU  29   4.237  -4.779  -1.513
  225   HD23  LEU  29          2HD2      LEU  29   4.118  -3.639  -2.853
  226    H    LEU  30           H        LEU  30   7.381  -6.874  -4.722
  227    HA   LEU  30           HA       LEU  30   9.303  -8.196  -4.448
  228    HG   LEU  30           HG       LEU  30  10.358  -9.800  -2.925
  229    HB2  LEU  30           2HB      LEU  30   7.799  -8.354  -2.209
  230    HB3  LEU  30           1HB      LEU  30   7.820 -10.058  -2.661
  231   HD11  LEU  30          1HD1      LEU  30  11.080  -7.877  -1.222
  232   HD12  LEU  30          2HD1      LEU  30   9.579  -7.144  -1.787
  233   HD13  LEU  30          3HD1      LEU  30  10.855  -7.540  -2.938
  234   HD21  LEU  30          3HD2      LEU  30   8.907 -10.683  -0.874
  235   HD22  LEU  30          1HD2      LEU  30   9.592  -9.263  -0.081
  236   HD23  LEU  30          2HD2      LEU  30  10.656 -10.506  -0.739
  237    H    GLY  31           H        GLY  31   7.304  -8.964  -6.562
  238    HA2  GLY  31           2HA      GLY  31   7.398 -10.633  -8.239
  239    HA3  GLY  31           1HA      GLY  31   8.450 -11.584  -7.194
  240    H    HIS  32           H        HIS  32   5.506 -10.439  -5.747
  241    HA   HIS  32           HA       HIS  32   4.346 -13.190  -5.998
  242    HD1  HIS  32           HD1      HIS  32   5.505 -14.650  -4.584
  243    HD2  HIS  32           HD2      HIS  32   6.509 -11.319  -2.288
  244    HE1  HIS  32           HE1      HIS  32   7.722 -15.181  -3.481
  245    HB2  HIS  32           2HB      HIS  32   4.207 -11.138  -3.765
  246    HB3  HIS  32           1HB      HIS  32   3.443 -12.722  -3.734
  247    H    GLU  33           H        GLU  33   1.927 -13.214  -5.842
  248    HA   GLU  33           HA       GLU  33   0.756 -11.000  -7.416
  249    HB2  GLU  33           2HB      GLU  33   0.286 -13.838  -6.907
  250    HB3  GLU  33           1HB      GLU  33  -1.207 -12.904  -6.805
  251    HG2  GLU  33           2HG      GLU  33  -0.160 -11.788  -9.023
  252    HG3  GLU  33           1HG      GLU  33   0.569 -13.388  -9.145
  253    H    CYS  34           H        CYS  34  -0.593  -9.465  -6.539
  254    HA   CYS  34           HA       CYS  34  -1.629  -9.893  -3.771
  255    HB2  CYS  34           2HB      CYS  34  -0.161  -7.511  -4.924
  256    HB3  CYS  34           1HB      CYS  34  -0.986  -7.486  -3.368
  257    H    LYS  35           H        LYS  35  -3.403  -8.318  -3.245
  258    HA   LYS  35           HA       LYS  35  -4.985  -7.603  -5.691
  259    HB2  LYS  35           2HB      LYS  35  -5.755  -9.515  -4.208
  260    HB3  LYS  35           1HB      LYS  35  -6.002  -8.325  -2.930
  261    HG2  LYS  35           2HG      LYS  35  -8.111  -8.278  -3.853
  262    HG3  LYS  35           1HG      LYS  35  -7.342  -7.079  -4.891
  263    HD2  LYS  35           2HD      LYS  35  -7.787  -8.365  -6.682
  264    HD3  LYS  35           1HD      LYS  35  -6.777  -9.640  -6.002
  265    HE2  LYS  35           2HE      LYS  35  -8.867 -10.716  -6.217
  266    HE3  LYS  35           1HE      LYS  35  -8.912 -10.159  -4.533
  267    HZ1  LYS  35           3HZ      LYS  35  -9.981  -8.106  -5.299
  268    HZ2  LYS  35           1HZ      LYS  35 -10.917  -9.469  -5.680
  269    HZ3  LYS  35           2HZ      LYS  35 -10.002  -8.704  -6.891
  270    H    PHE  36           H        PHE  36  -5.098  -5.420  -5.922
  271    HA   PHE  36           HA       PHE  36  -5.313  -3.705  -3.469
  272    HD1  PHE  36           HD2      PHE  36  -5.314  -1.078  -6.034
  273    HD2  PHE  36           HD1      PHE  36  -2.305  -1.970  -3.104
  274    HE1  PHE  36           HE2      PHE  36  -5.196   1.319  -5.434
  275    HE2  PHE  36           HE1      PHE  36  -2.183   0.433  -2.506
  276    HZ   PHE  36           HZ       PHE  36  -3.629   2.075  -3.673
  277    HB2  PHE  36           2HB      PHE  36  -3.068  -3.675  -4.527
  278    HB3  PHE  36           1HB      PHE  36  -3.798  -3.236  -6.064
  279    H    THR  37           H        THR  37  -7.218  -2.485  -3.543
  280    HA   THR  37           HA       THR  37  -8.188  -1.495  -6.162
  281    HB   THR  37           HB       THR  37 -10.261  -2.876  -4.543
  282    HG1  THR  37           HG1      THR  37  -9.648  -4.883  -5.571
  283   HG21  THR  37          3HG2      THR  37 -11.038  -1.947  -6.548
  284   HG22  THR  37          1HG2      THR  37 -10.791  -3.641  -6.973
  285   HG23  THR  37          2HG2      THR  37  -9.596  -2.432  -7.442
  286    H    VAL  38           H        VAL  38 -10.228  -0.159  -5.830
  287    HA   VAL  38           HA       VAL  38 -10.236   1.204  -3.162
  288    HB   VAL  38           HB       VAL  38  -8.971   2.420  -4.958
  289   HG11  VAL  38          1HG1      VAL  38 -10.169   3.342  -6.864
  290   HG12  VAL  38          2HG1      VAL  38 -11.684   2.642  -6.297
  291   HG13  VAL  38          3HG1      VAL  38 -10.382   1.591  -6.855
  292   HG21  VAL  38          3HG2      VAL  38 -10.020   4.572  -4.573
  293   HG22  VAL  38          1HG2      VAL  38 -10.193   3.608  -3.107
  294   HG23  VAL  38          2HG2      VAL  38 -11.564   3.803  -4.202
  295    H    LYS  39           H        LYS  39 -12.323   1.959  -2.479
  296    HA   LYS  39           HA       LYS  39 -14.652   1.642  -4.259
  297    HB2  LYS  39           2HB      LYS  39 -14.011  -0.633  -3.310
  298    HB3  LYS  39           1HB      LYS  39 -14.419   0.008  -1.718
  299    HG2  LYS  39           2HG      LYS  39 -16.677   0.074  -2.164
  300    HG3  LYS  39           1HG      LYS  39 -16.434   0.367  -3.888
  301    HD2  LYS  39           2HD      LYS  39 -15.617  -1.999  -4.110
  302    HD3  LYS  39           1HD      LYS  39 -16.071  -2.263  -2.426
  303    HE2  LYS  39           2HE      LYS  39 -18.396  -1.890  -2.892
  304    HE3  LYS  39           1HE      LYS  39 -18.035  -1.256  -4.510
  305    HZ1  LYS  39           3HZ      LYS  39 -17.115  -3.388  -5.130
  306    HZ2  LYS  39           1HZ      LYS  39 -18.704  -3.605  -4.577
  307    HZ3  LYS  39           2HZ      LYS  39 -17.394  -4.007  -3.571
  308    HA   PRO  40           HA       PRO  40 -15.530   4.976  -1.379
  309    HB2  PRO  40           2HB      PRO  40 -17.610   6.033  -2.798
  310    HB3  PRO  40           1HB      PRO  40 -15.912   6.325  -3.216
  311    HG2  PRO  40           2HG      PRO  40 -17.877   4.481  -4.459
  312    HG3  PRO  40           1HG      PRO  40 -16.581   5.422  -5.209
  313    HD2  PRO  40           2HD      PRO  40 -16.446   2.725  -4.662
  314    HD3  PRO  40           1HD      PRO  40 -15.036   3.787  -4.867
  315    H    TYR  41           H        TYR  41 -17.272   5.393   0.114
  316    HA   TYR  41           HA       TYR  41 -19.519   3.408   0.082
  317    HD1  TYR  41           HD1      TYR  41 -18.935   1.386   0.439
  318    HD2  TYR  41           HD2      TYR  41 -15.869   3.247   2.803
  319    HE1  TYR  41           HE1      TYR  41 -17.437  -0.547   0.019
  320    HE2  TYR  41           HE2      TYR  41 -14.374   1.317   2.382
  321    HH   TYR  41           HH       TYR  41 -14.504  -0.652   0.118
  322    HB2  TYR  41           2HB      TYR  41 -17.862   4.396   2.425
  323    HB3  TYR  41           1HB      TYR  41 -19.229   3.300   2.543
  324    H    LEU  42           H        LEU  42 -20.946   4.328   2.185
  325    HA   LEU  42           HA       LEU  42 -21.341   7.254   1.753
  326    HG   LEU  42           HG       LEU  42 -23.031   8.171   1.086
  327    HB2  LEU  42           2HB      LEU  42 -22.789   5.482   0.382
  328    HB3  LEU  42           1HB      LEU  42 -23.716   5.444   1.882
  329   HD11  LEU  42          1HD1      LEU  42 -24.593   8.254  -0.838
  330   HD12  LEU  42          2HD1      LEU  42 -24.742   6.497  -0.778
  331   HD13  LEU  42          3HD1      LEU  42 -23.193   7.238  -1.178
  332   HD21  LEU  42          3HD2      LEU  42 -25.303   8.572   1.678
  333   HD22  LEU  42          1HD2      LEU  42 -24.767   7.297   2.771
  334   HD23  LEU  42          2HD2      LEU  42 -25.759   6.896   1.370
  335    H    LYS  43           H        LYS  43 -22.236   8.332   3.528
  336    HA   LYS  43           HA       LYS  43 -22.499   6.747   6.058
  337    HB2  LYS  43           2HB      LYS  43 -20.618   8.569   5.480
  338    HB3  LYS  43           1HB      LYS  43 -21.888   9.679   5.992
  339    HG2  LYS  43           2HG      LYS  43 -21.817   8.973   8.176
  340    HG3  LYS  43           1HG      LYS  43 -21.410   7.315   7.737
  341    HD2  LYS  43           2HD      LYS  43 -19.231   7.723   8.111
  342    HD3  LYS  43           1HD      LYS  43 -19.254   9.029   6.928
  343    HE2  LYS  43           2HE      LYS  43 -20.536   9.749   9.485
  344    HE3  LYS  43           1HE      LYS  43 -18.805   9.389   9.625
  345    HZ1  LYS  43           3HZ      LYS  43 -18.243  11.019   8.123
  346    HZ2  LYS  43           1HZ      LYS  43 -19.569  11.751   8.886
  347    HZ3  LYS  43           2HZ      LYS  43 -19.768  11.019   7.367
  348    H    ARG  44           H        ARG  44 -23.868   8.159   7.694
  349    HA   ARG  44           HA       ARG  44 -26.538   8.197   7.146
  350    HE   ARG  44           HE       ARG  44 -27.190   6.852  11.573
  351    HB2  ARG  44           2HB      ARG  44 -24.725   9.479   9.004
  352    HB3  ARG  44           1HB      ARG  44 -26.103  10.528   8.673
  353    HG2  ARG  44           2HG      ARG  44 -27.604   9.096   9.644
  354    HG3  ARG  44           1HG      ARG  44 -26.727   7.658   9.120
  355    HD2  ARG  44           2HD      ARG  44 -24.921   8.695  10.877
  356    HD3  ARG  44           1HD      ARG  44 -26.442   9.225  11.624
  357   HH11  ARG  44          2HH1      ARG  44 -24.974   6.112   9.530
  358   HH12  ARG  44          1HH1      ARG  44 -23.937   5.153  10.534
  359   HH21  ARG  44          1HH2      ARG  44 -25.381   6.235  13.508
  360   HH22  ARG  44          2HH2      ARG  44 -24.169   5.223  12.795
  361    H    PHE  45           H        PHE  45 -24.335  10.892   6.356
  362    HA   PHE  45           HA       PHE  45 -26.198  11.790   4.250
  363    HD1  PHE  45           HD2      PHE  45 -26.566  14.759   3.676
  364    HD2  PHE  45           HD1      PHE  45 -28.614  12.578   6.757
  365    HE1  PHE  45           HE2      PHE  45 -28.746  15.442   2.711
  366    HE2  PHE  45           HE1      PHE  45 -30.793  13.261   5.792
  367    HZ   PHE  45           HZ       PHE  45 -30.859  14.694   3.769
  368    HB2  PHE  45           2HB      PHE  45 -26.274  12.836   6.871
  369    HB3  PHE  45           1HB      PHE  45 -25.459  14.060   5.898
  370    H    GLN  46           H        GLN  46 -23.400  10.771   4.298
  371    HA   GLN  46           HA       GLN  46 -22.159  12.962   2.751
  372    HB2  GLN  46           2HB      GLN  46 -21.541  12.334   5.542
  373    HB3  GLN  46           1HB      GLN  46 -20.114  12.248   4.511
  374    HG2  GLN  46           2HG      GLN  46 -19.998  14.496   4.660
  375    HG3  GLN  46           1HG      GLN  46 -21.442  14.553   3.649
  376   HE21  GLN  46          1HE2      GLN  46 -22.706  16.172   4.645
  377   HE22  GLN  46          2HE2      GLN  46 -23.140  16.167   6.286
  378    H    VAL  47           H        VAL  47 -20.720  12.135   1.215
  379    HA   VAL  47           HA       VAL  47 -20.415   9.171   1.108
  380    HB   VAL  47           HB       VAL  47 -19.885  11.396  -0.896
  381   HG11  VAL  47          1HG1      VAL  47 -19.843   9.518  -2.545
  382   HG12  VAL  47          2HG1      VAL  47 -19.914   8.376  -1.202
  383   HG13  VAL  47          3HG1      VAL  47 -18.515   9.435  -1.388
  384   HG21  VAL  47          3HG2      VAL  47 -22.166   9.401  -0.690
  385   HG22  VAL  47          1HG2      VAL  47 -21.970  10.618  -1.950
  386   HG23  VAL  47          2HG2      VAL  47 -22.277  11.114  -0.286
  387    H    TYR  48           H        TYR  48 -18.329   8.205   0.960
  388    HA   TYR  48           HA       TYR  48 -15.964  10.000   1.315
  389    HD1  TYR  48           HD2      TYR  48 -14.367  10.437   3.473
  390    HD2  TYR  48           HD1      TYR  48 -18.462   9.444   4.308
  391    HE1  TYR  48           HE2      TYR  48 -14.557  12.437   4.925
  392    HE2  TYR  48           HE1      TYR  48 -18.651  11.445   5.756
  393    HH   TYR  48           HH       TYR  48 -15.962  13.205   6.825
  394    HB2  TYR  48           2HB      TYR  48 -17.087   7.904   3.143
  395    HB3  TYR  48           1HB      TYR  48 -15.337   8.114   3.083
  396    H    TYR  49           H        TYR  49 -13.972   9.039   0.613
  397    HA   TYR  49           HA       TYR  49 -14.324   6.694  -1.194
  398    HD1  TYR  49           HD2      TYR  49 -15.013   9.278  -2.615
  399    HD2  TYR  49           HD1      TYR  49 -11.654   6.774  -3.566
  400    HE1  TYR  49           HE2      TYR  49 -15.829   9.070  -4.946
  401    HE2  TYR  49           HE1      TYR  49 -12.468   6.568  -5.900
  402    HH   TYR  49           HH       TYR  49 -15.409   7.094  -6.872
  403    HB2  TYR  49           2HB      TYR  49 -12.857   9.194  -1.201
  404    HB3  TYR  49           1HB      TYR  49 -11.759   7.840  -1.464
  405    H    LYS  50           H        LYS  50 -13.426   4.748  -0.638
  406    HA   LYS  50           HA       LYS  50 -11.301   4.704   1.478
  407    HB2  LYS  50           2HB      LYS  50 -13.739   4.118   2.128
  408    HB3  LYS  50           1HB      LYS  50 -13.497   2.653   1.180
  409    HG2  LYS  50           2HG      LYS  50 -12.130   1.720   2.740
  410    HG3  LYS  50           1HG      LYS  50 -11.315   3.247   3.076
  411    HD2  LYS  50           2HD      LYS  50 -13.040   3.965   4.553
  412    HD3  LYS  50           1HD      LYS  50 -14.140   2.703   4.001
  413    HE2  LYS  50           2HE      LYS  50 -13.410   1.569   5.851
  414    HE3  LYS  50           1HE      LYS  50 -11.978   1.219   4.863
  415    HZ1  LYS  50           3HZ      LYS  50 -12.318   3.166   7.009
  416    HZ2  LYS  50           1HZ      LYS  50 -11.391   3.677   5.682
  417    HZ3  LYS  50           2HZ      LYS  50 -10.938   2.287   6.548
  418    H    GLY  51           H        GLY  51 -10.028   2.626   1.398
  419    HA2  GLY  51           2HA      GLY  51 -10.207   1.060  -1.078
  420    HA3  GLY  51           1HA      GLY  51  -8.761   2.061  -0.937
  421    H    ARG  52           H        ARG  52  -8.928  -0.880  -0.965
  422    HA   ARG  52           HA       ARG  52  -7.420  -1.358   1.555
  423    HE   ARG  52           HE       ARG  52 -10.201  -5.318   3.687
  424    HB2  ARG  52           2HB      ARG  52  -9.888  -1.883   1.840
  425    HB3  ARG  52           1HB      ARG  52  -9.695  -3.130   0.607
  426    HG2  ARG  52           2HG      ARG  52  -8.815  -4.559   2.107
  427    HG3  ARG  52           1HG      ARG  52  -7.604  -3.371   2.591
  428    HD2  ARG  52           2HD      ARG  52  -8.719  -3.428   4.597
  429    HD3  ARG  52           1HD      ARG  52  -9.859  -2.342   3.779
  430   HH11  ARG  52          1HH2      ARG  52 -11.316  -2.942   5.630
  431   HH12  ARG  52          2HH2      ARG  52 -12.982  -3.034   5.166
  432   HH21  ARG  52          2HH1      ARG  52 -12.379  -5.083   2.425
  433   HH22  ARG  52          1HH1      ARG  52 -13.585  -4.255   3.351
  434    H    MET  53           H        MET  53  -5.652  -2.665   1.137
  435    HA   MET  53           HA       MET  53  -5.703  -4.403  -1.291
  436    HB2  MET  53           2HB      MET  53  -3.725  -3.427  -2.135
  437    HB3  MET  53           1HB      MET  53  -4.663  -2.046  -1.577
  438    HG2  MET  53           2HG      MET  53  -2.629  -1.553  -0.593
  439    HG3  MET  53           1HG      MET  53  -3.345  -2.524   0.694
  440    HE1  MET  53           3HE      MET  53  -0.057  -3.225  -2.200
  441    HE2  MET  53           1HE      MET  53   0.310  -2.368  -0.697
  442    HE3  MET  53           2HE      MET  53  -0.992  -1.805  -1.740
  443    H    TRP  54           H        TRP  54  -4.062  -6.092  -1.235
  444    HA   TRP  54           HA       TRP  54  -2.397  -6.554   1.103
  445    HD1  TRP  54           HD1      TRP  54  -4.377 -10.251   0.058
  446    HE1  TRP  54           HE1      TRP  54  -6.582 -10.611  -1.226
  447    HE3  TRP  54           HE3      TRP  54  -6.705  -5.808   1.032
  448    HZ2  TRP  54           HZ2      TRP  54  -9.011  -9.198  -1.775
  449    HZ3  TRP  54           HZ3      TRP  54  -8.959  -5.341   0.115
  450    HH2  TRP  54           HH2      TRP  54 -10.114  -7.031  -1.287
  451    HB2  TRP  54           2HB      TRP  54  -3.716  -8.480   1.967
  452    HB3  TRP  54           1HB      TRP  54  -4.643  -6.986   2.049
  453    H    CYS  55           H        CYS  55  -2.037  -9.276   0.992
  454    HA   CYS  55           HA       CYS  55  -1.585  -9.881  -1.899
  455    HB2  CYS  55           2HB      CYS  55   0.319  -9.995   0.434
  456    HB3  CYS  55           1HB      CYS  55   0.646 -10.830  -1.079
  457    HA   PRO  56           HA       PRO  56  -3.601 -13.509   0.007
  458    HB2  PRO  56           2HB      PRO  56  -4.985 -14.232  -2.242
  459    HB3  PRO  56           1HB      PRO  56  -5.571 -13.004  -1.103
  460    HG2  PRO  56           2HG      PRO  56  -4.264 -12.659  -3.746
  461    HG3  PRO  56           1HG      PRO  56  -5.553 -11.712  -2.989
  462    HD2  PRO  56           2HD      PRO  56  -2.920 -10.940  -3.096
  463    HD3  PRO  56           1HD      PRO  56  -4.083 -10.365  -1.891
  464    H    GLY  57           H        GLY  57  -1.322 -14.326  -0.056
  465    HA2  GLY  57           2HA      GLY  57  -0.834 -16.743  -1.156
  466    HA3  GLY  57           1HA      GLY  57  -0.448 -15.688  -2.516
  467    H    TRP  58           H        TRP  58   0.728 -13.532  -1.209
  468    HA   TRP  58           HA       TRP  58   3.400 -14.509  -0.697
  469    HD1  TRP  58           HD1      TRP  58   5.248 -13.868   0.036
  470    HE1  TRP  58           HE1      TRP  58   7.247 -12.358   0.643
  471    HE3  TRP  58           HE3      TRP  58   3.108  -9.272  -0.589
  472    HZ2  TRP  58           HZ2      TRP  58   7.857  -9.571   0.839
  473    HZ3  TRP  58           HZ3      TRP  58   4.420  -7.210  -0.186
  474    HH2  TRP  58           HH2      TRP  58   6.790  -7.353   0.526
  475    HB2  TRP  58           2HB      TRP  58   2.762 -12.325  -1.738
  476    HB3  TRP  58           1HB      TRP  58   2.126 -11.799  -0.187
  477    H    THR  59           H        THR  59   1.060 -12.797   1.420
  478    HA   THR  59           HA       THR  59   1.938 -14.416   3.730
  479    HB   THR  59           HB       THR  59   3.537 -12.539   3.589
  480    HG1  THR  59           HG1      THR  59   3.256 -12.874   5.658
  481   HG21  THR  59          3HG2      THR  59   1.137 -11.077   2.897
  482   HG22  THR  59          1HG2      THR  59   2.823 -10.584   2.740
  483   HG23  THR  59          2HG2      THR  59   1.959 -10.303   4.251
  484    H    ALA  60           H        ALA  60   0.669 -12.966   5.729
  485    HA   ALA  60           HA       ALA  60  -2.182 -12.882   4.800
  486    HB1  ALA  60           3HB      ALA  60  -1.584 -14.815   6.216
  487    HB2  ALA  60           1HB      ALA  60  -2.694 -13.743   7.070
  488    HB3  ALA  60           2HB      ALA  60  -0.973 -13.721   7.457
  489    H    ILE  61           H        ILE  61  -0.691 -10.525   4.647
  490    HA   ILE  61           HA       ILE  61  -1.689  -8.942   6.992
  491    HB   ILE  61           HB       ILE  61   0.857  -8.859   5.364
  492   HG12  ILE  61          2HG1      ILE  61   0.553  -8.557   8.348
  493   HG13  ILE  61          1HG1      ILE  61   0.464 -10.154   7.604
  494   HG21  ILE  61          1HG2      ILE  61   0.163  -6.559   5.352
  495   HG22  ILE  61          2HG2      ILE  61   1.361  -6.715   6.637
  496   HG23  ILE  61          3HG2      ILE  61  -0.356  -6.642   7.036
  497   HD11  ILE  61          3HD1      ILE  61   2.748  -8.244   7.070
  498   HD12  ILE  61          1HD1      ILE  61   2.672  -9.970   6.716
  499   HD13  ILE  61          2HD1      ILE  61   2.783  -9.417   8.386
  500    H    ARG  62           H        ARG  62  -2.592  -6.858   6.467
  501    HA   ARG  62           HA       ARG  62  -2.939  -6.251   3.574
  502    HE   ARG  62           HE       ARG  62  -7.275  -8.296   6.119
  503    HB2  ARG  62           2HB      ARG  62  -5.370  -5.805   4.113
  504    HB3  ARG  62           1HB      ARG  62  -4.896  -7.494   4.176
  505    HG2  ARG  62           2HG      ARG  62  -5.124  -7.615   6.469
  506    HG3  ARG  62           1HG      ARG  62  -4.665  -5.928   6.705
  507    HD2  ARG  62           2HD      ARG  62  -6.868  -5.432   6.919
  508    HD3  ARG  62           1HD      ARG  62  -7.083  -5.881   5.216
  509   HH11  ARG  62          2HH1      ARG  62  -6.949  -7.821   8.984
  510   HH12  ARG  62          1HH1      ARG  62  -8.572  -7.606   9.549
  511   HH21  ARG  62          1HH2      ARG  62  -9.875  -7.006   6.382
  512   HH22  ARG  62          2HH2      ARG  62 -10.234  -7.145   8.071
  513    H    GLY  63           H        GLY  63  -3.782  -4.046   3.220
  514    HA2  GLY  63           2HA      GLY  63  -3.427  -2.151   5.479
  515    HA3  GLY  63           1HA      GLY  63  -2.405  -1.923   4.062
  516    H    GLU  64           H        GLU  64  -4.989  -0.599   5.371
  517    HA   GLU  64           HA       GLU  64  -6.208   0.034   2.729
  518    HB2  GLU  64           2HB      GLU  64  -8.417  -0.344   3.645
  519    HB3  GLU  64           1HB      GLU  64  -7.446  -1.782   3.934
  520    HG2  GLU  64           2HG      GLU  64  -7.729  -1.588   6.158
  521    HG3  GLU  64           1HG      GLU  64  -7.147   0.076   6.133
  522    H    ALA  65           H        ALA  65  -7.713   1.982   2.947
  523    HA   ALA  65           HA       ALA  65  -7.330   3.789   5.223
  524    HB1  ALA  65           3HB      ALA  65  -6.148   5.463   3.586
  525    HB2  ALA  65           1HB      ALA  65  -5.755   4.010   2.666
  526    HB3  ALA  65           2HB      ALA  65  -5.193   4.180   4.329
  527    H    SER  66           H        SER  66  -8.247   6.047   4.619
  528    HA   SER  66           HA       SER  66 -10.117   6.082   2.335
  529    HG   SER  66           HG       SER  66 -10.677   6.177   6.029
  530    HB2  SER  66           2HB      SER  66 -11.888   6.717   4.303
  531    HB3  SER  66           1HB      SER  66 -11.718   5.102   3.633
  532    H    THR  67           H        THR  67 -10.841   8.186   1.835
  533    HA   THR  67           HA       THR  67 -10.500  10.469   3.595
  534    HB   THR  67           HB       THR  67  -8.132   9.850   3.031
  535    HG1  THR  67           HG1      THR  67  -8.126  11.928   3.386
  536   HG21  THR  67          3HG2      THR  67  -8.922  10.622   0.209
  537   HG22  THR  67          1HG2      THR  67  -8.651   8.966   0.748
  538   HG23  THR  67          2HG2      THR  67  -7.322  10.125   0.756
  539    H    ARG  68           H        ARG  68 -10.872  12.565   2.297
  540    HA   ARG  68           HA       ARG  68 -13.151  12.280   0.567
  541    HE   ARG  68           HE       ARG  68 -11.126  17.529   0.638
  542    HB2  ARG  68           2HB      ARG  68 -12.897  14.728   0.331
  543    HB3  ARG  68           1HB      ARG  68 -12.694  14.228   2.004
  544    HG2  ARG  68           2HG      ARG  68 -10.825  15.532   1.888
  545    HG3  ARG  68           1HG      ARG  68 -10.116  14.093   1.161
  546    HD2  ARG  68           2HD      ARG  68  -9.584  15.812  -0.389
  547    HD3  ARG  68           1HD      ARG  68 -11.038  15.080  -1.093
  548   HH11  ARG  68          2HH1      ARG  68 -11.155  17.597  -2.447
  549   HH12  ARG  68          1HH1      ARG  68 -12.848  17.797  -2.745
  550   HH21  ARG  68          1HH2      ARG  68 -13.786  16.897   0.481
  551   HH22  ARG  68          2HH2      ARG  68 -14.346  17.396  -1.081
  552    H    SER  69           H        SER  69  -9.712  12.848  -0.094
  553    HA   SER  69           HA       SER  69  -9.954  13.316  -2.925
  554    HG   SER  69           HG       SER  69  -6.456  13.217  -2.988
  555    HB2  SER  69           2HB      SER  69  -8.013  13.923  -1.530
  556    HB3  SER  69           1HB      SER  69  -7.673  12.218  -1.256
  557    H    GLN  70           H        GLN  70  -9.168  11.830  -4.600
  558    HA   GLN  70           HA       GLN  70 -10.163   9.060  -4.167
  559    HB2  GLN  70           2HB      GLN  70  -9.613  10.842  -6.543
  560    HB3  GLN  70           1HB      GLN  70  -9.898   9.115  -6.752
  561    HG2  GLN  70           2HG      GLN  70 -12.002   9.572  -5.235
  562    HG3  GLN  70           1HG      GLN  70 -11.781  11.238  -5.769
  563   HE21  GLN  70          1HE2      GLN  70 -13.253  11.583  -7.450
  564   HE22  GLN  70          2HE2      GLN  70 -13.504  10.518  -8.748
  565    H    SER  71           H        SER  71  -7.396  10.642  -5.832
  566    HA   SER  71           HA       SER  71  -5.824   8.245  -6.054
  567    HG   SER  71           HG       SER  71  -5.946   9.917  -8.215
  568    HB2  SER  71           2HB      SER  71  -4.763  11.070  -5.932
  569    HB3  SER  71           1HB      SER  71  -4.180   9.729  -6.910
  570    H    GLY  72           H        GLY  72  -6.147  10.694  -3.519
  571    HA2  GLY  72           2HA      GLY  72  -3.763  10.150  -2.059
  572    HA3  GLY  72           1HA      GLY  72  -5.246  10.794  -1.355
  573    H    VAL  73           H        VAL  73  -6.977   8.593  -1.909
  574    HA   VAL  73           HA       VAL  73  -6.383   6.877   0.315
  575    HB   VAL  73           HB       VAL  73  -8.607   7.551  -0.982
  576   HG11  VAL  73          1HG1      VAL  73  -8.101   4.804  -2.137
  577   HG12  VAL  73          2HG1      VAL  73  -7.788   6.277  -3.051
  578   HG13  VAL  73          3HG1      VAL  73  -9.423   5.910  -2.505
  579   HG21  VAL  73          3HG2      VAL  73  -8.586   6.353   1.130
  580   HG22  VAL  73          1HG2      VAL  73  -8.085   4.867   0.324
  581   HG23  VAL  73          2HG2      VAL  73  -9.693   5.530   0.031
  582    H    ALA  74           H        ALA  74  -5.831   6.542  -3.174
  583    HA   ALA  74           HA       ALA  74  -5.132   3.750  -3.175
  584    HB1  ALA  74           3HB      ALA  74  -5.761   5.149  -5.150
  585    HB2  ALA  74           1HB      ALA  74  -4.240   4.290  -5.393
  586    HB3  ALA  74           2HB      ALA  74  -4.228   6.008  -4.992
  587    H    GLY  75           H        GLY  75  -3.193   6.721  -2.758
  588    HA2  GLY  75           2HA      GLY  75  -0.669   5.324  -2.680
  589    HA3  GLY  75           1HA      GLY  75  -0.940   6.975  -2.116
  590    H    LYS  76           H        LYS  76  -3.092   6.203  -0.270
  591    HA   LYS  76           HA       LYS  76  -1.474   5.527   2.033
  592    HB2  LYS  76           2HB      LYS  76  -4.301   6.222   1.397
  593    HB3  LYS  76           1HB      LYS  76  -4.014   5.376   2.917
  594    HG2  LYS  76           2HG      LYS  76  -2.359   7.775   2.139
  595    HG3  LYS  76           1HG      LYS  76  -3.915   7.966   2.947
  596    HD2  LYS  76           2HD      LYS  76  -1.921   6.042   4.099
  597    HD3  LYS  76           1HD      LYS  76  -1.690   7.769   4.369
  598    HE2  LYS  76           2HE      LYS  76  -3.748   7.982   5.534
  599    HE3  LYS  76           1HE      LYS  76  -4.353   6.433   4.916
  600    HZ1  LYS  76           3HZ      LYS  76  -3.483   6.283   7.216
  601    HZ2  LYS  76           1HZ      LYS  76  -1.950   6.724   6.643
  602    HZ3  LYS  76           2HZ      LYS  76  -2.660   5.269   6.127
  603    H    THR  77           H        THR  77  -3.897   3.745   0.072
  604    HA   THR  77           HA       THR  77  -4.126   1.420   1.679
  605    HB   THR  77           HB       THR  77  -4.285   0.470  -0.878
  606    HG1  THR  77           HG1      THR  77  -3.612   2.462  -1.742
  607   HG21  THR  77          3HG2      THR  77  -6.240   0.249   0.264
  608   HG22  THR  77          1HG2      THR  77  -6.685   1.649  -0.711
  609   HG23  THR  77          2HG2      THR  77  -6.142   1.870   0.953
  610    H    ALA  78           H        ALA  78  -1.799   2.195  -0.901
  611    HA   ALA  78           HA       ALA  78  -0.317  -0.285  -0.634
  612    HB1  ALA  78           3HB      ALA  78   0.118   2.407  -1.934
  613    HB2  ALA  78           1HB      ALA  78  -0.190   0.855  -2.713
  614    HB3  ALA  78           2HB      ALA  78   1.376   1.173  -1.968
  615    H    LYS  79           H        LYS  79  -0.035   2.966   0.751
  616    HA   LYS  79           HA       LYS  79   2.540   2.515   1.984
  617    HB2  LYS  79           2HB      LYS  79   1.278   4.702   1.366
  618    HB3  LYS  79           1HB      LYS  79   0.462   4.483   2.912
  619    HG2  LYS  79           2HG      LYS  79   2.455   5.929   3.150
  620    HG3  LYS  79           1HG      LYS  79   2.635   4.434   4.069
  621    HD2  LYS  79           2HD      LYS  79   3.601   4.275   1.282
  622    HD3  LYS  79           1HD      LYS  79   4.500   5.399   2.301
  623    HE2  LYS  79           2HE      LYS  79   5.505   3.696   3.413
  624    HE3  LYS  79           1HE      LYS  79   3.948   2.904   3.717
  625    HZ1  LYS  79           3HZ      LYS  79   4.024   1.771   1.726
  626    HZ2  LYS  79           1HZ      LYS  79   5.666   1.784   2.136
  627    HZ3  LYS  79           2HZ      LYS  79   5.072   2.887   0.989
  628    H    ASP  80           H        ASP  80  -0.820   2.155   3.072
  629    HA   ASP  80           HA       ASP  80  -0.163   1.645   5.839
  630    HB2  ASP  80           2HB      ASP  80  -2.519   1.377   4.012
  631    HB3  ASP  80           1HB      ASP  80  -2.573   0.507   5.545
  632    H    PHE  81           H        PHE  81  -0.526  -0.447   2.978
  633    HA   PHE  81           HA       PHE  81  -0.408  -2.939   4.454
  634    HD1  PHE  81           HD2      PHE  81  -1.073  -5.215   3.365
  635    HD2  PHE  81           HD1      PHE  81   1.746  -3.478   0.630
  636    HE1  PHE  81           HE2      PHE  81  -0.128  -7.462   2.908
  637    HE2  PHE  81           HE1      PHE  81   2.687  -5.724   0.173
  638    HZ   PHE  81           HZ       PHE  81   1.751  -7.717   1.314
  639    HB2  PHE  81           2HB      PHE  81  -1.374  -2.866   2.251
  640    HB3  PHE  81           1HB      PHE  81   0.078  -2.127   1.575
  641    H    VAL  82           H        VAL  82   2.055  -0.917   2.808
  642    HA   VAL  82           HA       VAL  82   4.235  -2.761   3.240
  643    HB   VAL  82           HB       VAL  82   4.101   0.237   2.766
  644   HG11  VAL  82          1HG1      VAL  82   6.546  -0.398   1.884
  645   HG12  VAL  82          2HG1      VAL  82   6.406  -1.630   3.138
  646   HG13  VAL  82          3HG1      VAL  82   6.267   0.076   3.560
  647   HG21  VAL  82          3HG2      VAL  82   4.410  -0.276   0.477
  648   HG22  VAL  82          1HG2      VAL  82   3.257  -1.494   1.024
  649   HG23  VAL  82          2HG2      VAL  82   4.959  -1.915   0.830
  650    H    ARG  83           H        ARG  83   2.845  -0.115   5.172
  651    HA   ARG  83           HA       ARG  83   4.927  -0.047   7.178
  652    HE   ARG  83           HE       ARG  83   4.692   3.334   6.650
  653    HB2  ARG  83           2HB      ARG  83   3.006   1.616   6.587
  654    HB3  ARG  83           1HB      ARG  83   2.011   0.598   7.629
  655    HG2  ARG  83           2HG      ARG  83   3.016   1.345   9.524
  656    HG3  ARG  83           1HG      ARG  83   4.623   1.309   8.797
  657    HD2  ARG  83           2HD      ARG  83   2.632   3.424   7.965
  658    HD3  ARG  83           1HD      ARG  83   3.625   3.637   9.420
  659   HH11  ARG  83          2HH1      ARG  83   4.889   5.426   9.129
  660   HH12  ARG  83          1HH1      ARG  83   6.602   5.342   9.367
  661   HH21  ARG  83          1HH2      ARG  83   7.018   2.562   7.330
  662   HH22  ARG  83          2HH2      ARG  83   7.811   3.723   8.342
  663    H    LYS  84           H        LYS  84   1.864  -1.852   6.862
  664    HA   LYS  84           HA       LYS  84   1.886  -3.069   9.461
  665    HB2  LYS  84           2HB      LYS  84   0.084  -2.899   7.554
  666    HB3  LYS  84           1HB      LYS  84   0.818  -4.394   6.975
  667    HG2  LYS  84           2HG      LYS  84  -0.913  -5.130   8.410
  668    HG3  LYS  84           1HG      LYS  84   0.542  -5.250   9.398
  669    HD2  LYS  84           2HD      LYS  84  -1.220  -4.182  10.705
  670    HD3  LYS  84           1HD      LYS  84   0.039  -3.000  10.353
  671    HE2  LYS  84           2HE      LYS  84  -2.069  -1.906   9.914
  672    HE3  LYS  84           1HE      LYS  84  -1.379  -2.297   8.328
  673    HZ1  LYS  84           3HZ      LYS  84  -3.707  -3.019   8.527
  674    HZ2  LYS  84           1HZ      LYS  84  -3.284  -4.023   9.827
  675    HZ3  LYS  84           2HZ      LYS  84  -2.656  -4.330   8.276
  676    H    ALA  85           H        ALA  85   3.246  -4.106   6.322
  677    HA   ALA  85           HA       ALA  85   4.214  -6.665   7.275
  678    HB1  ALA  85           3HB      ALA  85   5.424  -5.075   5.019
  679    HB2  ALA  85           1HB      ALA  85   3.779  -5.698   4.873
  680    HB3  ALA  85           2HB      ALA  85   5.128  -6.810   5.109
  681    H    PHE  86           H        PHE  86   5.570  -3.390   7.109
  682    HA   PHE  86           HA       PHE  86   8.294  -4.039   7.755
  683    HD1  PHE  86           HD1      PHE  86  10.127  -2.345   8.526
  684    HD2  PHE  86           HD2      PHE  86   7.540  -1.019   5.364
  685    HE1  PHE  86           HE1      PHE  86  12.106  -1.801   7.133
  686    HE2  PHE  86           HE2      PHE  86   9.518  -0.480   3.971
  687    HZ   PHE  86           HZ       PHE  86  11.801  -0.869   4.856
  688    HB2  PHE  86           2HB      PHE  86   6.599  -1.736   7.365
  689    HB3  PHE  86           1HB      PHE  86   7.562  -1.495   8.820
  690    H    GLN  87           H        GLN  87   5.449  -3.241   9.773
  691    HA   GLN  87           HA       GLN  87   6.822  -3.227  12.303
  692    HB2  GLN  87           2HB      GLN  87   4.393  -2.503  11.422
  693    HB3  GLN  87           1HB      GLN  87   3.972  -4.097  12.050
  694    HG2  GLN  87           2HG      GLN  87   5.595  -2.187  13.720
  695    HG3  GLN  87           1HG      GLN  87   3.838  -2.050  13.661
  696   HE21  GLN  87          1HE2      GLN  87   6.244  -3.433  15.482
  697   HE22  GLN  87          2HE2      GLN  87   5.402  -4.774  16.093
  698    H    LYS  88           H        LYS  88   5.199  -5.815  10.451
  699    HA   LYS  88           HA       LYS  88   5.481  -7.830  12.526
  700    HB2  LYS  88           2HB      LYS  88   4.165  -7.489  10.066
  701    HB3  LYS  88           1HB      LYS  88   5.281  -8.826   9.795
  702    HG2  LYS  88           2HG      LYS  88   3.318  -9.857  10.634
  703    HG3  LYS  88           1HG      LYS  88   4.404  -9.779  12.022
  704    HD2  LYS  88           2HD      LYS  88   3.142  -7.358  12.208
  705    HD3  LYS  88           1HD      LYS  88   1.854  -8.365  11.545
  706    HE2  LYS  88           2HE      LYS  88   2.618 -10.071  13.415
  707    HE3  LYS  88           1HE      LYS  88   3.279  -8.614  14.181
  708    HZ1  LYS  88           3HZ      LYS  88   0.516  -8.768  13.102
  709    HZ2  LYS  88           1HZ      LYS  88   1.176  -7.554  14.085
  710    HZ3  LYS  88           2HZ      LYS  88   0.891  -9.102  14.724
  711    H    GLY  89           H        GLY  89   7.215  -7.252   9.438
  712    HA2  GLY  89           2HA      GLY  89   9.756  -7.391   9.699
  713    HA3  GLY  89           1HA      GLY  89   9.435  -8.942  10.468
  714    H    LEU  90           H        LEU  90   8.197  -7.367   7.494
  715    HA   LEU  90           HA       LEU  90   9.011  -9.831   6.000
  716    HG   LEU  90           HG       LEU  90   6.625 -10.413   7.306
  717    HB2  LEU  90           2HB      LEU  90   6.459  -8.269   6.140
  718    HB3  LEU  90           1HB      LEU  90   6.876  -9.041   4.611
  719   HD11  LEU  90          1HD1      LEU  90   4.574  -9.689   5.784
  720   HD12  LEU  90          2HD1      LEU  90   4.605 -11.271   6.562
  721   HD13  LEU  90          3HD1      LEU  90   5.045 -11.116   4.861
  722   HD21  LEU  90          3HD2      LEU  90   7.563 -11.375   4.596
  723   HD22  LEU  90          1HD2      LEU  90   6.895 -12.490   5.788
  724   HD23  LEU  90          2HD2      LEU  90   8.355 -11.573   6.160
  725    H    ILE  91           H        ILE  91   8.073  -6.388   5.539
  726    HA   ILE  91           HA       ILE  91   9.619  -6.272   3.036
  727    HB   ILE  91           HB       ILE  91   7.929  -4.310   4.619
  728   HG12  ILE  91          2HG1      ILE  91   7.524  -5.583   1.892
  729   HG13  ILE  91          1HG1      ILE  91   6.798  -6.186   3.382
  730   HG21  ILE  91          1HG2      ILE  91   9.608  -2.983   3.506
  731   HG22  ILE  91          2HG2      ILE  91   8.137  -2.871   2.538
  732   HG23  ILE  91          3HG2      ILE  91   9.452  -3.928   2.025
  733   HD11  ILE  91          3HD1      ILE  91   5.155  -4.786   2.321
  734   HD12  ILE  91          1HD1      ILE  91   6.332  -3.496   2.070
  735   HD13  ILE  91          2HD1      ILE  91   5.784  -3.885   3.701
  736    H    SER  92           H        SER  92  11.815  -6.268   3.428
  737    HA   SER  92           HA       SER  92  12.985  -4.820   5.705
  738    HG   SER  92           HG       SER  92  14.129  -7.992   4.744
  739    HB2  SER  92           2HB      SER  92  14.086  -6.389   3.358
  740    HB3  SER  92           1HB      SER  92  15.109  -5.676   4.599
  741    H    GLN  93           H        GLN  93  14.923  -3.322   5.148
  742    HA   GLN  93           HA       GLN  93  13.979  -1.084   3.600
  743    HB2  GLN  93           2HB      GLN  93  15.530  -1.127   5.624
  744    HB3  GLN  93           1HB      GLN  93  16.805  -1.664   4.531
  745    HG2  GLN  93           2HG      GLN  93  16.626   0.356   3.217
  746    HG3  GLN  93           1HG      GLN  93  15.190   0.865   4.106
  747   HE21  GLN  93          1HE2      GLN  93  15.666   2.427   5.654
  748   HE22  GLN  93          2HE2      GLN  93  17.126   2.542   6.510
  749    H    GLN  94           H        GLN  94  16.814  -3.237   3.045
  750    HA   GLN  94           HA       GLN  94  17.362  -2.257   0.402
  751    HB2  GLN  94           2HB      GLN  94  18.615  -3.840   2.217
  752    HB3  GLN  94           1HB      GLN  94  18.030  -5.070   1.096
  753    HG2  GLN  94           2HG      GLN  94  19.636  -2.620   0.299
  754    HG3  GLN  94           1HG      GLN  94  20.300  -4.243   0.483
  755   HE21  GLN  94          1HE2      GLN  94  19.117  -5.978  -0.936
  756   HE22  GLN  94          2HE2      GLN  94  18.628  -5.488  -2.484
  757    H    GLU  95           H        GLU  95  15.353  -4.956   1.580
  758    HA   GLU  95           HA       GLU  95  14.798  -6.289  -0.843
  759    HB2  GLU  95           2HB      GLU  95  13.480  -5.834   1.778
  760    HB3  GLU  95           1HB      GLU  95  12.442  -6.447   0.492
  761    HG2  GLU  95           2HG      GLU  95  15.099  -7.755   0.799
  762    HG3  GLU  95           1HG      GLU  95  13.909  -8.075   2.060
  763    H    ALA  96           H        ALA  96  13.222  -3.383   0.531
  764    HA   ALA  96           HA       ALA  96  11.230  -3.074  -1.513
  765    HB1  ALA  96           3HB      ALA  96  10.853  -1.799   0.401
  766    HB2  ALA  96           1HB      ALA  96  11.575  -0.572  -0.640
  767    HB3  ALA  96           2HB      ALA  96  12.558  -1.383   0.579
  768    H    ASN  97           H        ASN  97  14.563  -1.857  -1.193
  769    HA   ASN  97           HA       ASN  97  14.564  -0.264  -3.601
  770    HB2  ASN  97           2HB      ASN  97  16.147  -0.098  -1.654
  771    HB3  ASN  97           1HB      ASN  97  16.849  -1.641  -2.145
  772   HD21  ASN  97          1HD2      ASN  97  16.267   1.698  -3.356
  773   HD22  ASN  97          2HD2      ASN  97  17.585   1.698  -4.426
  774    H    GLN  98           H        GLN  98  15.440  -3.638  -2.858
  775    HA   GLN  98           HA       GLN  98  16.534  -4.340  -5.407
  776    HB2  GLN  98           2HB      GLN  98  16.379  -5.528  -3.022
  777    HB3  GLN  98           1HB      GLN  98  14.962  -6.286  -3.752
  778    HG2  GLN  98           2HG      GLN  98  16.255  -7.235  -5.520
  779    HG3  GLN  98           1HG      GLN  98  17.651  -6.230  -5.135
  780   HE21  GLN  98          1HE2      GLN  98  17.184  -9.315  -5.112
  781   HE22  GLN  98          2HE2      GLN  98  17.769  -9.788  -3.590
  782    H    TRP  99           H        TRP  99  13.188  -4.422  -4.148
  783    HA   TRP  99           HA       TRP  99  12.051  -5.609  -6.547
  784    HD1  TRP  99           HD1      TRP  99   9.973  -6.876  -6.726
  785    HE1  TRP  99           HE1      TRP  99   7.586  -6.519  -7.635
  786    HE3  TRP  99           HE3      TRP  99   8.768  -2.510  -4.371
  787    HZ2  TRP  99           HZ2      TRP  99   5.453  -4.634  -7.392
  788    HZ3  TRP  99           HZ3      TRP  99   6.560  -1.464  -4.718
  789    HH2  TRP  99           HH2      TRP  99   4.898  -2.515  -6.228
  790    HB2  TRP  99           2HB      TRP  99  11.029  -5.655  -4.268
  791    HB3  TRP  99           1HB      TRP  99  10.803  -3.911  -4.356
  792    H    LEU 100           H        LEU 100  12.511  -2.315  -5.317
  793    HA   LEU 100           HA       LEU 100  11.106  -0.929  -7.418
  794    HG   LEU 100           HG       LEU 100  12.252   1.431  -7.657
  795    HB2  LEU 100           2HB      LEU 100  11.861  -0.117  -5.103
  796    HB3  LEU 100           1HB      LEU 100  13.473   0.053  -5.797
  797   HD11  LEU 100          1HD1      LEU 100  10.266   2.646  -6.714
  798   HD12  LEU 100          2HD1      LEU 100  10.269   1.514  -5.362
  799   HD13  LEU 100          3HD1      LEU 100   9.966   0.932  -6.998
  800   HD21  LEU 100          3HD2      LEU 100  13.861   2.363  -6.030
  801   HD22  LEU 100          1HD2      LEU 100  12.575   2.498  -4.832
  802   HD23  LEU 100          2HD2      LEU 100  12.522   3.480  -6.295
  803    H    SER 101           H        SER 101  14.498  -1.926  -6.981
  804    HA   SER 101           HA       SER 101  15.491  -0.674  -9.397
  805    HG   SER 101           HG       SER 101  17.662  -3.047  -9.488
  806    HB2  SER 101           2HB      SER 101  16.918  -1.222  -7.485
  807    HB3  SER 101           1HB      SER 101  16.512  -2.929  -7.636
  808    H    SER 102           HN       SER 102  14.977  -4.134  -8.583
  809    HA   SER 102           HA       SER 102  14.406  -5.971  -9.944
  810    HG   SER 102           HG       SER 102  11.962  -5.961 -10.532
  811    HB2  SER 102           2HB      SER 102  12.718  -3.932 -10.534
  812    HB3  SER 102           1HB      SER 102  13.455  -4.170 -12.116
  Start of MODEL   14
    1    HA   GLU   1           HA       GLU   1  18.253   2.646  17.806
    2    H1   GLU   1           1H       GLU   1  20.386   2.249  19.064
    3    H2   GLU   1           2H       GLU   1  21.186   3.144  17.861
    4    H3   GLU   1           3H       GLU   1  20.387   1.699  17.461
    5    HB2  GLU   1           2HB      GLU   1  19.981   4.580  19.294
    6    HB3  GLU   1           1HB      GLU   1  18.479   5.198  18.606
    7    HG2  GLU   1           2HG      GLU   1  17.406   3.075  19.704
    8    HG3  GLU   1           1HG      GLU   1  18.864   3.071  20.699
    9    H    ALA   2           H        ALA   2  17.264   4.502  16.488
   10    HA   ALA   2           HA       ALA   2  18.913   4.938  14.050
   11    HB1  ALA   2           3HB      ALA   2  16.615   3.954  13.975
   12    HB2  ALA   2           1HB      ALA   2  16.737   5.447  13.045
   13    HB3  ALA   2           2HB      ALA   2  15.980   5.460  14.637
   14    H    TYR   3           H        TYR   3  19.872   6.902  13.713
   15    HA   TYR   3           HA       TYR   3  19.119   9.208  15.438
   16    HD1  TYR   3           HD1      TYR   3  21.260  11.440  13.172
   17    HD2  TYR   3           HD2      TYR   3  21.629   9.635  17.053
   18    HE1  TYR   3           HE1      TYR   3  21.875  13.639  14.136
   19    HE2  TYR   3           HE2      TYR   3  22.243  11.836  18.017
   20    HH   TYR   3           HH       TYR   3  23.397  14.190  16.632
   21    HB2  TYR   3           2HB      TYR   3  21.492   8.267  15.042
   22    HB3  TYR   3           1HB      TYR   3  21.384   9.000  13.442
   23    H    VAL   4           H        VAL   4  19.795   8.592  11.959
   24    HA   VAL   4           HA       VAL   4  18.162  11.000  11.266
   25    HB   VAL   4           HB       VAL   4  20.135   9.301   9.693
   26   HG11  VAL   4          1HG1      VAL   4  18.609  10.270   8.123
   27   HG12  VAL   4          2HG1      VAL   4  20.038  11.302   8.115
   28   HG13  VAL   4          3HG1      VAL   4  18.592  11.807   8.987
   29   HG21  VAL   4          3HG2      VAL   4  20.334  11.868  11.249
   30   HG22  VAL   4          1HG2      VAL   4  21.376  11.619   9.847
   31   HG23  VAL   4          2HG2      VAL   4  21.449  10.502  11.210
   32    H    GLN   5           H        GLN   5  16.548  10.778   9.555
   33    HA   GLN   5           HA       GLN   5  14.945   8.379   9.720
   34    HB2  GLN   5           2HB      GLN   5  14.490  10.956   9.104
   35    HB3  GLN   5           1HB      GLN   5  14.663  10.326   7.466
   36    HG2  GLN   5           2HG      GLN   5  12.672   9.249   7.556
   37    HG3  GLN   5           1HG      GLN   5  12.993   8.622   9.173
   38   HE21  GLN   5          1HE2      GLN   5  11.754   9.542  10.830
   39   HE22  GLN   5          2HE2      GLN   5  10.935  11.024  10.715
   40    H    GLY   6           H        GLY   6  14.242   7.255   7.573
   41    HA2  GLY   6           2HA      GLY   6  15.730   7.109   5.228
   42    HA3  GLY   6           1HA      GLY   6  16.600   6.070   6.358
   43    H    TRP   7           H        TRP   7  14.858   4.659   7.705
   44    HA   TRP   7           HA       TRP   7  13.773   2.712   5.943
   45    HD1  TRP   7           HD1      TRP   7  16.133   2.442   7.453
   46    HE1  TRP   7           HE1      TRP   7  17.032   0.045   7.772
   47    HE3  TRP   7           HE3      TRP   7  11.866   0.093   9.005
   48    HZ2  TRP   7           HZ2      TRP   7  16.072  -2.522   8.577
   49    HZ3  TRP   7           HZ3      TRP   7  11.892  -2.325   9.543
   50    HH2  TRP   7           HH2      TRP   7  13.985  -3.635   9.329
   51    HB2  TRP   7           2HB      TRP   7  13.634   3.442   8.822
   52    HB3  TRP   7           1HB      TRP   7  12.330   2.409   8.240
   53    H    GLU   8           H        GLU   8  12.190   5.490   7.544
   54    HA   GLU   8           HA       GLU   8   9.512   4.952   6.697
   55    HB2  GLU   8           2HB      GLU   8  10.386   6.597   8.437
   56    HB3  GLU   8           1HB      GLU   8  10.830   7.653   7.097
   57    HG2  GLU   8           2HG      GLU   8   8.137   6.785   6.677
   58    HG3  GLU   8           1HG      GLU   8   8.272   7.364   8.338
   59    H    ALA   9           H        ALA   9  12.187   6.709   5.129
   60    HA   ALA   9           HA       ALA   9  10.709   7.713   2.886
   61    HB1  ALA   9           3HB      ALA   9  13.630   6.914   3.107
   62    HB2  ALA   9           1HB      ALA   9  12.972   8.454   3.660
   63    HB3  ALA   9           2HB      ALA   9  12.950   8.050   1.943
   64    H    VAL  10           H        VAL  10  12.495   4.677   3.432
   65    HA   VAL  10           HA       VAL  10  12.223   3.596   0.789
   66    HB   VAL  10           HB       VAL  10  12.460   2.310   3.537
   67   HG11  VAL  10          1HG1      VAL  10  11.639   0.645   1.972
   68   HG12  VAL  10          2HG1      VAL  10  13.356   0.348   2.247
   69   HG13  VAL  10          3HG1      VAL  10  12.824   1.139   0.763
   70   HG21  VAL  10          3HG2      VAL  10  14.868   2.045   2.762
   71   HG22  VAL  10          1HG2      VAL  10  14.368   3.705   3.083
   72   HG23  VAL  10          2HG2      VAL  10  14.475   3.121   1.422
   73    H    ALA  11           H        ALA  11  10.178   3.382   3.700
   74    HA   ALA  11           HA       ALA  11   8.198   1.599   2.645
   75    HB1  ALA  11           3HB      ALA  11   6.822   2.681   4.501
   76    HB2  ALA  11           1HB      ALA  11   8.184   3.771   4.761
   77    HB3  ALA  11           2HB      ALA  11   8.383   2.037   5.011
   78    H    ALA  12           H        ALA  12   8.495   5.153   2.593
   79    HA   ALA  12           HA       ALA  12   5.950   5.723   1.410
   80    HB1  ALA  12           3HB      ALA  12   7.009   7.589   2.295
   81    HB2  ALA  12           1HB      ALA  12   7.468   7.780   0.602
   82    HB3  ALA  12           2HB      ALA  12   8.603   7.066   1.748
   83    H    ALA  13           H        ALA  13   9.151   5.025  -0.013
   84    HA   ALA  13           HA       ALA  13   8.442   5.469  -2.755
   85    HB1  ALA  13           3HB      ALA  13  10.444   3.532  -1.542
   86    HB2  ALA  13           1HB      ALA  13  10.745   5.254  -1.786
   87    HB3  ALA  13           2HB      ALA  13  10.496   4.197  -3.175
   88    H    VAL  14           H        VAL  14   8.293   2.572  -0.675
   89    HA   VAL  14           HA       VAL  14   7.464   0.702  -2.673
   90    HB   VAL  14           HB       VAL  14   6.884   0.872   0.309
   91   HG11  VAL  14          1HG1      VAL  14   6.420  -1.492   0.232
   92   HG12  VAL  14          2HG1      VAL  14   6.891  -1.586  -1.465
   93   HG13  VAL  14          3HG1      VAL  14   5.421  -0.727  -1.003
   94   HG21  VAL  14          3HG2      VAL  14   8.876  -1.060  -0.621
   95   HG22  VAL  14          1HG2      VAL  14   9.002   0.150   0.656
   96   HG23  VAL  14          2HG2      VAL  14   9.322   0.600  -1.019
   97    H    ALA  15           H        ALA  15   5.608   2.863  -0.524
   98    HA   ALA  15           HA       ALA  15   2.984   2.030  -1.321
   99    HB1  ALA  15           3HB      ALA  15   2.955   3.333   0.584
  100    HB2  ALA  15           1HB      ALA  15   2.667   4.616  -0.591
  101    HB3  ALA  15           2HB      ALA  15   4.293   4.341   0.032
  102    H    SER  16           H        SER  16   5.206   4.518  -2.585
  103    HA   SER  16           HA       SER  16   3.462   5.704  -4.510
  104    HG   SER  16           HG       SER  16   5.164   6.517  -6.383
  105    HB2  SER  16           2HB      SER  16   5.810   6.381  -3.626
  106    HB3  SER  16           1HB      SER  16   6.437   5.289  -4.858
  107    H    LYS  17           H        LYS  17   5.615   2.856  -4.702
  108    HA   LYS  17           HA       LYS  17   5.218   2.378  -7.514
  109    HB2  LYS  17           2HB      LYS  17   6.893   1.424  -5.634
  110    HB3  LYS  17           1HB      LYS  17   5.710   0.117  -5.622
  111    HG2  LYS  17           2HG      LYS  17   7.094  -0.633  -7.319
  112    HG3  LYS  17           1HG      LYS  17   5.956   0.329  -8.261
  113    HD2  LYS  17           2HD      LYS  17   7.704   2.271  -7.617
  114    HD3  LYS  17           1HD      LYS  17   8.800   0.891  -7.575
  115    HE2  LYS  17           2HE      LYS  17   8.935   1.040  -9.835
  116    HE3  LYS  17           1HE      LYS  17   7.233   0.542  -9.908
  117    HZ1  LYS  17           3HZ      LYS  17   6.604   2.872  -9.517
  118    HZ2  LYS  17           1HZ      LYS  17   7.487   2.692 -10.954
  119    HZ3  LYS  17           2HZ      LYS  17   8.242   3.322  -9.568
  120    H    ILE  18           H        ILE  18   3.465   1.340  -4.590
  121    HA   ILE  18           HA       ILE  18   1.756  -0.615  -5.739
  122    HB   ILE  18           HB       ILE  18   1.422   1.386  -3.487
  123   HG12  ILE  18          2HG1      ILE  18   3.165  -0.410  -3.284
  124   HG13  ILE  18          1HG1      ILE  18   1.903  -0.520  -2.060
  125   HG21  ILE  18          1HG2      ILE  18  -0.451  -0.152  -2.734
  126   HG22  ILE  18          2HG2      ILE  18  -0.405  -0.876  -4.340
  127   HG23  ILE  18          3HG2      ILE  18  -0.820   0.828  -4.153
  128   HD11  ILE  18          3HD1      ILE  18   2.020  -2.142  -4.624
  129   HD12  ILE  18          1HD1      ILE  18   0.744  -2.240  -3.409
  130   HD13  ILE  18          2HD1      ILE  18   2.386  -2.743  -3.007
  131    H    VAL  19           H        VAL  19   1.361   2.937  -5.540
  132    HA   VAL  19           HA       VAL  19  -1.268   3.026  -6.693
  133    HB   VAL  19           HB       VAL  19   1.021   5.008  -6.499
  134   HG11  VAL  19          1HG1      VAL  19  -0.093   6.346  -7.930
  135   HG12  VAL  19          2HG1      VAL  19  -1.440   6.371  -6.792
  136   HG13  VAL  19          3HG1      VAL  19  -1.396   5.167  -8.080
  137   HG21  VAL  19          3HG2      VAL  19  -0.491   5.996  -4.750
  138   HG22  VAL  19          1HG2      VAL  19   0.055   4.366  -4.353
  139   HG23  VAL  19          2HG2      VAL  19  -1.577   4.624  -4.971
  140    H    GLY  20           H        GLY  20   1.985   3.404  -8.172
  141    HA2  GLY  20           2HA      GLY  20   0.863   3.633 -10.867
  142    HA3  GLY  20           1HA      GLY  20   2.573   3.519 -10.466
  143    H    LEU  21           H        LEU  21   1.671   0.970  -8.822
  144    HA   LEU  21           HA       LEU  21   2.046  -0.899 -11.105
  145    HG   LEU  21           HG       LEU  21   1.901  -3.320  -9.649
  146    HB2  LEU  21           2HB      LEU  21   3.569  -0.860  -9.133
  147    HB3  LEU  21           1HB      LEU  21   2.204  -1.265  -8.095
  148   HD11  LEU  21          1HD1      LEU  21   4.721  -2.431 -10.322
  149   HD12  LEU  21          2HD1      LEU  21   3.385  -2.679 -11.448
  150   HD13  LEU  21          3HD1      LEU  21   4.113  -4.059 -10.626
  151   HD21  LEU  21          3HD2      LEU  21   4.394  -3.906  -8.318
  152   HD22  LEU  21          1HD2      LEU  21   2.759  -4.364  -7.844
  153   HD23  LEU  21          2HD2      LEU  21   3.433  -2.825  -7.310
  154    H    TRP  22           H        TRP  22  -0.380   0.050  -8.759
  155    HA   TRP  22           HA       TRP  22  -1.928  -2.350  -8.676
  156    HD1  TRP  22           HD1      TRP  22  -4.030  -2.955  -7.772
  157    HE1  TRP  22           HE1      TRP  22  -6.591  -2.743  -7.608
  158    HE3  TRP  22           HE3      TRP  22  -4.514   2.124  -8.015
  159    HZ2  TRP  22           HZ2      TRP  22  -8.586  -0.692  -7.586
  160    HZ3  TRP  22           HZ3      TRP  22  -6.753   3.178  -7.920
  161    HH2  TRP  22           HH2      TRP  22  -8.789   1.778  -7.706
  162    HB2  TRP  22           2HB      TRP  22  -2.182  -0.588  -7.047
  163    HB3  TRP  22           1HB      TRP  22  -2.565   0.590  -8.301
  164    H    ARG  23           H        ARG  23  -3.293  -3.214 -10.139
  165    HA   ARG  23           HA       ARG  23  -3.895  -1.752 -12.665
  166    HE   ARG  23           HE       ARG  23  -1.896  -3.816 -16.194
  167    HB2  ARG  23           2HB      ARG  23  -2.840  -4.165 -12.285
  168    HB3  ARG  23           1HB      ARG  23  -4.527  -4.641 -12.097
  169    HG2  ARG  23           2HG      ARG  23  -5.033  -4.213 -14.305
  170    HG3  ARG  23           1HG      ARG  23  -3.855  -2.907 -14.431
  171    HD2  ARG  23           2HD      ARG  23  -2.121  -4.914 -14.094
  172    HD3  ARG  23           1HD      ARG  23  -3.459  -5.852 -14.787
  173   HH11  ARG  23          1HH2      ARG  23  -4.663  -2.824 -16.513
  174   HH12  ARG  23          2HH2      ARG  23  -5.235  -3.701 -17.894
  175   HH21  ARG  23          2HH1      ARG  23  -2.723  -6.103 -17.733
  176   HH22  ARG  23          1HH1      ARG  23  -4.129  -5.565 -18.588
  177    H    ASN  24           H        ASN  24  -6.283  -3.183 -13.308
  178    HA   ASN  24           HA       ASN  24  -8.354  -1.669 -12.202
  179    HB2  ASN  24           2HB      ASN  24  -8.036  -4.238 -13.634
  180    HB3  ASN  24           1HB      ASN  24  -9.547  -4.093 -12.736
  181   HD21  ASN  24          1HD2      ASN  24  -7.620  -1.616 -14.551
  182   HD22  ASN  24          2HD2      ASN  24  -8.912  -1.140 -15.541
  183    H    GLU  25           H        GLU  25  -7.189  -4.868 -11.059
  184    HA   GLU  25           HA       GLU  25  -8.021  -4.218  -8.305
  185    HB2  GLU  25           2HB      GLU  25  -9.529  -6.185  -8.167
  186    HB3  GLU  25           1HB      GLU  25 -10.088  -5.032  -9.376
  187    HG2  GLU  25           2HG      GLU  25 -10.131  -6.773 -10.824
  188    HG3  GLU  25           1HG      GLU  25  -8.371  -6.694 -10.812
  189    H    LYS  26           H        LYS  26  -5.498  -5.006  -9.785
  190    HA   LYS  26           HA       LYS  26  -4.658  -7.159  -7.920
  191    HB2  LYS  26           2HB      LYS  26  -5.554  -8.208  -9.990
  192    HB3  LYS  26           1HB      LYS  26  -4.386  -7.292 -10.940
  193    HG2  LYS  26           2HG      LYS  26  -2.599  -8.564 -10.241
  194    HG3  LYS  26           1HG      LYS  26  -3.316  -8.898  -8.665
  195    HD2  LYS  26           2HD      LYS  26  -4.581 -10.040 -11.140
  196    HD3  LYS  26           1HD      LYS  26  -3.162 -10.823 -10.443
  197    HE2  LYS  26           2HE      LYS  26  -4.448 -11.773  -8.842
  198    HE3  LYS  26           1HE      LYS  26  -5.023 -10.176  -8.328
  199    HZ1  LYS  26           3HZ      LYS  26  -6.039 -11.547 -10.757
  200    HZ2  LYS  26           1HZ      LYS  26  -6.691 -10.185  -9.980
  201    HZ3  LYS  26           2HZ      LYS  26  -6.778 -11.710  -9.237
  202    H    THR  27           H        THR  27  -2.314  -7.316  -7.759
  203    HA   THR  27           HA       THR  27  -0.658  -5.346  -9.207
  204    HB   THR  27           HB       THR  27  -1.770  -4.198  -7.245
  205    HG1  THR  27           HG1      THR  27   0.019  -3.177  -7.738
  206   HG21  THR  27          3HG2      THR  27   0.099  -5.758  -5.483
  207   HG22  THR  27          1HG2      THR  27  -1.515  -6.378  -5.829
  208   HG23  THR  27          2HG2      THR  27  -1.323  -4.816  -5.033
  209    H    GLU  28           H        GLU  28   1.539  -5.969  -9.198
  210    HA   GLU  28           HA       GLU  28   2.098  -8.669  -8.037
  211    HB2  GLU  28           2HB      GLU  28   2.635  -7.281 -10.502
  212    HB3  GLU  28           1HB      GLU  28   4.170  -7.723  -9.758
  213    HG2  GLU  28           2HG      GLU  28   1.910  -9.712  -9.993
  214    HG3  GLU  28           1HG      GLU  28   3.052  -9.465 -11.311
  215    H    LEU  29           H        LEU  29   2.983  -8.420  -5.973
  216    HA   LEU  29           HA       LEU  29   5.041  -6.267  -5.604
  217    HG   LEU  29           HG       LEU  29   1.722  -6.849  -4.719
  218    HB2  LEU  29           2HB      LEU  29   3.516  -7.724  -3.441
  219    HB3  LEU  29           1HB      LEU  29   4.320  -6.164  -3.337
  220   HD11  LEU  29          1HD1      LEU  29   1.562  -6.200  -2.388
  221   HD12  LEU  29          2HD1      LEU  29   0.971  -4.866  -3.379
  222   HD13  LEU  29          3HD1      LEU  29   2.583  -4.789  -2.668
  223   HD21  LEU  29          3HD2      LEU  29   2.336  -4.080  -5.067
  224   HD22  LEU  29          1HD2      LEU  29   2.081  -5.295  -6.317
  225   HD23  LEU  29          2HD2      LEU  29   3.702  -5.001  -5.690
  226    H    LEU  30           H        LEU  30   7.127  -6.941  -5.216
  227    HA   LEU  30           HA       LEU  30   8.963  -8.341  -4.720
  228    HG   LEU  30           HG       LEU  30   9.858  -9.753  -3.268
  229    HB2  LEU  30           2HB      LEU  30   7.320  -8.410  -2.623
  230    HB3  LEU  30           1HB      LEU  30   7.120 -10.085  -3.123
  231   HD11  LEU  30          1HD1      LEU  30   8.728  -7.805  -1.370
  232   HD12  LEU  30          2HD1      LEU  30  10.341  -7.880  -2.079
  233   HD13  LEU  30          3HD1      LEU  30   9.953  -8.859  -0.665
  234   HD21  LEU  30          3HD2      LEU  30   7.970 -10.876  -1.218
  235   HD22  LEU  30          1HD2      LEU  30   9.703 -10.889  -0.896
  236   HD23  LEU  30          2HD2      LEU  30   9.061 -11.728  -2.309
  237    H    GLY  31           H        GLY  31   7.098  -9.027  -7.013
  238    HA2  GLY  31           2HA      GLY  31   7.136 -10.726  -8.657
  239    HA3  GLY  31           1HA      GLY  31   8.241 -11.638  -7.628
  240    H    HIS  32           H        HIS  32   5.276 -10.518  -6.198
  241    HA   HIS  32           HA       HIS  32   4.162 -13.296  -6.316
  242    HD1  HIS  32           HD1      HIS  32   5.352 -14.676  -5.060
  243    HD2  HIS  32           HD2      HIS  32   6.308 -11.534  -2.494
  244    HE1  HIS  32           HE1      HIS  32   7.508 -15.327  -3.902
  245    HB2  HIS  32           2HB      HIS  32   4.130 -11.174  -4.144
  246    HB3  HIS  32           1HB      HIS  32   3.276 -12.706  -4.042
  247    H    GLU  33           H        GLU  33   1.794 -13.395  -6.376
  248    HA   GLU  33           HA       GLU  33   0.580 -11.095  -7.772
  249    HB2  GLU  33           2HB      GLU  33   0.371 -13.771  -8.073
  250    HB3  GLU  33           1HB      GLU  33  -0.990 -13.507  -6.982
  251    HG2  GLU  33           2HG      GLU  33  -1.648 -11.584  -8.586
  252    HG3  GLU  33           1HG      GLU  33  -0.533 -12.336  -9.727
  253    H    CYS  34           H        CYS  34  -0.285  -9.487  -6.553
  254    HA   CYS  34           HA       CYS  34  -1.536 -10.166  -3.912
  255    HB2  CYS  34           2HB      CYS  34   0.033  -7.824  -4.978
  256    HB3  CYS  34           1HB      CYS  34  -1.034  -7.618  -3.592
  257    H    LYS  35           H        LYS  35  -3.271  -8.428  -3.358
  258    HA   LYS  35           HA       LYS  35  -4.805  -7.666  -5.806
  259    HB2  LYS  35           2HB      LYS  35  -5.502  -9.814  -4.600
  260    HB3  LYS  35           1HB      LYS  35  -6.020  -8.775  -3.273
  261    HG2  LYS  35           2HG      LYS  35  -7.981  -8.561  -4.383
  262    HG3  LYS  35           1HG      LYS  35  -7.102  -7.541  -5.519
  263    HD2  LYS  35           2HD      LYS  35  -7.008  -9.170  -7.122
  264    HD3  LYS  35           1HD      LYS  35  -6.842 -10.468  -5.938
  265    HE2  LYS  35           2HE      LYS  35  -9.250 -10.257  -5.371
  266    HE3  LYS  35           1HE      LYS  35  -9.413  -8.982  -6.596
  267    HZ1  LYS  35           3HZ      LYS  35  -8.477 -11.765  -7.076
  268    HZ2  LYS  35           1HZ      LYS  35  -8.533 -10.541  -8.251
  269    HZ3  LYS  35           2HZ      LYS  35  -9.973 -11.118  -7.556
  270    H    PHE  36           H        PHE  36  -4.754  -5.475  -5.723
  271    HA   PHE  36           HA       PHE  36  -5.275  -4.090  -3.115
  272    HD1  PHE  36           HD2      PHE  36  -5.455  -0.960  -5.443
  273    HD2  PHE  36           HD1      PHE  36  -2.774  -2.375  -2.401
  274    HE1  PHE  36           HE2      PHE  36  -5.505   1.269  -4.364
  275    HE2  PHE  36           HE1      PHE  36  -2.824  -0.142  -1.322
  276    HZ   PHE  36           HZ       PHE  36  -4.191   1.677  -2.302
  277    HB2  PHE  36           2HB      PHE  36  -3.140  -3.663  -4.417
  278    HB3  PHE  36           1HB      PHE  36  -4.133  -3.045  -5.732
  279    H    THR  37           H        THR  37  -7.178  -2.791  -3.021
  280    HA   THR  37           HA       THR  37  -8.681  -2.366  -5.565
  281    HB   THR  37           HB       THR  37 -10.734  -3.209  -4.234
  282    HG1  THR  37           HG1      THR  37  -8.684  -4.500  -2.756
  283   HG21  THR  37          3HG2      THR  37  -8.741  -5.396  -4.750
  284   HG22  THR  37          1HG2      THR  37  -9.314  -4.397  -6.085
  285   HG23  THR  37          2HG2      THR  37 -10.460  -5.345  -5.137
  286    H    VAL  38           H        VAL  38 -10.240  -0.682  -5.465
  287    HA   VAL  38           HA       VAL  38 -10.251   1.009  -2.994
  288    HB   VAL  38           HB       VAL  38  -9.876   1.866  -5.886
  289   HG11  VAL  38          1HG1      VAL  38 -11.221   3.521  -4.742
  290   HG12  VAL  38          2HG1      VAL  38  -9.576   4.146  -4.851
  291   HG13  VAL  38          3HG1      VAL  38 -10.164   3.473  -3.330
  292   HG21  VAL  38          3HG2      VAL  38  -7.700   2.768  -4.931
  293   HG22  VAL  38          1HG2      VAL  38  -7.807   1.009  -4.996
  294   HG23  VAL  38          2HG2      VAL  38  -8.050   1.851  -3.466
  295    H    LYS  39           H        LYS  39 -12.376   1.301  -2.368
  296    HA   LYS  39           HA       LYS  39 -14.459   1.483  -4.507
  297    HB2  LYS  39           2HB      LYS  39 -14.213  -0.830  -3.486
  298    HB3  LYS  39           1HB      LYS  39 -14.730  -0.124  -1.953
  299    HG2  LYS  39           2HG      LYS  39 -16.856   0.533  -2.887
  300    HG3  LYS  39           1HG      LYS  39 -16.337   0.085  -4.512
  301    HD2  LYS  39           2HD      LYS  39 -15.923  -2.274  -3.319
  302    HD3  LYS  39           1HD      LYS  39 -17.176  -1.662  -2.240
  303    HE2  LYS  39           2HE      LYS  39 -17.659  -1.372  -5.180
  304    HE3  LYS  39           1HE      LYS  39 -17.807  -2.995  -4.481
  305    HZ1  LYS  39           3HZ      LYS  39 -19.084  -0.567  -3.330
  306    HZ2  LYS  39           1HZ      LYS  39 -19.311  -2.173  -2.831
  307    HZ3  LYS  39           2HZ      LYS  39 -19.887  -1.666  -4.348
  308    HA   PRO  40           HA       PRO  40 -15.383   4.885  -1.740
  309    HB2  PRO  40           2HB      PRO  40 -16.959   6.252  -3.498
  310    HB3  PRO  40           1HB      PRO  40 -15.188   6.283  -3.574
  311    HG2  PRO  40           2HG      PRO  40 -17.126   4.831  -5.269
  312    HG3  PRO  40           1HG      PRO  40 -15.531   5.476  -5.673
  313    HD2  PRO  40           2HD      PRO  40 -16.137   2.802  -5.140
  314    HD3  PRO  40           1HD      PRO  40 -14.513   3.518  -5.182
  315    H    TYR  41           H        TYR  41 -17.358   5.615  -0.685
  316    HA   TYR  41           HA       TYR  41 -19.809   3.992  -1.228
  317    HD1  TYR  41           HD1      TYR  41 -19.763   1.692  -0.550
  318    HD2  TYR  41           HD2      TYR  41 -16.585   3.417   1.770
  319    HE1  TYR  41           HE1      TYR  41 -18.433  -0.385  -0.825
  320    HE2  TYR  41           HE2      TYR  41 -15.260   1.341   1.494
  321    HH   TYR  41           HH       TYR  41 -16.236  -1.400   0.888
  322    HB2  TYR  41           2HB      TYR  41 -18.558   4.631   1.463
  323    HB3  TYR  41           1HB      TYR  41 -20.034   3.712   1.209
  324    H    LEU  42           H        LEU  42 -21.473   5.105   0.606
  325    HA   LEU  42           HA       LEU  42 -21.285   8.062   0.193
  326    HG   LEU  42           HG       LEU  42 -22.746   9.249  -0.616
  327    HB2  LEU  42           2HB      LEU  42 -22.782   6.550  -1.401
  328    HB3  LEU  42           1HB      LEU  42 -23.913   6.648  -0.049
  329   HD11  LEU  42          1HD1      LEU  42 -22.579   8.360  -2.913
  330   HD12  LEU  42          2HD1      LEU  42 -23.827   9.602  -2.803
  331   HD13  LEU  42          3HD1      LEU  42 -24.280   7.898  -2.858
  332   HD21  LEU  42          3HD2      LEU  42 -24.847   8.693   0.677
  333   HD22  LEU  42          1HD2      LEU  42 -25.607   8.272  -0.857
  334   HD23  LEU  42          2HD2      LEU  42 -25.067   9.925  -0.565
  335    H    LYS  43           H        LYS  43 -22.287   9.310   1.807
  336    HA   LYS  43           HA       LYS  43 -23.242   7.832   4.236
  337    HB2  LYS  43           2HB      LYS  43 -20.910   8.962   4.197
  338    HB3  LYS  43           1HB      LYS  43 -21.795  10.488   4.204
  339    HG2  LYS  43           2HG      LYS  43 -22.294  10.297   6.399
  340    HG3  LYS  43           1HG      LYS  43 -22.816   8.625   6.207
  341    HD2  LYS  43           2HD      LYS  43 -20.033   8.535   5.893
  342    HD3  LYS  43           1HD      LYS  43 -20.296   9.655   7.230
  343    HE2  LYS  43           2HE      LYS  43 -21.498   6.865   7.036
  344    HE3  LYS  43           1HE      LYS  43 -20.120   7.317   8.056
  345    HZ1  LYS  43           3HZ      LYS  43 -22.927   8.251   8.240
  346    HZ2  LYS  43           1HZ      LYS  43 -21.659   9.148   8.925
  347    HZ3  LYS  43           2HZ      LYS  43 -21.959   7.563   9.456
  348    H    ARG  44           H        ARG  44 -24.414   9.599   5.708
  349    HA   ARG  44           HA       ARG  44 -26.906  10.255   4.883
  350    HE   ARG  44           HE       ARG  44 -28.030   8.580   9.043
  351    HB2  ARG  44           2HB      ARG  44 -24.985  11.897   6.555
  352    HB3  ARG  44           1HB      ARG  44 -26.717  12.221   6.483
  353    HG2  ARG  44           2HG      ARG  44 -25.794   9.435   7.103
  354    HG3  ARG  44           1HG      ARG  44 -25.735  10.656   8.373
  355    HD2  ARG  44           2HD      ARG  44 -28.048  10.885   8.452
  356    HD3  ARG  44           1HD      ARG  44 -28.255  10.397   6.757
  357   HH11  ARG  44          1HH2      ARG  44 -29.458   8.527   6.194
  358   HH12  ARG  44          2HH2      ARG  44 -28.747   7.077   5.568
  359   HH21  ARG  44          2HH1      ARG  44 -26.277   6.922   8.007
  360   HH22  ARG  44          1HH1      ARG  44 -26.942   6.165   6.599
  361    H    PHE  45           H        PHE  45 -24.098  12.394   4.327
  362    HA   PHE  45           HA       PHE  45 -25.394  13.487   1.913
  363    HD1  PHE  45           HD2      PHE  45 -22.858  15.896   4.220
  364    HD2  PHE  45           HD1      PHE  45 -26.522  14.320   5.816
  365    HE1  PHE  45           HE2      PHE  45 -21.939  16.086   6.516
  366    HE2  PHE  45           HE1      PHE  45 -25.603  14.509   8.111
  367    HZ   PHE  45           HZ       PHE  45 -23.312  15.392   8.462
  368    HB2  PHE  45           2HB      PHE  45 -25.035  15.853   2.895
  369    HB3  PHE  45           1HB      PHE  45 -26.394  14.924   3.520
  370    H    GLN  46           H        GLN  46 -22.930  11.963   2.375
  371    HA   GLN  46           HA       GLN  46 -21.035  13.825   1.071
  372    HB2  GLN  46           2HB      GLN  46 -20.996  13.145   3.897
  373    HB3  GLN  46           1HB      GLN  46 -19.505  12.632   3.108
  374    HG2  GLN  46           2HG      GLN  46 -19.399  14.954   2.066
  375    HG3  GLN  46           1HG      GLN  46 -20.695  15.412   3.170
  376   HE21  GLN  46          1HE2      GLN  46 -19.869  16.413   5.012
  377   HE22  GLN  46          2HE2      GLN  46 -18.403  16.011   5.766
  378    H    VAL  47           H        VAL  47 -19.562  12.717  -0.234
  379    HA   VAL  47           HA       VAL  47 -19.900   9.761  -0.421
  380    HB   VAL  47           HB       VAL  47 -18.600  11.837  -2.224
  381   HG11  VAL  47          1HG1      VAL  47 -19.156   8.882  -2.639
  382   HG12  VAL  47          2HG1      VAL  47 -17.571   9.654  -2.566
  383   HG13  VAL  47          3HG1      VAL  47 -18.654   9.992  -3.915
  384   HG21  VAL  47          3HG2      VAL  47 -21.252  10.364  -2.377
  385   HG22  VAL  47          1HG2      VAL  47 -20.602  11.392  -3.654
  386   HG23  VAL  47          2HG2      VAL  47 -21.033  12.091  -2.093
  387    H    TYR  48           H        TYR  48 -18.335   8.478   0.489
  388    HA   TYR  48           HA       TYR  48 -15.695   9.719   1.158
  389    HD1  TYR  48           HD2      TYR  48 -14.767   9.577   3.907
  390    HD2  TYR  48           HD1      TYR  48 -18.980   9.229   3.137
  391    HE1  TYR  48           HE2      TYR  48 -15.221  11.367   5.562
  392    HE2  TYR  48           HE1      TYR  48 -19.431  11.019   4.790
  393    HH   TYR  48           HH       TYR  48 -17.600  13.146   5.734
  394    HB2  TYR  48           2HB      TYR  48 -17.427   7.547   2.328
  395    HB3  TYR  48           1HB      TYR  48 -15.710   7.621   2.724
  396    H    TYR  49           H        TYR  49 -13.765   8.565   0.662
  397    HA   TYR  49           HA       TYR  49 -14.074   6.417  -1.404
  398    HD1  TYR  49           HD2      TYR  49 -14.350   8.923  -3.104
  399    HD2  TYR  49           HD1      TYR  49 -10.958   6.289  -3.174
  400    HE1  TYR  49           HE2      TYR  49 -14.641   8.612  -5.547
  401    HE2  TYR  49           HE1      TYR  49 -11.246   5.981  -5.616
  402    HH   TYR  49           HH       TYR  49 -13.849   6.497  -7.240
  403    HB2  TYR  49           2HB      TYR  49 -12.624   8.858  -1.250
  404    HB3  TYR  49           1HB      TYR  49 -11.437   7.558  -1.223
  405    H    LYS  50           H        LYS  50 -13.288   4.387  -0.869
  406    HA   LYS  50           HA       LYS  50 -11.425   4.184   1.475
  407    HB2  LYS  50           2HB      LYS  50 -13.842   3.611   1.936
  408    HB3  LYS  50           1HB      LYS  50 -13.692   2.302   0.764
  409    HG2  LYS  50           2HG      LYS  50 -12.113   1.138   2.087
  410    HG3  LYS  50           1HG      LYS  50 -11.766   2.558   3.074
  411    HD2  LYS  50           2HD      LYS  50 -13.435   2.066   4.503
  412    HD3  LYS  50           1HD      LYS  50 -14.590   1.885   3.183
  413    HE2  LYS  50           2HE      LYS  50 -13.679  -0.423   2.766
  414    HE3  LYS  50           1HE      LYS  50 -12.673  -0.236   4.216
  415    HZ1  LYS  50           3HZ      LYS  50 -15.633   0.062   4.120
  416    HZ2  LYS  50           1HZ      LYS  50 -14.663   0.241   5.501
  417    HZ3  LYS  50           2HZ      LYS  50 -14.799  -1.278   4.753
  418    H    GLY  51           H        GLY  51 -10.071   2.221   1.426
  419    HA2  GLY  51           2HA      GLY  51 -10.003   0.688  -1.080
  420    HA3  GLY  51           1HA      GLY  51  -8.595   1.702  -0.785
  421    H    ARG  52           H        ARG  52  -9.020  -1.299  -0.823
  422    HA   ARG  52           HA       ARG  52  -7.643  -1.874   1.767
  423    HE   ARG  52           HE       ARG  52 -10.071  -5.460   4.588
  424    HB2  ARG  52           2HB      ARG  52 -10.291  -2.452   1.195
  425    HB3  ARG  52           1HB      ARG  52  -9.473  -3.956   0.772
  426    HG2  ARG  52           2HG      ARG  52  -8.584  -2.723   3.306
  427    HG3  ARG  52           1HG      ARG  52 -10.247  -3.306   3.306
  428    HD2  ARG  52           2HD      ARG  52  -8.560  -5.261   2.009
  429    HD3  ARG  52           1HD      ARG  52  -7.906  -4.871   3.611
  430   HH11  ARG  52          1HH2      ARG  52  -9.478  -7.957   3.146
  431   HH12  ARG  52          2HH2      ARG  52 -10.903  -8.216   2.198
  432   HH21  ARG  52          2HH1      ARG  52 -12.036  -4.948   2.532
  433   HH22  ARG  52          1HH1      ARG  52 -12.360  -6.508   1.854
  434    H    MET  53           H        MET  53  -6.109  -3.642   1.590
  435    HA   MET  53           HA       MET  53  -5.843  -4.931  -1.083
  436    HB2  MET  53           2HB      MET  53  -3.675  -4.091  -1.454
  437    HB3  MET  53           1HB      MET  53  -4.543  -2.702  -0.808
  438    HG2  MET  53           2HG      MET  53  -3.658  -3.265   1.465
  439    HG3  MET  53           1HG      MET  53  -2.705  -4.556   0.735
  440    HE1  MET  53           3HE      MET  53  -1.407  -4.037  -1.547
  441    HE2  MET  53           1HE      MET  53  -0.369  -4.244  -0.131
  442    HE3  MET  53           2HE      MET  53  -0.031  -2.967  -1.295
  443    H    TRP  54           H        TRP  54  -4.484  -6.819  -1.063
  444    HA   TRP  54           HA       TRP  54  -3.254  -7.815   1.386
  445    HD1  TRP  54           HD1      TRP  54  -5.070 -11.295  -0.147
  446    HE1  TRP  54           HE1      TRP  54  -6.914 -11.619  -1.918
  447    HE3  TRP  54           HE3      TRP  54  -7.507  -6.823   0.284
  448    HZ2  TRP  54           HZ2      TRP  54  -9.130 -10.171  -3.009
  449    HZ3  TRP  54           HZ3      TRP  54  -9.478  -6.324  -1.133
  450    HH2  TRP  54           HH2      TRP  54 -10.291  -7.991  -2.778
  451    HB2  TRP  54           2HB      TRP  54  -4.861  -9.546   1.877
  452    HB3  TRP  54           1HB      TRP  54  -5.757  -8.037   1.751
  453    H    CYS  55           H        CYS  55  -2.368 -10.069   1.026
  454    HA   CYS  55           HA       CYS  55  -2.064 -10.691  -1.892
  455    HB2  CYS  55           2HB      CYS  55  -0.001 -10.683   0.331
  456    HB3  CYS  55           1HB      CYS  55   0.309 -11.235  -1.312
  457    HA   PRO  56           HA       PRO  56  -3.505 -14.517   0.119
  458    HB2  PRO  56           2HB      PRO  56  -4.749 -15.516  -2.104
  459    HB3  PRO  56           1HB      PRO  56  -5.513 -14.337  -1.021
  460    HG2  PRO  56           2HG      PRO  56  -4.236 -13.924  -3.670
  461    HG3  PRO  56           1HG      PRO  56  -5.651 -13.132  -2.960
  462    HD2  PRO  56           2HD      PRO  56  -3.146 -12.012  -3.087
  463    HD3  PRO  56           1HD      PRO  56  -4.390 -11.551  -1.919
  464    H    GLY  57           H        GLY  57  -1.177 -15.134   0.151
  465    HA2  GLY  57           2HA      GLY  57  -0.339 -17.459  -0.811
  466    HA3  GLY  57           1HA      GLY  57  -0.182 -16.505  -2.284
  467    H    TRP  58           H        TRP  58   0.750 -14.077  -1.223
  468    HA   TRP  58           HA       TRP  58   3.556 -14.655  -0.859
  469    HD1  TRP  58           HD1      TRP  58   5.272 -13.663   0.043
  470    HE1  TRP  58           HE1      TRP  58   7.033 -11.837   0.489
  471    HE3  TRP  58           HE3      TRP  58   2.592  -9.516  -1.262
  472    HZ2  TRP  58           HZ2      TRP  58   7.275  -8.992   0.310
  473    HZ3  TRP  58           HZ3      TRP  58   3.613  -7.264  -1.115
  474    HH2  TRP  58           HH2      TRP  58   5.949  -6.996  -0.333
  475    HB2  TRP  58           2HB      TRP  58   2.645 -12.649  -1.982
  476    HB3  TRP  58           1HB      TRP  58   1.924 -12.122  -0.468
  477    H    THR  59           H        THR  59   1.248 -13.004   1.338
  478    HA   THR  59           HA       THR  59   2.446 -14.395   3.654
  479    HB   THR  59           HB       THR  59   3.863 -12.421   3.251
  480    HG1  THR  59           HG1      THR  59   3.789 -12.595   5.352
  481   HG21  THR  59          3HG2      THR  59   2.178 -10.258   3.882
  482   HG22  THR  59          1HG2      THR  59   1.302 -11.197   2.672
  483   HG23  THR  59          2HG2      THR  59   2.924 -10.601   2.322
  484    H    ALA  60           H        ALA  60   1.254 -13.056   5.691
  485    HA   ALA  60           HA       ALA  60  -1.670 -13.187   5.045
  486    HB1  ALA  60           3HB      ALA  60  -0.174 -13.806   7.615
  487    HB2  ALA  60           1HB      ALA  60  -0.730 -15.011   6.454
  488    HB3  ALA  60           2HB      ALA  60  -1.902 -14.039   7.345
  489    H    ILE  61           H        ILE  61  -0.181 -10.743   4.776
  490    HA   ILE  61           HA       ILE  61  -1.188  -9.158   7.112
  491    HB   ILE  61           HB       ILE  61   1.372  -9.471   6.374
  492   HG12  ILE  61          2HG1      ILE  61   0.523  -6.669   7.037
  493   HG13  ILE  61          1HG1      ILE  61   0.179  -7.971   8.177
  494   HG21  ILE  61          1HG2      ILE  61   0.508  -7.036   4.785
  495   HG22  ILE  61          2HG2      ILE  61   0.903  -8.597   4.066
  496   HG23  ILE  61          3HG2      ILE  61   2.142  -7.685   4.927
  497   HD11  ILE  61          3HD1      ILE  61   2.285  -7.444   8.924
  498   HD12  ILE  61          1HD1      ILE  61   2.795  -6.812   7.360
  499   HD13  ILE  61          2HD1      ILE  61   2.753  -8.552   7.634
  500    H    ARG  62           H        ARG  62  -2.189  -7.080   6.561
  501    HA   ARG  62           HA       ARG  62  -2.898  -6.759   3.675
  502    HE   ARG  62           HE       ARG  62  -3.868 -11.150   5.573
  503    HB2  ARG  62           2HB      ARG  62  -4.705  -6.807   6.098
  504    HB3  ARG  62           1HB      ARG  62  -5.228  -6.249   4.516
  505    HG2  ARG  62           2HG      ARG  62  -5.758  -8.402   4.085
  506    HG3  ARG  62           1HG      ARG  62  -4.022  -8.682   3.949
  507    HD2  ARG  62           2HD      ARG  62  -4.062  -8.994   6.526
  508    HD3  ARG  62           1HD      ARG  62  -5.818  -9.171   6.332
  509   HH11  ARG  62          2HH1      ARG  62  -6.933 -11.367   6.002
  510   HH12  ARG  62          1HH1      ARG  62  -7.426 -11.934   4.442
  511   HH21  ARG  62          1HH2      ARG  62  -4.409 -11.121   2.912
  512   HH22  ARG  62          2HH2      ARG  62  -5.990 -11.789   2.680
  513    H    GLY  63           H        GLY  63  -4.004  -4.595   3.329
  514    HA2  GLY  63           2HA      GLY  63  -3.111  -2.484   5.218
  515    HA3  GLY  63           1HA      GLY  63  -2.599  -2.367   3.536
  516    H    GLU  64           H        GLU  64  -4.777  -1.084   5.530
  517    HA   GLU  64           HA       GLU  64  -6.802  -0.755   3.354
  518    HB2  GLU  64           2HB      GLU  64  -7.595  -0.877   6.249
  519    HB3  GLU  64           1HB      GLU  64  -8.549  -1.262   4.824
  520    HG2  GLU  64           2HG      GLU  64  -7.240  -3.306   4.460
  521    HG3  GLU  64           1HG      GLU  64  -6.219  -2.916   5.842
  522    H    ALA  65           H        ALA  65  -7.896   1.287   3.399
  523    HA   ALA  65           HA       ALA  65  -7.393   3.297   5.441
  524    HB1  ALA  65           3HB      ALA  65  -5.964   4.735   3.974
  525    HB2  ALA  65           1HB      ALA  65  -5.889   3.413   2.809
  526    HB3  ALA  65           2HB      ALA  65  -5.180   3.219   4.413
  527    H    SER  66           H        SER  66  -8.337   5.440   4.786
  528    HA   SER  66           HA       SER  66 -10.016   5.449   2.350
  529    HG   SER  66           HG       SER  66 -10.821   4.061   5.563
  530    HB2  SER  66           2HB      SER  66 -11.955   6.097   4.078
  531    HB3  SER  66           1HB      SER  66 -11.636   4.427   3.630
  532    H    THR  67           H        THR  67 -10.727   7.533   1.779
  533    HA   THR  67           HA       THR  67 -10.515   9.876   3.459
  534    HB   THR  67           HB       THR  67  -8.113   9.339   3.188
  535    HG1  THR  67           HG1      THR  67  -7.571  11.369   2.058
  536   HG21  THR  67          3HG2      THR  67  -8.702   9.601   0.223
  537   HG22  THR  67          1HG2      THR  67  -8.244   8.120   1.063
  538   HG23  THR  67          2HG2      THR  67  -7.093   9.449   0.928
  539    H    ARG  68           H        ARG  68 -11.148  11.827   2.231
  540    HA   ARG  68           HA       ARG  68 -13.066  11.372   0.165
  541    HE   ARG  68           HE       ARG  68 -14.818  14.510   3.783
  542    HB2  ARG  68           2HB      ARG  68 -11.653  13.687   1.411
  543    HB3  ARG  68           1HB      ARG  68 -12.497  13.985  -0.110
  544    HG2  ARG  68           2HG      ARG  68 -14.532  12.877   0.902
  545    HG3  ARG  68           1HG      ARG  68 -13.676  12.865   2.445
  546    HD2  ARG  68           2HD      ARG  68 -13.495  15.504   1.274
  547    HD3  ARG  68           1HD      ARG  68 -15.193  14.998   1.369
  548   HH11  ARG  68          2HH1      ARG  68 -11.750  14.542   3.466
  549   HH12  ARG  68          1HH1      ARG  68 -11.364  16.028   4.271
  550   HH21  ARG  68          1HH2      ARG  68 -14.635  17.207   4.220
  551   HH22  ARG  68          2HH2      ARG  68 -13.005  17.544   4.697
  552    H    SER  69           H        SER  69  -9.590  11.854  -0.022
  553    HA   SER  69           HA       SER  69  -9.445  12.691  -2.779
  554    HG   SER  69           HG       SER  69  -7.673  12.907   0.098
  555    HB2  SER  69           2HB      SER  69  -7.101  11.274  -2.065
  556    HB3  SER  69           1HB      SER  69  -7.346  13.013  -2.010
  557    H    GLN  70           H        GLN  70  -9.332  11.454  -4.650
  558    HA   GLN  70           HA       GLN  70 -10.280   8.700  -4.572
  559    HB2  GLN  70           2HB      GLN  70  -9.264  10.549  -6.752
  560    HB3  GLN  70           1HB      GLN  70  -9.921   8.945  -7.074
  561    HG2  GLN  70           2HG      GLN  70 -12.023   9.645  -5.873
  562    HG3  GLN  70           1HG      GLN  70 -11.366  11.279  -5.789
  563   HE21  GLN  70          1HE2      GLN  70 -13.053   9.047  -7.830
  564   HE22  GLN  70          2HE2      GLN  70 -13.038   9.994  -9.238
  565    H    SER  71           H        SER  71  -7.224  10.192  -5.738
  566    HA   SER  71           HA       SER  71  -5.896   7.586  -5.935
  567    HG   SER  71           HG       SER  71  -3.377   9.199  -7.619
  568    HB2  SER  71           2HB      SER  71  -5.622   9.849  -7.287
  569    HB3  SER  71           1HB      SER  71  -4.500  10.247  -5.990
  570    H    GLY  72           H        GLY  72  -6.051  10.265  -3.642
  571    HA2  GLY  72           2HA      GLY  72  -3.771   9.682  -2.053
  572    HA3  GLY  72           1HA      GLY  72  -5.225  10.484  -1.461
  573    H    VAL  73           H        VAL  73  -7.048   8.281  -2.018
  574    HA   VAL  73           HA       VAL  73  -6.784   6.781   0.407
  575    HB   VAL  73           HB       VAL  73  -8.794   7.328  -1.258
  576   HG11  VAL  73          1HG1      VAL  73  -7.833   5.919  -3.092
  577   HG12  VAL  73          2HG1      VAL  73  -9.450   5.414  -2.605
  578   HG13  VAL  73          3HG1      VAL  73  -8.042   4.502  -2.062
  579   HG21  VAL  73          3HG2      VAL  73  -8.843   6.225   1.025
  580   HG22  VAL  73          1HG2      VAL  73  -8.707   4.674   0.197
  581   HG23  VAL  73          2HG2      VAL  73 -10.113   5.702  -0.080
  582    H    ALA  74           H        ALA  74  -5.810   6.065  -2.936
  583    HA   ALA  74           HA       ALA  74  -5.137   3.296  -2.527
  584    HB1  ALA  74           3HB      ALA  74  -4.033   3.549  -4.681
  585    HB2  ALA  74           1HB      ALA  74  -3.957   5.299  -4.478
  586    HB3  ALA  74           2HB      ALA  74  -5.515   4.506  -4.709
  587    H    GLY  75           H        GLY  75  -3.249   6.311  -2.276
  588    HA2  GLY  75           2HA      GLY  75  -0.740   5.015  -1.715
  589    HA3  GLY  75           1HA      GLY  75  -1.107   6.711  -1.401
  590    H    LYS  76           H        LYS  76  -3.475   6.038   0.250
  591    HA   LYS  76           HA       LYS  76  -2.145   5.776   2.810
  592    HB2  LYS  76           2HB      LYS  76  -4.421   6.924   1.894
  593    HB3  LYS  76           1HB      LYS  76  -5.088   5.428   2.544
  594    HG2  LYS  76           2HG      LYS  76  -4.783   6.112   4.677
  595    HG3  LYS  76           1HG      LYS  76  -3.127   6.621   4.351
  596    HD2  LYS  76           2HD      LYS  76  -5.534   8.241   3.485
  597    HD3  LYS  76           1HD      LYS  76  -4.736   8.479   5.039
  598    HE2  LYS  76           2HE      LYS  76  -3.252   8.601   2.389
  599    HE3  LYS  76           1HE      LYS  76  -3.910  10.031   3.207
  600    HZ1  LYS  76           3HZ      LYS  76  -1.769   9.862   4.071
  601    HZ2  LYS  76           1HZ      LYS  76  -1.816   8.169   4.152
  602    HZ3  LYS  76           2HZ      LYS  76  -2.712   9.096   5.259
  603    H    THR  77           H        THR  77  -4.191   3.610   0.818
  604    HA   THR  77           HA       THR  77  -4.377   1.468   2.727
  605    HB   THR  77           HB       THR  77  -4.437   1.496  -0.316
  606    HG1  THR  77           HG1      THR  77  -6.145   2.642   0.185
  607   HG21  THR  77          3HG2      THR  77  -5.717  -0.522   1.533
  608   HG22  THR  77          1HG2      THR  77  -4.123  -0.769   0.821
  609   HG23  THR  77          2HG2      THR  77  -5.540  -0.618  -0.217
  610    H    ALA  78           H        ALA  78  -2.043   2.226   0.153
  611    HA   ALA  78           HA       ALA  78  -0.440  -0.149   0.425
  612    HB1  ALA  78           3HB      ALA  78   1.085   1.072  -0.988
  613    HB2  ALA  78           1HB      ALA  78   0.421   2.619  -0.463
  614    HB3  ALA  78           2HB      ALA  78  -0.542   1.546  -1.479
  615    H    LYS  79           H        LYS  79  -0.306   3.088   1.924
  616    HA   LYS  79           HA       LYS  79   2.167   2.829   3.311
  617    HB2  LYS  79           2HB      LYS  79   0.599   4.848   2.947
  618    HB3  LYS  79           1HB      LYS  79  -0.300   4.248   4.340
  619    HG2  LYS  79           2HG      LYS  79   1.453   4.654   5.823
  620    HG3  LYS  79           1HG      LYS  79   2.677   4.588   4.554
  621    HD2  LYS  79           2HD      LYS  79   0.584   6.765   4.608
  622    HD3  LYS  79           1HD      LYS  79   2.092   6.914   5.511
  623    HE2  LYS  79           2HE      LYS  79   3.201   6.239   3.204
  624    HE3  LYS  79           1HE      LYS  79   1.674   6.843   2.535
  625    HZ1  LYS  79           3HZ      LYS  79   3.627   8.282   4.235
  626    HZ2  LYS  79           1HZ      LYS  79   2.025   8.817   4.084
  627    HZ3  LYS  79           2HZ      LYS  79   3.025   8.734   2.713
  628    H    ASP  80           H        ASP  80  -1.149   1.906   4.274
  629    HA   ASP  80           HA       ASP  80  -0.488   1.029   6.930
  630    HB2  ASP  80           2HB      ASP  80  -2.765   1.538   5.872
  631    HB3  ASP  80           1HB      ASP  80  -2.659  -0.046   5.107
  632    H    PHE  81           H        PHE  81  -0.629  -0.662   3.798
  633    HA   PHE  81           HA       PHE  81   0.013  -3.286   4.844
  634    HD1  PHE  81           HD1      PHE  81   2.372  -3.718   1.798
  635    HD2  PHE  81           HD2      PHE  81  -1.578  -5.045   2.838
  636    HE1  PHE  81           HE1      PHE  81   2.983  -6.036   1.162
  637    HE2  PHE  81           HE2      PHE  81  -0.967  -7.362   2.204
  638    HZ   PHE  81           HZ       PHE  81   1.313  -7.859   1.365
  639    HB2  PHE  81           2HB      PHE  81  -1.088  -2.691   2.642
  640    HB3  PHE  81           1HB      PHE  81   0.481  -2.123   2.078
  641    H    VAL  82           H        VAL  82   1.954  -0.602   3.525
  642    HA   VAL  82           HA       VAL  82   4.471  -2.014   3.523
  643    HB   VAL  82           HB       VAL  82   3.625   0.895   3.514
  644   HG11  VAL  82          1HG1      VAL  82   6.056   1.279   2.775
  645   HG12  VAL  82          2HG1      VAL  82   6.398  -0.309   3.459
  646   HG13  VAL  82          3HG1      VAL  82   5.793   0.985   4.494
  647   HG21  VAL  82          3HG2      VAL  82   3.186  -0.563   1.508
  648   HG22  VAL  82          1HG2      VAL  82   4.924  -0.837   1.389
  649   HG23  VAL  82          2HG2      VAL  82   4.271   0.787   1.173
  650    H    ARG  83           H        ARG  83   2.793   0.026   5.932
  651    HA   ARG  83           HA       ARG  83   4.983   0.129   7.816
  652    HE   ARG  83           HE       ARG  83   4.124   3.623  11.126
  653    HB2  ARG  83           2HB      ARG  83   2.793   1.520   7.615
  654    HB3  ARG  83           1HB      ARG  83   2.040   0.195   8.500
  655    HG2  ARG  83           2HG      ARG  83   3.497   0.505  10.381
  656    HG3  ARG  83           1HG      ARG  83   4.529   1.615   9.478
  657    HD2  ARG  83           2HD      ARG  83   1.928   2.712   9.309
  658    HD3  ARG  83           1HD      ARG  83   2.139   2.216  11.000
  659   HH11  ARG  83          2HH1      ARG  83   2.091   5.507   9.945
  660   HH12  ARG  83          1HH1      ARG  83   2.971   6.196   8.623
  661   HH21  ARG  83          1HH2      ARG  83   5.411   3.718   8.618
  662   HH22  ARG  83          2HH2      ARG  83   4.856   5.175   7.866
  663    H    LYS  84           H        LYS  84   2.223  -2.094   7.382
  664    HA   LYS  84           HA       LYS  84   2.745  -3.693   9.730
  665    HB2  LYS  84           2HB      LYS  84   1.218  -3.978   7.147
  666    HB3  LYS  84           1HB      LYS  84   1.373  -5.364   8.227
  667    HG2  LYS  84           2HG      LYS  84   0.305  -4.195  10.028
  668    HG3  LYS  84           1HG      LYS  84   0.387  -2.659   9.162
  669    HD2  LYS  84           2HD      LYS  84  -1.178  -3.449   7.490
  670    HD3  LYS  84           1HD      LYS  84  -1.165  -5.072   8.183
  671    HE2  LYS  84           2HE      LYS  84  -2.307  -4.344  10.161
  672    HE3  LYS  84           1HE      LYS  84  -2.051  -2.634   9.758
  673    HZ1  LYS  84           3HZ      LYS  84  -3.511  -4.511   7.978
  674    HZ2  LYS  84           1HZ      LYS  84  -3.432  -2.816   7.862
  675    HZ3  LYS  84           2HZ      LYS  84  -4.293  -3.542   9.137
  676    H    ALA  85           H        ALA  85   3.754  -3.919   6.315
  677    HA   ALA  85           HA       ALA  85   5.147  -6.434   6.556
  678    HB1  ALA  85           3HB      ALA  85   4.643  -5.817   4.366
  679    HB2  ALA  85           1HB      ALA  85   6.326  -5.299   4.454
  680    HB3  ALA  85           2HB      ALA  85   5.029  -4.120   4.650
  681    H    PHE  86           H        PHE  86   6.116  -3.036   6.969
  682    HA   PHE  86           HA       PHE  86   8.948  -3.519   7.263
  683    HD1  PHE  86           HD1      PHE  86  10.710  -1.396   7.882
  684    HD2  PHE  86           HD2      PHE  86   7.381  -0.738   5.253
  685    HE1  PHE  86           HE1      PHE  86  12.255  -0.545   6.140
  686    HE2  PHE  86           HE2      PHE  86   8.924   0.111   3.511
  687    HZ   PHE  86           HZ       PHE  86  11.361   0.212   3.954
  688    HB2  PHE  86           2HB      PHE  86   6.997  -1.343   7.505
  689    HB3  PHE  86           1HB      PHE  86   8.282  -1.214   8.701
  690    H    GLN  87           H        GLN  87   6.202  -3.515   9.518
  691    HA   GLN  87           HA       GLN  87   7.668  -3.520  11.980
  692    HB2  GLN  87           2HB      GLN  87   4.947  -4.338  11.014
  693    HB3  GLN  87           1HB      GLN  87   5.430  -4.782  12.650
  694    HG2  GLN  87           2HG      GLN  87   5.876  -2.453  13.203
  695    HG3  GLN  87           1HG      GLN  87   5.551  -1.963  11.541
  696   HE21  GLN  87          1HE2      GLN  87   3.996  -3.248  14.491
  697   HE22  GLN  87          2HE2      GLN  87   2.417  -2.822  14.036
  698    H    LYS  88           H        LYS  88   6.830  -6.114   9.712
  699    HA   LYS  88           HA       LYS  88   7.839  -8.190  11.569
  700    HB2  LYS  88           2HB      LYS  88   6.080  -7.979   9.243
  701    HB3  LYS  88           1HB      LYS  88   7.207  -9.328   9.092
  702    HG2  LYS  88           2HG      LYS  88   5.209 -10.112  10.232
  703    HG3  LYS  88           1HG      LYS  88   6.539 -10.075  11.389
  704    HD2  LYS  88           2HD      LYS  88   5.130  -7.521  11.277
  705    HD3  LYS  88           1HD      LYS  88   4.050  -8.847  11.703
  706    HE2  LYS  88           2HE      LYS  88   6.639  -8.996  13.096
  707    HE3  LYS  88           1HE      LYS  88   5.711  -7.537  13.490
  708    HZ1  LYS  88           3HZ      LYS  88   5.025  -9.391  14.889
  709    HZ2  LYS  88           1HZ      LYS  88   4.660 -10.322  13.519
  710    HZ3  LYS  88           2HZ      LYS  88   3.757  -8.922  13.860
  711    H    GLY  89           H        GLY  89   8.418  -7.551   8.083
  712    HA2  GLY  89           2HA      GLY  89  11.031  -6.924   7.897
  713    HA3  GLY  89           1HA      GLY  89  11.142  -8.617   8.366
  714    H    LEU  90           H        LEU  90   8.972  -6.870   6.103
  715    HA   LEU  90           HA       LEU  90   9.673  -8.927   4.046
  716    HG   LEU  90           HG       LEU  90   7.476 -10.002   5.157
  717    HB2  LEU  90           2HB      LEU  90   7.202  -7.596   4.952
  718    HB3  LEU  90           1HB      LEU  90   7.367  -7.687   3.200
  719   HD11  LEU  90          1HD1      LEU  90   5.553  -9.221   2.947
  720   HD12  LEU  90          2HD1      LEU  90   5.210  -9.276   4.675
  721   HD13  LEU  90          3HD1      LEU  90   5.514 -10.770   3.789
  722   HD21  LEU  90          3HD2      LEU  90   8.873 -10.918   3.602
  723   HD22  LEU  90          1HD2      LEU  90   8.468  -9.703   2.389
  724   HD23  LEU  90          2HD2      LEU  90   7.410 -11.093   2.633
  725    H    ILE  91           H        ILE  91   9.121  -5.429   4.556
  726    HA   ILE  91           HA       ILE  91  10.235  -4.912   1.840
  727    HB   ILE  91           HB       ILE  91   8.746  -3.142   3.817
  728   HG12  ILE  91          2HG1      ILE  91   7.797  -4.417   1.228
  729   HG13  ILE  91          1HG1      ILE  91   7.430  -5.047   2.832
  730   HG21  ILE  91          1HG2      ILE  91   9.955  -1.648   2.460
  731   HG22  ILE  91          2HG2      ILE  91   8.427  -1.805   1.593
  732   HG23  ILE  91          3HG2      ILE  91   9.848  -2.697   1.046
  733   HD11  ILE  91          3HD1      ILE  91   6.222  -3.044   3.424
  734   HD12  ILE  91          1HD1      ILE  91   5.620  -3.580   1.855
  735   HD13  ILE  91          2HD1      ILE  91   6.750  -2.230   1.951
  736    H    SER  92           H        SER  92  12.354  -5.618   2.983
  737    HA   SER  92           HA       SER  92  13.595  -3.825   4.906
  738    HG   SER  92           HG       SER  92  13.884  -7.214   4.446
  739    HB2  SER  92           2HB      SER  92  14.675  -5.939   3.015
  740    HB3  SER  92           1HB      SER  92  15.619  -5.182   4.293
  741    H    GLN  93           H        GLN  93  15.954  -2.980   4.129
  742    HA   GLN  93           HA       GLN  93  15.475  -0.819   2.285
  743    HB2  GLN  93           2HB      GLN  93  17.894  -2.020   3.639
  744    HB3  GLN  93           1HB      GLN  93  18.042  -0.635   2.556
  745    HG2  GLN  93           2HG      GLN  93  16.653   0.725   3.932
  746    HG3  GLN  93           1HG      GLN  93  16.088  -0.664   4.862
  747   HE21  GLN  93          1HE2      GLN  93  18.722   1.639   4.495
  748   HE22  GLN  93          2HE2      GLN  93  19.610   1.120   5.846
  749    H    GLN  94           H        GLN  94  17.763  -3.585   1.962
  750    HA   GLN  94           HA       GLN  94  18.308  -3.146  -0.822
  751    HB2  GLN  94           2HB      GLN  94  18.576  -5.417   1.138
  752    HB3  GLN  94           1HB      GLN  94  18.948  -5.687  -0.566
  753    HG2  GLN  94           2HG      GLN  94  20.649  -3.996  -0.555
  754    HG3  GLN  94           1HG      GLN  94  20.146  -3.411   1.032
  755   HE21  GLN  94          1HE2      GLN  94  21.775  -6.111  -0.633
  756   HE22  GLN  94          2HE2      GLN  94  22.492  -6.754   0.764
  757    H    GLU  95           H        GLU  95  15.908  -5.185   0.840
  758    HA   GLU  95           HA       GLU  95  14.864  -6.525  -1.459
  759    HB2  GLU  95           2HB      GLU  95  14.051  -5.881   1.327
  760    HB3  GLU  95           1HB      GLU  95  12.747  -6.333   0.230
  761    HG2  GLU  95           2HG      GLU  95  13.907  -8.410  -0.339
  762    HG3  GLU  95           1HG      GLU  95  15.273  -7.951   0.679
  763    H    ALA  96           H        ALA  96  13.968  -3.431   0.096
  764    HA   ALA  96           HA       ALA  96  11.744  -2.772  -1.573
  765    HB1  ALA  96           3HB      ALA  96  12.084  -1.547   0.433
  766    HB2  ALA  96           1HB      ALA  96  12.483  -0.394  -0.840
  767    HB3  ALA  96           2HB      ALA  96  13.771  -1.215   0.040
  768    H    ASN  97           H        ASN  97  15.249  -2.251  -1.973
  769    HA   ASN  97           HA       ASN  97  15.124  -0.581  -4.298
  770    HB2  ASN  97           2HB      ASN  97  17.089  -2.353  -2.915
  771    HB3  ASN  97           1HB      ASN  97  17.451  -1.943  -4.590
  772   HD21  ASN  97          1HD2      ASN  97  17.259   0.529  -5.085
  773   HD22  ASN  97          2HD2      ASN  97  17.802   1.588  -3.876
  774    H    GLN  98           H        GLN  98  15.319  -4.132  -3.916
  775    HA   GLN  98           HA       GLN  98  15.176  -4.668  -6.781
  776    HB2  GLN  98           2HB      GLN  98  15.544  -6.074  -4.294
  777    HB3  GLN  98           1HB      GLN  98  14.271  -6.878  -5.213
  778    HG2  GLN  98           2HG      GLN  98  16.031  -7.911  -6.240
  779    HG3  GLN  98           1HG      GLN  98  16.078  -6.428  -7.193
  780   HE21  GLN  98          1HE2      GLN  98  18.156  -8.439  -5.662
  781   HE22  GLN  98          2HE2      GLN  98  19.317  -7.326  -5.117
  782    H    TRP  99           H        TRP  99  12.888  -4.294  -4.134
  783    HA   TRP  99           HA       TRP  99  10.539  -5.340  -5.430
  784    HD1  TRP  99           HD1      TRP  99   9.178  -6.631  -2.971
  785    HE1  TRP  99           HE1      TRP  99   6.612  -6.429  -2.841
  786    HE3  TRP  99           HE3      TRP  99   8.625  -1.676  -4.071
  787    HZ2  TRP  99           HZ2      TRP  99   4.610  -4.429  -3.161
  788    HZ3  TRP  99           HZ3      TRP  99   6.373  -0.661  -4.149
  789    HH2  TRP  99           HH2      TRP  99   4.364  -2.029  -3.702
  790    HB2  TRP  99           2HB      TRP  99  11.093  -4.816  -2.952
  791    HB3  TRP  99           1HB      TRP  99  10.668  -3.154  -3.345
  792    H    LEU 100           H        LEU 100  11.960  -2.075  -5.183
  793    HA   LEU 100           HA       LEU 100   9.794  -0.835  -6.728
  794    HG   LEU 100           HG       LEU 100  10.353  -0.417  -4.193
  795    HB2  LEU 100           2HB      LEU 100  12.482   0.078  -5.659
  796    HB3  LEU 100           1HB      LEU 100  11.392   1.143  -6.543
  797   HD11  LEU 100          1HD1      LEU 100  11.458   2.349  -3.821
  798   HD12  LEU 100          2HD1      LEU 100  12.548   0.967  -3.719
  799   HD13  LEU 100          3HD1      LEU 100  11.176   1.089  -2.619
  800   HD21  LEU 100          3HD2      LEU 100   8.824   0.853  -5.703
  801   HD22  LEU 100          1HD2      LEU 100   9.707   2.329  -5.315
  802   HD23  LEU 100          2HD2      LEU 100   8.813   1.479  -4.055
  803    H    SER 101           H        SER 101  13.062  -2.054  -7.344
  804    HA   SER 101           HA       SER 101  13.109  -0.969 -10.080
  805    HG   SER 101           HG       SER 101  15.516  -2.968 -10.644
  806    HB2  SER 101           2HB      SER 101  15.121  -1.026  -8.653
  807    HB3  SER 101           1HB      SER 101  14.994  -2.777  -8.531
  808    H    SER 102           HN       SER 102  13.699  -4.283  -8.836
  809    HA   SER 102           HA       SER 102  13.073  -6.388  -9.686
  810    HG   SER 102           HG       SER 102   9.985  -6.682  -9.311
  811    HB2  SER 102           2HB      SER 102  10.852  -4.795  -9.573
  812    HB3  SER 102           1HB      SER 102  10.851  -5.241 -11.276
  Start of MODEL   15
    1    HA   GLU   1           HA       GLU   1  23.327  14.989   3.245
    2    H1   GLU   1           1H       GLU   1  22.170  14.639   5.966
    3    H2   GLU   1           2H       GLU   1  21.839  13.601   4.663
    4    H3   GLU   1           3H       GLU   1  21.378  15.233   4.589
    5    HB2  GLU   1           2HB      GLU   1  23.329  16.403   5.867
    6    HB3  GLU   1           1HB      GLU   1  24.870  16.345   5.012
    7    HG2  GLU   1           2HG      GLU   1  23.950  18.264   4.085
    8    HG3  GLU   1           1HG      GLU   1  23.380  17.052   2.937
    9    H    ALA   2           H        ALA   2  24.264  14.202   6.635
   10    HA   ALA   2           HA       ALA   2  26.320  12.321   5.529
   11    HB1  ALA   2           3HB      ALA   2  27.352  12.691   7.808
   12    HB2  ALA   2           1HB      ALA   2  26.065  13.851   8.138
   13    HB3  ALA   2           2HB      ALA   2  27.218  14.157   6.839
   14    H    TYR   3           H        TYR   3  24.719  10.587   5.310
   15    HA   TYR   3           HA       TYR   3  23.618   8.644   6.053
   16    HD1  TYR   3           HD2      TYR   3  23.277   7.341   9.469
   17    HD2  TYR   3           HD1      TYR   3  25.954   6.636   6.183
   18    HE1  TYR   3           HE2      TYR   3  22.781   4.914   9.585
   19    HE2  TYR   3           HE1      TYR   3  25.459   4.209   6.302
   20    HH   TYR   3           HH       TYR   3  24.452   2.649   8.606
   21    HB2  TYR   3           2HB      TYR   3  25.933   8.771   7.329
   22    HB3  TYR   3           1HB      TYR   3  24.907   9.048   8.736
   23    H    VAL   4           H        VAL   4  21.495   9.618   6.060
   24    HA   VAL   4           HA       VAL   4  20.508  10.464   8.768
   25    HB   VAL   4           HB       VAL   4  20.551  12.165   6.898
   26   HG11  VAL   4          1HG1      VAL   4  20.019  10.533   5.072
   27   HG12  VAL   4          2HG1      VAL   4  18.962  11.943   5.067
   28   HG13  VAL   4          3HG1      VAL   4  18.380  10.409   5.711
   29   HG21  VAL   4          3HG2      VAL   4  17.743  11.423   7.760
   30   HG22  VAL   4          1HG2      VAL   4  18.353  13.032   7.376
   31   HG23  VAL   4          2HG2      VAL   4  18.911  12.200   8.828
   32    H    GLN   5           H        GLN   5  18.349   9.717   9.346
   33    HA   GLN   5           HA       GLN   5  17.764   6.998   8.398
   34    HB2  GLN   5           2HB      GLN   5  16.969   8.851  10.582
   35    HB3  GLN   5           1HB      GLN   5  15.747   7.674  10.101
   36    HG2  GLN   5           2HG      GLN   5  18.004   6.114  10.183
   37    HG3  GLN   5           1HG      GLN   5  18.312   7.253  11.494
   38   HE21  GLN   5          1HE2      GLN   5  17.448   6.589  13.469
   39   HE22  GLN   5          2HE2      GLN   5  16.085   5.595  13.650
   40    H    GLY   6           H        GLY   6  15.857   6.378   7.268
   41    HA2  GLY   6           2HA      GLY   6  13.828   8.343   6.540
   42    HA3  GLY   6           1HA      GLY   6  14.872   7.894   5.196
   43    H    TRP   7           H        TRP   7  13.776   5.776   7.831
   44    HA   TRP   7           HA       TRP   7  13.079   3.606   6.097
   45    HD1  TRP   7           HD1      TRP   7  15.420   3.842   7.748
   46    HE1  TRP   7           HE1      TRP   7  16.724   1.657   8.154
   47    HE3  TRP   7           HE3      TRP   7  11.579   0.761   9.115
   48    HZ2  TRP   7           HZ2      TRP   7  16.209  -1.040   8.950
   49    HZ3  TRP   7           HZ3      TRP   7  12.018  -1.609   9.694
   50    HH2  TRP   7           HH2      TRP   7  14.324  -2.513   9.613
   51    HB2  TRP   7           2HB      TRP   7  12.726   4.390   8.953
   52    HB3  TRP   7           1HB      TRP   7  11.655   3.124   8.355
   53    H    GLU   8           H        GLU   8  11.155   6.248   7.494
   54    HA   GLU   8           HA       GLU   8   8.564   5.334   6.665
   55    HB2  GLU   8           2HB      GLU   8   8.882   7.076   8.333
   56    HB3  GLU   8           1HB      GLU   8   9.766   8.077   7.182
   57    HG2  GLU   8           2HG      GLU   8   7.026   7.247   6.369
   58    HG3  GLU   8           1HG      GLU   8   7.130   8.410   7.690
   59    H    ALA   9           H        ALA   9  11.004   7.402   5.083
   60    HA   ALA   9           HA       ALA   9   9.499   8.080   2.755
   61    HB1  ALA   9           3HB      ALA   9  12.468   7.739   3.275
   62    HB2  ALA   9           1HB      ALA   9  11.540   9.233   3.401
   63    HB3  ALA   9           2HB      ALA   9  11.809   8.493   1.823
   64    H    VAL  10           H        VAL  10  11.616   5.307   3.483
   65    HA   VAL  10           HA       VAL  10  11.562   4.125   0.865
   66    HB   VAL  10           HB       VAL  10  11.903   2.922   3.638
   67   HG11  VAL  10          1HG1      VAL  10  13.073   1.090   2.473
   68   HG12  VAL  10          2HG1      VAL  10  12.705   1.837   0.918
   69   HG13  VAL  10          3HG1      VAL  10  11.401   1.208   1.926
   70   HG21  VAL  10          3HG2      VAL  10  13.632   4.501   1.842
   71   HG22  VAL  10          1HG2      VAL  10  14.378   3.019   2.440
   72   HG23  VAL  10          2HG2      VAL  10  13.772   4.222   3.577
   73    H    ALA  11           H        ALA  11   9.510   3.691   3.751
   74    HA   ALA  11           HA       ALA  11   7.813   1.654   2.599
   75    HB1  ALA  11           3HB      ALA  11   7.767   1.775   4.936
   76    HB2  ALA  11           1HB      ALA  11   6.295   2.656   4.529
   77    HB3  ALA  11           2HB      ALA  11   7.766   3.538   4.940
   78    H    ALA  12           H        ALA  12   7.696   5.203   2.741
   79    HA   ALA  12           HA       ALA  12   5.065   5.534   1.631
   80    HB1  ALA  12           3HB      ALA  12   7.513   7.330   1.526
   81    HB2  ALA  12           1HB      ALA  12   6.383   7.247   2.878
   82    HB3  ALA  12           2HB      ALA  12   5.840   7.850   1.312
   83    H    ALA  13           H        ALA  13   8.319   5.325   0.166
   84    HA   ALA  13           HA       ALA  13   7.523   5.893  -2.536
   85    HB1  ALA  13           3HB      ALA  13   9.848   5.905  -1.586
   86    HB2  ALA  13           1HB      ALA  13   9.720   4.944  -3.059
   87    HB3  ALA  13           2HB      ALA  13   9.776   4.145  -1.488
   88    H    VAL  14           H        VAL  14   7.798   2.857  -0.680
   89    HA   VAL  14           HA       VAL  14   7.178   1.050  -2.806
   90    HB   VAL  14           HB       VAL  14   6.915   1.030   0.206
   91   HG11  VAL  14          1HG1      VAL  14   6.307  -1.229  -1.725
   92   HG12  VAL  14          2HG1      VAL  14   5.179  -0.483  -0.597
   93   HG13  VAL  14          3HG1      VAL  14   6.530  -1.440   0.009
   94   HG21  VAL  14          3HG2      VAL  14   8.721  -0.454  -1.730
   95   HG22  VAL  14          1HG2      VAL  14   8.811  -0.530   0.029
   96   HG23  VAL  14          2HG2      VAL  14   9.177   0.977  -0.807
   97    H    ALA  15           H        ALA  15   5.110   2.807  -0.485
   98    HA   ALA  15           HA       ALA  15   2.606   1.654  -1.267
   99    HB1  ALA  15           3HB      ALA  15   3.064   4.484  -0.297
  100    HB2  ALA  15           1HB      ALA  15   3.262   3.097   0.773
  101    HB3  ALA  15           2HB      ALA  15   1.692   3.431   0.043
  102    H    SER  16           H        SER  16   4.439   4.475  -2.439
  103    HA   SER  16           HA       SER  16   2.498   5.506  -4.273
  104    HG   SER  16           HG       SER  16   5.211   7.050  -2.809
  105    HB2  SER  16           2HB      SER  16   5.531   5.540  -4.203
  106    HB3  SER  16           1HB      SER  16   4.577   6.511  -5.320
  107    H    LYS  17           H        LYS  17   5.056   3.036  -4.629
  108    HA   LYS  17           HA       LYS  17   4.763   2.619  -7.446
  109    HB2  LYS  17           2HB      LYS  17   6.513   1.791  -5.627
  110    HB3  LYS  17           1HB      LYS  17   5.448   0.387  -5.559
  111    HG2  LYS  17           2HG      LYS  17   6.826  -0.298  -7.276
  112    HG3  LYS  17           1HG      LYS  17   5.627   0.587  -8.216
  113    HD2  LYS  17           2HD      LYS  17   7.337   2.603  -7.507
  114    HD3  LYS  17           1HD      LYS  17   8.453   1.248  -7.673
  115    HE2  LYS  17           2HE      LYS  17   6.387   1.929  -9.792
  116    HE3  LYS  17           1HE      LYS  17   8.047   2.555  -9.824
  117    HZ1  LYS  17           3HZ      LYS  17   8.869   0.272  -9.669
  118    HZ2  LYS  17           1HZ      LYS  17   7.905   0.476 -11.051
  119    HZ3  LYS  17           2HZ      LYS  17   7.273  -0.318  -9.691
  120    H    ILE  18           H        ILE  18   3.084   1.203  -4.631
  121    HA   ILE  18           HA       ILE  18   1.621  -0.815  -6.026
  122    HB   ILE  18           HB       ILE  18   1.224   0.772  -3.486
  123   HG12  ILE  18          2HG1      ILE  18   2.092  -2.011  -4.255
  124   HG13  ILE  18          1HG1      ILE  18   2.905  -0.849  -3.208
  125   HG21  ILE  18          1HG2      ILE  18  -1.028   0.232  -4.413
  126   HG22  ILE  18          2HG2      ILE  18  -0.691  -0.655  -2.927
  127   HG23  ILE  18          3HG2      ILE  18  -0.567  -1.468  -4.487
  128   HD11  ILE  18          3HD1      ILE  18   0.429  -2.478  -2.584
  129   HD12  ILE  18          1HD1      ILE  18   0.958  -1.121  -1.591
  130   HD13  ILE  18          2HD1      ILE  18   1.992  -2.538  -1.769
  131    H    VAL  19           H        VAL  19   0.928   2.645  -5.480
  132    HA   VAL  19           HA       VAL  19  -1.755   2.637  -6.501
  133    HB   VAL  19           HB       VAL  19   0.437   4.722  -6.286
  134   HG11  VAL  19          1HG1      VAL  19  -0.787   5.805  -7.903
  135   HG12  VAL  19          2HG1      VAL  19  -1.794   6.218  -6.516
  136   HG13  VAL  19          3HG1      VAL  19  -2.248   4.877  -7.567
  137   HG21  VAL  19          3HG2      VAL  19  -2.189   4.469  -4.795
  138   HG22  VAL  19          1HG2      VAL  19  -0.810   5.484  -4.380
  139   HG23  VAL  19          2HG2      VAL  19  -0.692   3.731  -4.224
  140    H    GLY  20           H        GLY  20   1.372   3.367  -8.129
  141    HA2  GLY  20           2HA      GLY  20   0.097   3.592 -10.751
  142    HA3  GLY  20           1HA      GLY  20   1.832   3.594 -10.442
  143    H    LEU  21           H        LEU  21   1.196   0.934  -8.849
  144    HA   LEU  21           HA       LEU  21   1.592  -0.837 -11.206
  145    HG   LEU  21           HG       LEU  21   1.715  -3.282  -9.888
  146    HB2  LEU  21           2HB      LEU  21   3.206  -0.735  -9.308
  147    HB3  LEU  21           1HB      LEU  21   1.929  -1.272  -8.221
  148   HD11  LEU  21          1HD1      LEU  21   3.953  -3.848 -10.880
  149   HD12  LEU  21          2HD1      LEU  21   4.502  -2.227 -10.455
  150   HD13  LEU  21          3HD1      LEU  21   3.195  -2.439 -11.622
  151   HD21  LEU  21          3HD2      LEU  21   4.105  -3.992  -8.609
  152   HD22  LEU  21          1HD2      LEU  21   2.479  -4.180  -7.957
  153   HD23  LEU  21          2HD2      LEU  21   3.416  -2.736  -7.583
  154    H    TRP  22           H        TRP  22  -0.827  -0.053  -8.833
  155    HA   TRP  22           HA       TRP  22  -2.181  -2.577  -8.676
  156    HD1  TRP  22           HD1      TRP  22  -4.112  -3.352  -7.565
  157    HE1  TRP  22           HE1      TRP  22  -6.666  -3.373  -7.241
  158    HE3  TRP  22           HE3      TRP  22  -5.079   1.651  -7.876
  159    HZ2  TRP  22           HZ2      TRP  22  -8.839  -1.516  -7.135
  160    HZ3  TRP  22           HZ3      TRP  22  -7.399   2.497  -7.663
  161    HH2  TRP  22           HH2      TRP  22  -9.279   0.923  -7.290
  162    HB2  TRP  22           2HB      TRP  22  -2.449  -0.830  -7.017
  163    HB3  TRP  22           1HB      TRP  22  -3.023   0.303  -8.238
  164    H    ARG  23           H        ARG  23  -3.721  -3.459  -9.972
  165    HA   ARG  23           HA       ARG  23  -4.463  -2.054 -12.502
  166    HE   ARG  23           HE       ARG  23  -3.177  -5.391 -16.441
  167    HB2  ARG  23           2HB      ARG  23  -3.312  -4.466 -12.060
  168    HB3  ARG  23           1HB      ARG  23  -5.005  -4.950 -12.001
  169    HG2  ARG  23           2HG      ARG  23  -5.372  -3.875 -14.210
  170    HG3  ARG  23           1HG      ARG  23  -3.668  -3.430 -14.262
  171    HD2  ARG  23           2HD      ARG  23  -3.658  -6.183 -13.684
  172    HD3  ARG  23           1HD      ARG  23  -4.899  -5.977 -14.936
  173   HH11  ARG  23          1HH2      ARG  23  -1.433  -6.593 -14.049
  174   HH12  ARG  23          2HH2      ARG  23  -0.139  -5.443 -14.069
  175   HH21  ARG  23          2HH1      ARG  23  -1.824  -3.177 -16.091
  176   HH22  ARG  23          1HH1      ARG  23  -0.363  -3.501 -15.221
  177    H    ASN  24           H        ASN  24  -6.794  -3.568 -13.064
  178    HA   ASN  24           HA       ASN  24  -8.910  -2.183 -11.918
  179    HB2  ASN  24           2HB      ASN  24  -8.473  -4.687 -13.365
  180    HB3  ASN  24           1HB      ASN  24  -9.878  -4.783 -12.306
  181   HD21  ASN  24          1HD2      ASN  24 -10.077  -4.729 -15.201
  182   HD22  ASN  24          2HD2      ASN  24 -10.877  -3.295 -15.633
  183    H    GLU  25           H        GLU  25  -7.514  -5.257 -10.701
  184    HA   GLU  25           HA       GLU  25  -8.303  -4.561  -7.953
  185    HB2  GLU  25           2HB      GLU  25  -9.805  -6.479  -7.692
  186    HB3  GLU  25           1HB      GLU  25 -10.365  -5.473  -9.027
  187    HG2  GLU  25           2HG      GLU  25  -8.572  -7.255 -10.223
  188    HG3  GLU  25           1HG      GLU  25  -9.455  -8.245  -9.062
  189    H    LYS  26           H        LYS  26  -5.787  -5.276  -9.421
  190    HA   LYS  26           HA       LYS  26  -4.834  -7.353  -7.534
  191    HB2  LYS  26           2HB      LYS  26  -5.824  -8.327  -9.724
  192    HB3  LYS  26           1HB      LYS  26  -4.391  -7.659 -10.503
  193    HG2  LYS  26           2HG      LYS  26  -2.964  -9.152  -9.480
  194    HG3  LYS  26           1HG      LYS  26  -3.961  -9.270  -8.030
  195    HD2  LYS  26           2HD      LYS  26  -4.589 -11.283  -8.865
  196    HD3  LYS  26           1HD      LYS  26  -5.629 -10.339  -9.931
  197    HE2  LYS  26           2HE      LYS  26  -2.845 -10.564 -10.894
  198    HE3  LYS  26           1HE      LYS  26  -3.717 -12.108 -10.822
  199    HZ1  LYS  26           3HZ      LYS  26  -4.902  -9.636 -11.961
  200    HZ2  LYS  26           1HZ      LYS  26  -5.494 -11.222 -12.084
  201    HZ3  LYS  26           2HZ      LYS  26  -4.076 -10.779 -12.911
  202    H    THR  27           H        THR  27  -2.433  -7.522  -7.591
  203    HA   THR  27           HA       THR  27  -0.926  -5.496  -9.106
  204    HB   THR  27           HB       THR  27  -1.913  -4.280  -7.170
  205    HG1  THR  27           HG1      THR  27  -0.062  -3.277  -6.715
  206   HG21  THR  27          3HG2      THR  27  -0.182  -5.518  -5.167
  207   HG22  THR  27          1HG2      THR  27  -1.414  -6.623  -5.777
  208   HG23  THR  27          2HG2      THR  27  -1.888  -5.083  -5.061
  209    H    GLU  28           H        GLU  28   1.273  -6.056  -9.233
  210    HA   GLU  28           HA       GLU  28   2.007  -8.689  -8.024
  211    HB2  GLU  28           2HB      GLU  28   2.444  -7.270 -10.545
  212    HB3  GLU  28           1HB      GLU  28   3.948  -7.904  -9.878
  213    HG2  GLU  28           2HG      GLU  28   1.876  -9.882  -9.580
  214    HG3  GLU  28           1HG      GLU  28   1.933  -9.346 -11.259
  215    H    LEU  29           H        LEU  29   3.040  -8.361  -6.057
  216    HA   LEU  29           HA       LEU  29   5.007  -6.102  -5.877
  217    HG   LEU  29           HG       LEU  29   1.800  -6.793  -4.838
  218    HB2  LEU  29           2HB      LEU  29   3.679  -7.581  -3.598
  219    HB3  LEU  29           1HB      LEU  29   4.425  -5.988  -3.565
  220   HD11  LEU  29          1HD1      LEU  29   2.683  -4.888  -2.675
  221   HD12  LEU  29          2HD1      LEU  29   1.476  -6.172  -2.590
  222   HD13  LEU  29          3HD1      LEU  29   1.127  -4.692  -3.482
  223   HD21  LEU  29          3HD2      LEU  29   2.097  -5.245  -6.456
  224   HD22  LEU  29          1HD2      LEU  29   3.671  -4.799  -5.798
  225   HD23  LEU  29          2HD2      LEU  29   2.210  -4.011  -5.204
  226    H    LEU  30           H        LEU  30   7.148  -6.656  -5.591
  227    HA   LEU  30           HA       LEU  30   9.083  -7.966  -5.256
  228    HG   LEU  30           HG       LEU  30   9.919  -9.950  -3.887
  229    HB2  LEU  30           2HB      LEU  30   7.811  -7.994  -2.993
  230    HB3  LEU  30           1HB      LEU  30   7.353  -9.636  -3.427
  231   HD11  LEU  30          1HD1      LEU  30  10.533  -7.588  -3.624
  232   HD12  LEU  30          2HD1      LEU  30  11.312  -8.559  -2.376
  233   HD13  LEU  30          3HD1      LEU  30   9.892  -7.590  -1.980
  234   HD21  LEU  30          3HD2      LEU  30   8.323 -10.749  -1.905
  235   HD22  LEU  30          1HD2      LEU  30   9.328  -9.643  -0.971
  236   HD23  LEU  30          2HD2      LEU  30  10.067 -10.995  -1.828
  237    H    GLY  31           H        GLY  31   7.112  -8.769  -7.372
  238    HA2  GLY  31           2HA      GLY  31   7.066 -10.492  -8.983
  239    HA3  GLY  31           1HA      GLY  31   8.294 -11.340  -8.044
  240    H    HIS  32           H        HIS  32   5.347 -10.315  -6.472
  241    HA   HIS  32           HA       HIS  32   4.373 -13.148  -6.446
  242    HD1  HIS  32           HD1      HIS  32   5.813 -14.416  -5.306
  243    HD2  HIS  32           HD2      HIS  32   6.743 -11.175  -2.853
  244    HE1  HIS  32           HE1      HIS  32   8.117 -14.872  -4.357
  245    HB2  HIS  32           2HB      HIS  32   4.394 -11.016  -4.283
  246    HB3  HIS  32           1HB      HIS  32   3.685 -12.614  -4.109
  247    H    GLU  33           H        GLU  33   1.981 -13.305  -6.161
  248    HA   GLU  33           HA       GLU  33   0.597 -11.080  -7.542
  249    HB2  GLU  33           2HB      GLU  33   0.416 -13.600  -8.067
  250    HB3  GLU  33           1HB      GLU  33  -0.579 -13.706  -6.613
  251    HG2  GLU  33           2HG      GLU  33  -2.290 -12.412  -7.522
  252    HG3  GLU  33           1HG      GLU  33  -1.211 -11.597  -8.653
  253    H    CYS  34           H        CYS  34  -0.419  -9.541  -6.385
  254    HA   CYS  34           HA       CYS  34  -1.465 -10.199  -3.651
  255    HB2  CYS  34           2HB      CYS  34  -0.032  -7.809  -4.798
  256    HB3  CYS  34           1HB      CYS  34  -1.041  -7.640  -3.366
  257    H    LYS  35           H        LYS  35  -3.373  -8.797  -3.067
  258    HA   LYS  35           HA       LYS  35  -4.930  -7.995  -5.498
  259    HB2  LYS  35           2HB      LYS  35  -5.516 -10.187  -4.323
  260    HB3  LYS  35           1HB      LYS  35  -6.060  -9.198  -2.967
  261    HG2  LYS  35           2HG      LYS  35  -8.048  -9.079  -4.042
  262    HG3  LYS  35           1HG      LYS  35  -7.249  -7.971  -5.154
  263    HD2  LYS  35           2HD      LYS  35  -6.579  -9.904  -6.566
  264    HD3  LYS  35           1HD      LYS  35  -7.449 -10.981  -5.474
  265    HE2  LYS  35           2HE      LYS  35  -8.873  -8.627  -6.724
  266    HE3  LYS  35           1HE      LYS  35  -8.697 -10.152  -7.613
  267    HZ1  LYS  35           3HZ      LYS  35 -10.719 -10.140  -6.261
  268    HZ2  LYS  35           1HZ      LYS  35  -9.797  -9.880  -4.862
  269    HZ3  LYS  35           2HZ      LYS  35  -9.634 -11.334  -5.727
  270    H    PHE  36           H        PHE  36  -5.045  -5.810  -5.413
  271    HA   PHE  36           HA       PHE  36  -5.584  -4.474  -2.783
  272    HD1  PHE  36           HD1      PHE  36  -6.292  -1.520  -4.728
  273    HD2  PHE  36           HD2      PHE  36  -2.784  -2.455  -2.428
  274    HE1  PHE  36           HE1      PHE  36  -6.421   0.696  -3.630
  275    HE2  PHE  36           HE2      PHE  36  -2.917  -0.236  -1.331
  276    HZ   PHE  36           HZ       PHE  36  -4.735   1.337  -1.929
  277    HB2  PHE  36           2HB      PHE  36  -3.487  -3.938  -4.103
  278    HB3  PHE  36           1HB      PHE  36  -4.519  -3.351  -5.401
  279    H    THR  37           H        THR  37  -7.540  -3.282  -2.640
  280    HA   THR  37           HA       THR  37  -9.101  -2.868  -5.154
  281    HB   THR  37           HB       THR  37 -11.095  -3.805  -3.847
  282    HG1  THR  37           HG1      THR  37 -10.187  -3.763  -1.794
  283   HG21  THR  37          3HG2      THR  37  -8.924  -5.859  -4.246
  284   HG22  THR  37          1HG2      THR  37  -9.640  -5.009  -5.617
  285   HG23  THR  37          2HG2      THR  37 -10.652  -6.006  -4.571
  286    H    VAL  38           H        VAL  38 -10.819  -1.281  -4.926
  287    HA   VAL  38           HA       VAL  38 -10.610   0.463  -2.499
  288    HB   VAL  38           HB       VAL  38 -10.775   1.245  -5.430
  289   HG11  VAL  38          1HG1      VAL  38 -10.493   3.023  -2.987
  290   HG12  VAL  38          2HG1      VAL  38 -12.008   2.772  -3.854
  291   HG13  VAL  38          3HG1      VAL  38 -10.647   3.546  -4.665
  292   HG21  VAL  38          3HG2      VAL  38  -8.525   2.272  -4.906
  293   HG22  VAL  38          1HG2      VAL  38  -8.541   0.510  -4.855
  294   HG23  VAL  38          2HG2      VAL  38  -8.569   1.435  -3.355
  295    H    LYS  39           H        LYS  39 -12.607   0.876  -1.589
  296    HA   LYS  39           HA       LYS  39 -15.041   0.508  -3.300
  297    HB2  LYS  39           2HB      LYS  39 -14.274  -1.304  -1.526
  298    HB3  LYS  39           1HB      LYS  39 -15.008  -0.184  -0.380
  299    HG2  LYS  39           2HG      LYS  39 -16.615  -0.746  -2.805
  300    HG3  LYS  39           1HG      LYS  39 -16.405  -2.109  -1.706
  301    HD2  LYS  39           2HD      LYS  39 -17.653  -1.143  -0.054
  302    HD3  LYS  39           1HD      LYS  39 -17.062   0.478  -0.415
  303    HE2  LYS  39           2HE      LYS  39 -19.144   0.807  -1.306
  304    HE3  LYS  39           1HE      LYS  39 -18.525  -0.120  -2.686
  305    HZ1  LYS  39           3HZ      LYS  39 -19.246  -2.156  -1.625
  306    HZ2  LYS  39           1HZ      LYS  39 -20.566  -1.102  -1.775
  307    HZ3  LYS  39           2HZ      LYS  39 -19.806  -1.296  -0.269
  308    HA   PRO  40           HA       PRO  40 -15.227   4.620  -1.228
  309    HB2  PRO  40           2HB      PRO  40 -15.983   6.017  -3.446
  310    HB3  PRO  40           1HB      PRO  40 -14.286   5.659  -3.074
  311    HG2  PRO  40           2HG      PRO  40 -16.098   4.387  -5.042
  312    HG3  PRO  40           1HG      PRO  40 -14.357   4.669  -5.130
  313    HD2  PRO  40           2HD      PRO  40 -15.556   2.247  -4.533
  314    HD3  PRO  40           1HD      PRO  40 -13.874   2.679  -4.163
  315    H    TYR  41           H        TYR  41 -17.191   5.916  -0.818
  316    HA   TYR  41           HA       TYR  41 -19.725   4.842  -1.958
  317    HD1  TYR  41           HD1      TYR  41 -18.768   6.481   2.043
  318    HD2  TYR  41           HD2      TYR  41 -17.955   2.586   0.428
  319    HE1  TYR  41           HE1      TYR  41 -16.866   6.228   3.612
  320    HE2  TYR  41           HE2      TYR  41 -16.049   2.336   1.994
  321    HH   TYR  41           HH       TYR  41 -15.638   3.922   4.646
  322    HB2  TYR  41           2HB      TYR  41 -20.411   5.309   0.667
  323    HB3  TYR  41           1HB      TYR  41 -20.075   3.731  -0.019
  324    H    LEU  42           H        LEU  42 -21.597   6.303  -1.048
  325    HA   LEU  42           HA       LEU  42 -20.678   9.148  -0.922
  326    HG   LEU  42           HG       LEU  42 -21.464  10.695  -2.094
  327    HB2  LEU  42           2HB      LEU  42 -21.421   8.101  -3.227
  328    HB3  LEU  42           1HB      LEU  42 -23.045   8.324  -2.578
  329   HD11  LEU  42          1HD1      LEU  42 -21.242  11.371  -4.501
  330   HD12  LEU  42          2HD1      LEU  42 -21.619   9.710  -4.957
  331   HD13  LEU  42          3HD1      LEU  42 -20.155  10.062  -4.039
  332   HD21  LEU  42          3HD2      LEU  42 -23.343  11.741  -3.323
  333   HD22  LEU  42          1HD2      LEU  42 -23.928  10.582  -2.130
  334   HD23  LEU  42          2HD2      LEU  42 -23.889  10.145  -3.838
  335    H    LYS  43           H        LYS  43 -22.226  10.598   0.011
  336    HA   LYS  43           HA       LYS  43 -24.481   9.330   1.520
  337    HB2  LYS  43           2HB      LYS  43 -22.133  10.021   2.633
  338    HB3  LYS  43           1HB      LYS  43 -22.910  11.603   2.661
  339    HG2  LYS  43           2HG      LYS  43 -24.553  10.924   4.145
  340    HG3  LYS  43           1HG      LYS  43 -24.486   9.245   3.614
  341    HD2  LYS  43           2HD      LYS  43 -23.074   8.747   5.290
  342    HD3  LYS  43           1HD      LYS  43 -21.929   9.952   4.702
  343    HE2  LYS  43           2HE      LYS  43 -24.339  10.733   6.366
  344    HE3  LYS  43           1HE      LYS  43 -22.786  10.296   7.104
  345    HZ1  LYS  43           3HZ      LYS  43 -21.777  11.915   5.442
  346    HZ2  LYS  43           1HZ      LYS  43 -22.637  12.593   6.737
  347    HZ3  LYS  43           2HZ      LYS  43 -23.355  12.495   5.201
  348    H    ARG  44           H        ARG  44 -25.861  11.295   2.456
  349    HA   ARG  44           HA       ARG  44 -27.266  12.607   0.497
  350    HE   ARG  44           HE       ARG  44 -25.445  13.126   6.105
  351    HB2  ARG  44           2HB      ARG  44 -27.884  14.231   2.286
  352    HB3  ARG  44           1HB      ARG  44 -27.885  12.564   2.857
  353    HG2  ARG  44           2HG      ARG  44 -25.557  12.933   3.737
  354    HG3  ARG  44           1HG      ARG  44 -25.714  14.635   3.300
  355    HD2  ARG  44           2HD      ARG  44 -27.450  15.002   4.882
  356    HD3  ARG  44           1HD      ARG  44 -27.747  13.263   5.075
  357   HH11  ARG  44          2HH1      ARG  44 -24.426  15.828   5.460
  358   HH12  ARG  44          1HH1      ARG  44 -24.723  16.714   6.920
  359   HH21  ARG  44          1HH2      ARG  44 -26.984  14.392   8.177
  360   HH22  ARG  44          2HH2      ARG  44 -26.175  15.897   8.464
  361    H    PHE  45           H        PHE  45 -24.245  13.821   1.950
  362    HA   PHE  45           HA       PHE  45 -23.833  15.555  -0.405
  363    HD1  PHE  45           HD1      PHE  45 -22.852  18.210  -0.477
  364    HD2  PHE  45           HD2      PHE  45 -26.801  17.354   0.982
  365    HE1  PHE  45           HE1      PHE  45 -23.808  19.783  -2.138
  366    HE2  PHE  45           HE2      PHE  45 -27.755  18.926  -0.679
  367    HZ   PHE  45           HZ       PHE  45 -26.260  20.141  -2.239
  368    HB2  PHE  45           2HB      PHE  45 -24.938  16.457   2.097
  369    HB3  PHE  45           1HB      PHE  45 -23.352  17.194   1.877
  370    H    GLN  46           H        GLN  46 -22.461  13.212   0.986
  371    HA   GLN  46           HA       GLN  46 -19.759  14.477   1.166
  372    HB2  GLN  46           2HB      GLN  46 -21.228  12.829   3.216
  373    HB3  GLN  46           1HB      GLN  46 -19.465  12.821   3.174
  374    HG2  GLN  46           2HG      GLN  46 -19.300  15.066   3.760
  375    HG3  GLN  46           1HG      GLN  46 -20.899  15.456   3.129
  376   HE21  GLN  46          1HE2      GLN  46 -19.190  14.041   5.907
  377   HE22  GLN  46          2HE2      GLN  46 -20.522  14.080   6.959
  378    H    VAL  47           H        VAL  47 -18.147  13.193   0.273
  379    HA   VAL  47           HA       VAL  47 -18.916  10.430  -0.610
  380    HB   VAL  47           HB       VAL  47 -17.058  12.427  -1.950
  381   HG11  VAL  47          1HG1      VAL  47 -18.113   9.694  -2.703
  382   HG12  VAL  47          2HG1      VAL  47 -16.433  10.218  -2.594
  383   HG13  VAL  47          3HG1      VAL  47 -17.458  10.809  -3.901
  384   HG21  VAL  47          3HG2      VAL  47 -19.993  11.913  -2.178
  385   HG22  VAL  47          1HG2      VAL  47 -19.105  12.205  -3.673
  386   HG23  VAL  47          2HG2      VAL  47 -19.099  13.417  -2.393
  387    H    TYR  48           H        TYR  48 -17.631   8.872   0.323
  388    HA   TYR  48           HA       TYR  48 -14.929   9.715   1.324
  389    HD1  TYR  48           HD2      TYR  48 -14.440  10.190   3.718
  390    HD2  TYR  48           HD1      TYR  48 -18.615   9.257   3.312
  391    HE1  TYR  48           HE2      TYR  48 -15.013  12.117   5.171
  392    HE2  TYR  48           HE1      TYR  48 -19.186  11.183   4.765
  393    HH   TYR  48           HH       TYR  48 -17.064  12.700   6.731
  394    HB2  TYR  48           2HB      TYR  48 -17.022   7.812   2.393
  395    HB3  TYR  48           1HB      TYR  48 -15.370   7.836   3.007
  396    H    TYR  49           H        TYR  49 -13.189   8.441   0.731
  397    HA   TYR  49           HA       TYR  49 -13.733   6.187  -1.156
  398    HD1  TYR  49           HD2      TYR  49 -14.365   8.431  -2.082
  399    HD2  TYR  49           HD1      TYR  49 -10.629   6.981  -3.631
  400    HE1  TYR  49           HE2      TYR  49 -15.143   8.888  -4.392
  401    HE2  TYR  49           HE1      TYR  49 -11.402   7.449  -5.938
  402    HH   TYR  49           HH       TYR  49 -13.294   9.232  -6.918
  403    HB2  TYR  49           2HB      TYR  49 -11.720   8.331  -0.820
  404    HB3  TYR  49           1HB      TYR  49 -11.072   6.782  -1.347
  405    H    LYS  50           H        LYS  50 -13.175   4.120  -0.531
  406    HA   LYS  50           HA       LYS  50 -11.370   3.796   1.845
  407    HB2  LYS  50           2HB      LYS  50 -13.921   3.369   2.062
  408    HB3  LYS  50           1HB      LYS  50 -13.623   1.930   1.090
  409    HG2  LYS  50           2HG      LYS  50 -11.677   2.191   3.244
  410    HG3  LYS  50           1HG      LYS  50 -13.326   2.146   3.864
  411    HD2  LYS  50           2HD      LYS  50 -12.840   0.191   1.727
  412    HD3  LYS  50           1HD      LYS  50 -11.833  -0.068   3.150
  413    HE2  LYS  50           2HE      LYS  50 -14.747   0.502   3.586
  414    HE3  LYS  50           1HE      LYS  50 -14.277  -1.116   3.032
  415    HZ1  LYS  50           3HZ      LYS  50 -12.622  -1.191   4.820
  416    HZ2  LYS  50           1HZ      LYS  50 -14.192  -1.015   5.439
  417    HZ3  LYS  50           2HZ      LYS  50 -13.150   0.326   5.380
  418    H    GLY  51           H        GLY  51 -10.063   1.814   1.776
  419    HA2  GLY  51           2HA      GLY  51 -10.099   0.196  -0.657
  420    HA3  GLY  51           1HA      GLY  51  -8.698   1.252  -0.532
  421    H    ARG  52           H        ARG  52  -9.104  -1.763  -0.366
  422    HA   ARG  52           HA       ARG  52  -7.405  -2.164   2.053
  423    HE   ARG  52           HE       ARG  52 -10.492  -6.331   2.899
  424    HB2  ARG  52           2HB      ARG  52  -9.775  -2.637   2.613
  425    HB3  ARG  52           1HB      ARG  52  -9.853  -3.784   1.275
  426    HG2  ARG  52           2HG      ARG  52  -8.480  -5.334   2.339
  427    HG3  ARG  52           1HG      ARG  52  -7.701  -4.109   3.341
  428    HD2  ARG  52           2HD      ARG  52  -9.122  -4.693   5.010
  429    HD3  ARG  52           1HD      ARG  52 -10.445  -4.028   4.033
  430   HH11  ARG  52          1HH2      ARG  52 -11.592  -6.202   5.773
  431   HH12  ARG  52          2HH2      ARG  52 -10.902  -7.643   6.443
  432   HH21  ARG  52          2HH1      ARG  52  -8.579  -8.032   3.883
  433   HH22  ARG  52          1HH1      ARG  52  -9.186  -8.681   5.369
  434    H    MET  53           H        MET  53  -5.883  -3.878   1.779
  435    HA   MET  53           HA       MET  53  -5.998  -5.364  -0.807
  436    HB2  MET  53           2HB      MET  53  -3.673  -4.759  -1.247
  437    HB3  MET  53           1HB      MET  53  -4.625  -3.295  -1.016
  438    HG2  MET  53           2HG      MET  53  -3.569  -2.759   0.945
  439    HG3  MET  53           1HG      MET  53  -3.389  -4.441   1.432
  440    HE1  MET  53           3HE      MET  53  -1.292  -5.865  -1.046
  441    HE2  MET  53           1HE      MET  53  -2.183  -6.015   0.474
  442    HE3  MET  53           2HE      MET  53  -0.437  -5.784   0.492
  443    H    TRP  54           H        TRP  54  -4.741  -7.312  -0.828
  444    HA   TRP  54           HA       TRP  54  -3.436  -8.251   1.641
  445    HD1  TRP  54           HD1      TRP  54  -5.692 -11.508  -0.386
  446    HE1  TRP  54           HE1      TRP  54  -7.658 -11.235  -2.031
  447    HE3  TRP  54           HE3      TRP  54  -7.356  -6.877   0.986
  448    HZ2  TRP  54           HZ2      TRP  54  -9.667  -9.304  -2.681
  449    HZ3  TRP  54           HZ3      TRP  54  -9.292  -5.845  -0.162
  450    HH2  TRP  54           HH2      TRP  54 -10.450  -7.052  -1.993
  451    HB2  TRP  54           2HB      TRP  54  -5.006 -10.211   1.804
  452    HB3  TRP  54           1HB      TRP  54  -5.784  -8.668   2.139
  453    H    CYS  55           H        CYS  55  -2.013  -9.999   1.206
  454    HA   CYS  55           HA       CYS  55  -1.762 -10.714  -1.692
  455    HB2  CYS  55           2HB      CYS  55   0.222 -10.531   0.586
  456    HB3  CYS  55           1HB      CYS  55   0.639 -11.129  -1.017
  457    HA   PRO  56           HA       PRO  56  -2.809 -14.698   0.311
  458    HB2  PRO  56           2HB      PRO  56  -4.397 -15.624  -1.718
  459    HB3  PRO  56           1HB      PRO  56  -5.000 -14.569  -0.425
  460    HG2  PRO  56           2HG      PRO  56  -4.321 -13.920  -3.231
  461    HG3  PRO  56           1HG      PRO  56  -5.553 -13.219  -2.173
  462    HD2  PRO  56           2HD      PRO  56  -3.107 -12.060  -2.776
  463    HD3  PRO  56           1HD      PRO  56  -4.134 -11.627  -1.406
  464    H    GLY  57           H        GLY  57  -0.477 -15.103  -0.143
  465    HA2  GLY  57           2HA      GLY  57   0.229 -17.331  -1.502
  466    HA3  GLY  57           1HA      GLY  57   0.230 -16.143  -2.803
  467    H    TRP  58           H        TRP  58   1.236 -13.901  -1.484
  468    HA   TRP  58           HA       TRP  58   4.078 -14.505  -1.387
  469    HD1  TRP  58           HD1      TRP  58   5.829 -13.524  -0.409
  470    HE1  TRP  58           HE1      TRP  58   7.558 -11.694   0.135
  471    HE3  TRP  58           HE3      TRP  58   3.041  -9.358  -1.382
  472    HZ2  TRP  58           HZ2      TRP  58   7.738  -8.839   0.153
  473    HZ3  TRP  58           HZ3      TRP  58   4.015  -7.100  -1.095
  474    HH2  TRP  58           HH2      TRP  58   6.358  -6.834  -0.330
  475    HB2  TRP  58           2HB      TRP  58   3.152 -12.430  -2.321
  476    HB3  TRP  58           1HB      TRP  58   2.441 -12.022  -0.768
  477    H    THR  59           H        THR  59   1.967 -12.922   1.045
  478    HA   THR  59           HA       THR  59   3.310 -14.484   3.191
  479    HB   THR  59           HB       THR  59   4.574 -12.385   2.883
  480    HG1  THR  59           HG1      THR  59   4.638 -12.679   4.963
  481   HG21  THR  59          3HG2      THR  59   2.813 -10.388   3.753
  482   HG22  THR  59          1HG2      THR  59   1.893 -11.303   2.559
  483   HG23  THR  59          2HG2      THR  59   3.445 -10.591   2.120
  484    H    ALA  60           H        ALA  60   2.091 -13.139   5.345
  485    HA   ALA  60           HA       ALA  60  -0.831 -13.531   4.786
  486    HB1  ALA  60           3HB      ALA  60   0.810 -14.214   7.248
  487    HB2  ALA  60           1HB      ALA  60   0.220 -15.371   6.054
  488    HB3  ALA  60           2HB      ALA  60  -0.923 -14.492   7.070
  489    H    ILE  61           H        ILE  61   0.352 -10.963   4.572
  490    HA   ILE  61           HA       ILE  61  -0.651  -9.605   7.052
  491    HB   ILE  61           HB       ILE  61   1.673  -9.014   5.197
  492   HG12  ILE  61          2HG1      ILE  61   1.567  -9.326   8.214
  493   HG13  ILE  61          1HG1      ILE  61   1.923 -10.658   7.114
  494   HG21  ILE  61          1HG2      ILE  61   0.871  -6.848   5.558
  495   HG22  ILE  61          2HG2      ILE  61   1.964  -7.054   6.925
  496   HG23  ILE  61          3HG2      ILE  61   0.226  -7.243   7.150
  497   HD11  ILE  61          3HD1      ILE  61   3.800  -9.243   6.166
  498   HD12  ILE  61          1HD1      ILE  61   4.036  -9.761   7.836
  499   HD13  ILE  61          2HD1      ILE  61   3.518  -8.111   7.489
  500    H    ARG  62           H        ARG  62  -2.099  -7.902   6.722
  501    HA   ARG  62           HA       ARG  62  -2.772  -7.206   3.886
  502    HE   ARG  62           HE       ARG  62  -3.551 -11.398   6.123
  503    HB2  ARG  62           2HB      ARG  62  -4.633  -7.414   6.272
  504    HB3  ARG  62           1HB      ARG  62  -5.102  -7.157   4.596
  505    HG2  ARG  62           2HG      ARG  62  -5.064  -9.369   4.167
  506    HG3  ARG  62           1HG      ARG  62  -3.444  -9.530   4.843
  507    HD2  ARG  62           2HD      ARG  62  -4.684  -9.326   7.160
  508    HD3  ARG  62           1HD      ARG  62  -6.103  -9.830   6.222
  509   HH11  ARG  62          1HH2      ARG  62  -6.094 -11.607   8.103
  510   HH12  ARG  62          2HH2      ARG  62  -6.762 -13.081   7.489
  511   HH21  ARG  62          2HH1      ARG  62  -4.777 -13.111   4.638
  512   HH22  ARG  62          1HH1      ARG  62  -6.013 -13.936   5.527
  513    H    GLY  63           H        GLY  63  -4.021  -5.060   3.810
  514    HA2  GLY  63           2HA      GLY  63  -3.513  -3.178   6.002
  515    HA3  GLY  63           1HA      GLY  63  -2.556  -2.867   4.555
  516    H    GLU  64           H        GLU  64  -5.013  -1.548   5.950
  517    HA   GLU  64           HA       GLU  64  -6.476  -1.012   3.406
  518    HB2  GLU  64           2HB      GLU  64  -7.939  -2.531   4.395
  519    HB3  GLU  64           1HB      GLU  64  -7.507  -2.044   6.032
  520    HG2  GLU  64           2HG      GLU  64  -8.741   0.044   5.777
  521    HG3  GLU  64           1HG      GLU  64  -9.069  -0.318   4.084
  522    H    ALA  65           H        ALA  65  -7.687   1.031   3.495
  523    HA   ALA  65           HA       ALA  65  -7.287   2.898   5.710
  524    HB1  ALA  65           3HB      ALA  65  -5.065   3.006   4.828
  525    HB2  ALA  65           1HB      ALA  65  -5.885   4.441   4.213
  526    HB3  ALA  65           2HB      ALA  65  -5.652   3.042   3.167
  527    H    SER  66           H        SER  66  -8.546   4.827   5.405
  528    HA   SER  66           HA       SER  66 -10.051   5.071   2.837
  529    HG   SER  66           HG       SER  66 -10.824   3.505   5.991
  530    HB2  SER  66           2HB      SER  66 -11.570   5.396   5.379
  531    HB3  SER  66           1HB      SER  66 -12.100   4.737   3.838
  532    H    THR  67           H        THR  67 -10.554   7.211   2.313
  533    HA   THR  67           HA       THR  67 -10.573   9.373   4.260
  534    HB   THR  67           HB       THR  67  -8.164   8.920   4.153
  535    HG1  THR  67           HG1      THR  67  -8.695  11.080   4.306
  536   HG21  THR  67          3HG2      THR  67  -8.581   9.209   1.172
  537   HG22  THR  67          1HG2      THR  67  -7.932   7.820   2.043
  538   HG23  THR  67          2HG2      THR  67  -6.992   9.308   1.931
  539    H    ARG  68           H        ARG  68 -10.646  11.565   3.013
  540    HA   ARG  68           HA       ARG  68 -12.660  11.393   0.939
  541    HE   ARG  68           HE       ARG  68 -14.420  15.308  -0.516
  542    HB2  ARG  68           2HB      ARG  68 -11.840  13.230   2.784
  543    HB3  ARG  68           1HB      ARG  68 -11.134  13.906   1.317
  544    HG2  ARG  68           2HG      ARG  68 -13.499  13.436   0.283
  545    HG3  ARG  68           1HG      ARG  68 -14.026  13.413   1.966
  546    HD2  ARG  68           2HD      ARG  68 -13.475  15.671   2.309
  547    HD3  ARG  68           1HD      ARG  68 -12.324  15.693   0.956
  548   HH11  ARG  68          1HH2      ARG  68 -16.321  15.328   1.835
  549   HH12  ARG  68          2HH2      ARG  68 -16.905  16.958   1.802
  550   HH21  ARG  68          2HH1      ARG  68 -14.358  18.104  -0.268
  551   HH22  ARG  68          1HH1      ARG  68 -15.791  18.535   0.605
  552    H    SER  69           H        SER  69  -9.151  11.641   0.888
  553    HA   SER  69           HA       SER  69  -8.846  12.696  -1.772
  554    HG   SER  69           HG       SER  69  -7.100  12.505   1.138
  555    HB2  SER  69           2HB      SER  69  -6.657  11.009  -1.136
  556    HB3  SER  69           1HB      SER  69  -6.748  12.754  -0.943
  557    H    GLN  70           H        GLN  70  -8.760  11.655  -3.745
  558    HA   GLN  70           HA       GLN  70  -9.932   9.004  -4.002
  559    HB2  GLN  70           2HB      GLN  70 -10.372  10.832  -5.578
  560    HB3  GLN  70           1HB      GLN  70  -8.657  10.936  -5.968
  561    HG2  GLN  70           2HG      GLN  70  -8.728   9.127  -7.348
  562    HG3  GLN  70           1HG      GLN  70  -9.824   8.241  -6.291
  563   HE21  GLN  70          1HE2      GLN  70 -10.068   8.599  -9.251
  564   HE22  GLN  70          2HE2      GLN  70 -11.561   9.367  -9.504
  565    H    SER  71           H        SER  71  -6.732  10.356  -4.918
  566    HA   SER  71           HA       SER  71  -5.619   7.666  -5.332
  567    HG   SER  71           HG       SER  71  -3.980   9.051  -7.607
  568    HB2  SER  71           2HB      SER  71  -4.754  10.520  -5.636
  569    HB3  SER  71           1HB      SER  71  -3.512   9.274  -5.565
  570    H    GLY  72           H        GLY  72  -5.571  10.187  -2.864
  571    HA2  GLY  72           2HA      GLY  72  -3.343   9.332  -1.333
  572    HA3  GLY  72           1HA      GLY  72  -4.734  10.195  -0.679
  573    H    VAL  73           H        VAL  73  -6.740   8.209  -1.274
  574    HA   VAL  73           HA       VAL  73  -6.524   6.528   1.026
  575    HB   VAL  73           HB       VAL  73  -8.576   7.305  -0.360
  576   HG11  VAL  73          1HG1      VAL  73  -7.674   6.290  -2.500
  577   HG12  VAL  73          2HG1      VAL  73  -9.339   5.862  -2.112
  578   HG13  VAL  73          3HG1      VAL  73  -8.041   4.708  -1.812
  579   HG21  VAL  73          3HG2      VAL  73  -9.831   5.206   0.272
  580   HG22  VAL  73          1HG2      VAL  73  -8.847   5.883   1.570
  581   HG23  VAL  73          2HG2      VAL  73  -8.277   4.474   0.675
  582    H    ALA  74           H        ALA  74  -5.756   5.913  -2.392
  583    HA   ALA  74           HA       ALA  74  -5.248   3.089  -2.117
  584    HB1  ALA  74           3HB      ALA  74  -3.991   3.522  -4.294
  585    HB2  ALA  74           1HB      ALA  74  -4.353   5.233  -4.066
  586    HB3  ALA  74           2HB      ALA  74  -5.665   4.074  -4.278
  587    H    GLY  75           H        GLY  75  -3.136   5.961  -1.941
  588    HA2  GLY  75           2HA      GLY  75  -0.693   4.497  -1.567
  589    HA3  GLY  75           1HA      GLY  75  -0.936   6.196  -1.159
  590    H    LYS  76           H        LYS  76  -3.148   5.773   0.656
  591    HA   LYS  76           HA       LYS  76  -1.723   5.262   3.096
  592    HB2  LYS  76           2HB      LYS  76  -4.607   5.631   2.288
  593    HB3  LYS  76           1HB      LYS  76  -4.178   5.285   3.964
  594    HG2  LYS  76           2HG      LYS  76  -2.382   7.267   3.333
  595    HG3  LYS  76           1HG      LYS  76  -3.798   7.759   2.405
  596    HD2  LYS  76           2HD      LYS  76  -5.168   7.451   4.514
  597    HD3  LYS  76           1HD      LYS  76  -3.650   7.234   5.384
  598    HE2  LYS  76           2HE      LYS  76  -3.609   9.498   5.606
  599    HE3  LYS  76           1HE      LYS  76  -3.243   9.563   3.872
  600    HZ1  LYS  76           3HZ      LYS  76  -5.244  10.824   4.342
  601    HZ2  LYS  76           1HZ      LYS  76  -5.959   9.476   5.084
  602    HZ3  LYS  76           2HZ      LYS  76  -5.632   9.453   3.416
  603    H    THR  77           H        THR  77  -3.984   3.264   1.161
  604    HA   THR  77           HA       THR  77  -4.160   1.069   3.002
  605    HB   THR  77           HB       THR  77  -4.373   1.269  -0.024
  606    HG1  THR  77           HG1      THR  77  -6.449   1.055   1.879
  607   HG21  THR  77          3HG2      THR  77  -3.981  -1.062   0.677
  608   HG22  THR  77          1HG2      THR  77  -5.632  -0.847   0.094
  609   HG23  THR  77          2HG2      THR  77  -5.313  -0.942   1.826
  610    H    ALA  78           H        ALA  78  -1.943   1.783   0.307
  611    HA   ALA  78           HA       ALA  78  -0.397  -0.649   0.540
  612    HB1  ALA  78           3HB      ALA  78  -0.544   0.794  -1.474
  613    HB2  ALA  78           1HB      ALA  78   1.130   0.592  -0.959
  614    HB3  ALA  78           2HB      ALA  78   0.270   2.088  -0.595
  615    H    LYS  79           H        LYS  79  -0.096   2.638   1.873
  616    HA   LYS  79           HA       LYS  79   2.479   2.365   3.092
  617    HB2  LYS  79           2HB      LYS  79   1.024   4.438   2.670
  618    HB3  LYS  79           1HB      LYS  79   0.134   3.982   4.121
  619    HG2  LYS  79           2HG      LYS  79   2.610   3.835   5.129
  620    HG3  LYS  79           1HG      LYS  79   2.924   5.011   3.854
  621    HD2  LYS  79           2HD      LYS  79   0.453   5.603   5.289
  622    HD3  LYS  79           1HD      LYS  79   1.848   5.565   6.369
  623    HE2  LYS  79           2HE      LYS  79   3.050   7.130   4.850
  624    HE3  LYS  79           1HE      LYS  79   1.606   7.212   3.824
  625    HZ1  LYS  79           3HZ      LYS  79   0.320   7.960   5.720
  626    HZ2  LYS  79           1HZ      LYS  79   1.637   9.001   5.481
  627    HZ3  LYS  79           2HZ      LYS  79   1.683   7.851   6.730
  628    H    ASP  80           H        ASP  80  -0.807   1.635   4.292
  629    HA   ASP  80           HA       ASP  80   0.026   0.945   6.970
  630    HB2  ASP  80           2HB      ASP  80  -2.387   0.509   5.220
  631    HB3  ASP  80           1HB      ASP  80  -2.289  -0.304   6.781
  632    H    PHE  81           H        PHE  81  -0.416  -0.935   3.975
  633    HA   PHE  81           HA       PHE  81   0.102  -3.515   5.197
  634    HD1  PHE  81           HD2      PHE  81  -0.299  -5.758   4.003
  635    HD2  PHE  81           HD1      PHE  81   1.777  -3.439   1.043
  636    HE1  PHE  81           HE2      PHE  81   0.850  -7.805   3.202
  637    HE2  PHE  81           HE1      PHE  81   2.923  -5.488   0.242
  638    HZ   PHE  81           HZ       PHE  81   2.460  -7.671   1.323
  639    HB2  PHE  81           2HB      PHE  81  -1.097  -3.394   3.117
  640    HB3  PHE  81           1HB      PHE  81   0.159  -2.405   2.375
  641    H    VAL  82           H        VAL  82   2.121  -1.062   3.566
  642    HA   VAL  82           HA       VAL  82   4.538  -2.638   3.567
  643    HB   VAL  82           HB       VAL  82   3.710  -0.375   2.351
  644   HG11  VAL  82          1HG1      VAL  82   3.869   0.913   4.508
  645   HG12  VAL  82          2HG1      VAL  82   4.855   1.574   3.209
  646   HG13  VAL  82          3HG1      VAL  82   5.606   0.626   4.492
  647   HG21  VAL  82          3HG2      VAL  82   6.574  -1.101   3.019
  648   HG22  VAL  82          1HG2      VAL  82   6.083  -0.033   1.704
  649   HG23  VAL  82          2HG2      VAL  82   5.622  -1.735   1.677
  650    H    ARG  83           H        ARG  83   3.053  -0.411   5.909
  651    HA   ARG  83           HA       ARG  83   5.318  -0.208   7.689
  652    HE   ARG  83           HE       ARG  83   5.137   0.630  11.693
  653    HB2  ARG  83           2HB      ARG  83   3.152   1.184   7.559
  654    HB3  ARG  83           1HB      ARG  83   2.383  -0.134   8.441
  655    HG2  ARG  83           2HG      ARG  83   4.944   0.809   9.589
  656    HG3  ARG  83           1HG      ARG  83   3.625   1.979   9.647
  657    HD2  ARG  83           2HD      ARG  83   2.407   0.729  11.147
  658    HD3  ARG  83           1HD      ARG  83   2.935  -0.811  10.444
  659   HH11  ARG  83          1HH2      ARG  83   4.208  -2.401  11.628
  660   HH12  ARG  83          2HH2      ARG  83   4.067  -2.681  13.330
  661   HH21  ARG  83          2HH1      ARG  83   4.193   0.689  14.166
  662   HH22  ARG  83          1HH1      ARG  83   4.057  -0.928  14.770
  663    H    LYS  84           H        LYS  84   2.528  -2.433   7.523
  664    HA   LYS  84           HA       LYS  84   3.216  -3.956   9.879
  665    HB2  LYS  84           2HB      LYS  84   1.263  -3.939   7.738
  666    HB3  LYS  84           1HB      LYS  84   1.837  -5.583   8.011
  667    HG2  LYS  84           2HG      LYS  84   1.510  -4.625  10.586
  668    HG3  LYS  84           1HG      LYS  84   0.162  -3.886   9.721
  669    HD2  LYS  84           2HD      LYS  84  -0.732  -5.952  10.381
  670    HD3  LYS  84           1HD      LYS  84  -0.201  -6.272   8.731
  671    HE2  LYS  84           2HE      LYS  84   0.936  -8.033   9.646
  672    HE3  LYS  84           1HE      LYS  84   2.085  -6.809  10.218
  673    HZ1  LYS  84           3HZ      LYS  84   1.220  -8.148  12.059
  674    HZ2  LYS  84           1HZ      LYS  84  -0.365  -7.681  11.666
  675    HZ3  LYS  84           2HZ      LYS  84   0.753  -6.520  12.209
  676    H    ALA  85           H        ALA  85   3.998  -4.273   6.421
  677    HA   ALA  85           HA       ALA  85   5.406  -6.785   6.612
  678    HB1  ALA  85           3HB      ALA  85   4.456  -5.654   4.552
  679    HB2  ALA  85           1HB      ALA  85   6.118  -6.216   4.362
  680    HB3  ALA  85           2HB      ALA  85   5.793  -4.506   4.645
  681    H    PHE  86           H        PHE  86   6.364  -3.383   6.969
  682    HA   PHE  86           HA       PHE  86   9.213  -3.779   7.038
  683    HD1  PHE  86           HD2      PHE  86  10.947  -1.639   7.899
  684    HD2  PHE  86           HD1      PHE  86   7.620  -0.895   5.288
  685    HE1  PHE  86           HE2      PHE  86  12.476  -0.593   6.251
  686    HE2  PHE  86           HE1      PHE  86   9.149   0.151   3.640
  687    HZ   PHE  86           HZ       PHE  86  11.576   0.301   4.122
  688    HB2  PHE  86           2HB      PHE  86   7.236  -1.692   7.478
  689    HB3  PHE  86           1HB      PHE  86   8.500  -1.601   8.698
  690    H    GLN  87           H        GLN  87   6.682  -3.794   9.548
  691    HA   GLN  87           HA       GLN  87   8.393  -4.048  11.837
  692    HB2  GLN  87           2HB      GLN  87   5.960  -3.421  11.744
  693    HB3  GLN  87           1HB      GLN  87   5.583  -5.101  11.378
  694    HG2  GLN  87           2HG      GLN  87   7.233  -5.283  13.612
  695    HG3  GLN  87           1HG      GLN  87   6.238  -3.866  13.950
  696   HE21  GLN  87          1HE2      GLN  87   4.593  -4.636  15.320
  697   HE22  GLN  87          2HE2      GLN  87   3.631  -5.995  14.991
  698    H    LYS  88           H        LYS  88   6.857  -6.485   9.722
  699    HA   LYS  88           HA       LYS  88   7.807  -8.758  11.279
  700    HB2  LYS  88           2HB      LYS  88   6.013  -8.213   9.149
  701    HB3  LYS  88           1HB      LYS  88   7.190  -9.366   8.522
  702    HG2  LYS  88           2HG      LYS  88   5.797  -9.741  11.183
  703    HG3  LYS  88           1HG      LYS  88   5.161 -10.392   9.672
  704    HD2  LYS  88           2HD      LYS  88   7.156 -11.721   9.329
  705    HD3  LYS  88           1HD      LYS  88   7.949 -10.964  10.712
  706    HE2  LYS  88           2HE      LYS  88   5.882 -11.859  12.064
  707    HE3  LYS  88           1HE      LYS  88   5.702 -12.971  10.693
  708    HZ1  LYS  88           3HZ      LYS  88   7.190 -13.930  12.321
  709    HZ2  LYS  88           1HZ      LYS  88   8.170 -12.545  12.300
  710    HZ3  LYS  88           2HZ      LYS  88   8.067 -13.535  10.921
  711    H    GLY  89           H        GLY  89   8.731  -7.478   8.051
  712    HA2  GLY  89           2HA      GLY  89  11.296  -7.198   7.877
  713    HA3  GLY  89           1HA      GLY  89  11.326  -8.898   8.332
  714    H    LEU  90           H        LEU  90   9.363  -6.996   6.009
  715    HA   LEU  90           HA       LEU  90  10.079  -9.038   3.935
  716    HG   LEU  90           HG       LEU  90   7.912 -10.149   5.118
  717    HB2  LEU  90           2HB      LEU  90   7.551  -7.759   4.813
  718    HB3  LEU  90           1HB      LEU  90   7.745  -7.919   3.069
  719   HD11  LEU  90          1HD1      LEU  90   6.038  -9.954   2.764
  720   HD12  LEU  90          2HD1      LEU  90   5.644  -9.172   4.296
  721   HD13  LEU  90          3HD1      LEU  90   5.871 -10.920   4.230
  722   HD21  LEU  90          3HD2      LEU  90   8.696  -9.975   2.229
  723   HD22  LEU  90          1HD2      LEU  90   7.952 -11.468   2.802
  724   HD23  LEU  90          2HD2      LEU  90   9.446 -10.889   3.538
  725    H    ILE  91           H        ILE  91   9.115  -5.605   4.356
  726    HA   ILE  91           HA       ILE  91  10.269  -4.916   1.728
  727    HB   ILE  91           HB       ILE  91   8.970  -3.223   3.896
  728   HG12  ILE  91          2HG1      ILE  91   7.505  -5.059   3.000
  729   HG13  ILE  91          1HG1      ILE  91   6.905  -3.447   2.621
  730   HG21  ILE  91          1HG2      ILE  91   8.452  -1.915   1.611
  731   HG22  ILE  91          2HG2      ILE  91   9.969  -2.681   1.139
  732   HG23  ILE  91          3HG2      ILE  91   9.919  -1.620   2.546
  733   HD11  ILE  91          3HD1      ILE  91   6.758  -4.867   0.632
  734   HD12  ILE  91          1HD1      ILE  91   8.472  -5.257   0.756
  735   HD13  ILE  91          2HD1      ILE  91   7.968  -3.612   0.372
  736    H    SER  92           H        SER  92  12.495  -5.604   2.522
  737    HA   SER  92           HA       SER  92  13.839  -4.061   4.589
  738    HG   SER  92           HG       SER  92  16.741  -5.750   3.103
  739    HB2  SER  92           2HB      SER  92  14.560  -6.293   4.079
  740    HB3  SER  92           1HB      SER  92  14.714  -5.925   2.367
  741    H    GLN  93           H        GLN  93  16.009  -2.903   3.873
  742    HA   GLN  93           HA       GLN  93  15.304  -0.590   2.313
  743    HB2  GLN  93           2HB      GLN  93  17.959  -1.690   3.291
  744    HB3  GLN  93           1HB      GLN  93  17.743  -0.066   2.639
  745    HG2  GLN  93           2HG      GLN  93  16.223  -1.152   5.028
  746    HG3  GLN  93           1HG      GLN  93  17.666  -0.148   5.146
  747   HE21  GLN  93          1HE2      GLN  93  14.354   0.085   5.274
  748   HE22  GLN  93          2HE2      GLN  93  14.163   1.685   4.739
  749    H    GLN  94           H        GLN  94  17.785  -3.093   1.610
  750    HA   GLN  94           HA       GLN  94  18.217  -2.259  -1.110
  751    HB2  GLN  94           2HB      GLN  94  18.632  -4.974   0.192
  752    HB3  GLN  94           1HB      GLN  94  19.458  -4.370  -1.245
  753    HG2  GLN  94           2HG      GLN  94  20.011  -2.356   0.487
  754    HG3  GLN  94           1HG      GLN  94  19.905  -3.706   1.616
  755   HE21  GLN  94          1HE2      GLN  94  21.675  -2.495  -1.231
  756   HE22  GLN  94          2HE2      GLN  94  22.992  -3.556  -1.066
  757    H    GLU  95           H        GLU  95  16.104  -4.732   0.340
  758    HA   GLU  95           HA       GLU  95  15.153  -5.882  -2.107
  759    HB2  GLU  95           2HB      GLU  95  14.259  -5.698   0.752
  760    HB3  GLU  95           1HB      GLU  95  13.155  -6.381  -0.440
  761    HG2  GLU  95           2HG      GLU  95  14.259  -8.327  -0.002
  762    HG3  GLU  95           1HG      GLU  95  15.473  -7.667  -1.097
  763    H    ALA  96           H        ALA  96  13.999  -3.134  -0.135
  764    HA   ALA  96           HA       ALA  96  11.601  -2.581  -1.612
  765    HB1  ALA  96           3HB      ALA  96  11.949  -0.289  -0.570
  766    HB2  ALA  96           1HB      ALA  96  13.505  -0.872   0.024
  767    HB3  ALA  96           2HB      ALA  96  12.010  -1.626   0.578
  768    H    ASN  97           H        ASN  97  14.998  -1.633  -2.066
  769    HA   ASN  97           HA       ASN  97  14.580   0.300  -4.145
  770    HB2  ASN  97           2HB      ASN  97  16.687  -0.610  -2.681
  771    HB3  ASN  97           1HB      ASN  97  16.986  -1.460  -4.199
  772   HD21  ASN  97          1HD2      ASN  97  15.932   1.872  -3.239
  773   HD22  ASN  97          2HD2      ASN  97  16.963   2.660  -4.330
  774    H    GLN  98           H        GLN  98  15.227  -3.217  -4.216
  775    HA   GLN  98           HA       GLN  98  15.017  -3.451  -7.109
  776    HB2  GLN  98           2HB      GLN  98  15.393  -5.138  -4.730
  777    HB3  GLN  98           1HB      GLN  98  14.430  -5.929  -5.978
  778    HG2  GLN  98           2HG      GLN  98  16.492  -6.483  -6.806
  779    HG3  GLN  98           1HG      GLN  98  16.382  -4.876  -7.525
  780   HE21  GLN  98          1HE2      GLN  98  17.279  -3.041  -6.017
  781   HE22  GLN  98          2HE2      GLN  98  18.670  -3.418  -5.120
  782    H    TRP  99           H        TRP  99  12.798  -3.757  -4.371
  783    HA   TRP  99           HA       TRP  99  10.499  -4.797  -5.721
  784    HD1  TRP  99           HD1      TRP  99   9.170  -6.349  -3.267
  785    HE1  TRP  99           HE1      TRP  99   6.600  -6.234  -3.150
  786    HE3  TRP  99           HE3      TRP  99   8.472  -1.370  -4.148
  787    HZ2  TRP  99           HZ2      TRP  99   4.540  -4.280  -3.397
  788    HZ3  TRP  99           HZ3      TRP  99   6.197  -0.425  -4.206
  789    HH2  TRP  99           HH2      TRP  99   4.227  -1.866  -3.836
  790    HB2  TRP  99           2HB      TRP  99  11.041  -4.523  -3.222
  791    HB3  TRP  99           1HB      TRP  99  10.569  -2.838  -3.408
  792    H    LEU 100           H        LEU 100  11.631  -1.457  -5.123
  793    HA   LEU 100           HA       LEU 100   9.351  -0.191  -6.411
  794    HG   LEU 100           HG       LEU 100  10.069   0.221  -3.940
  795    HB2  LEU 100           2HB      LEU 100  12.101   0.677  -5.494
  796    HB3  LEU 100           1HB      LEU 100  11.025   1.791  -6.332
  797   HD11  LEU 100          1HD1      LEU 100  10.571   2.731  -2.962
  798   HD12  LEU 100          2HD1      LEU 100  11.953   2.493  -4.030
  799   HD13  LEU 100          3HD1      LEU 100  11.635   1.344  -2.730
  800   HD21  LEU 100          3HD2      LEU 100   8.948   2.795  -4.072
  801   HD22  LEU 100          1HD2      LEU 100   8.166   1.283  -4.533
  802   HD23  LEU 100          2HD2      LEU 100   9.014   2.242  -5.745
  803    H    SER 101           H        SER 101  12.553  -1.287  -7.466
  804    HA   SER 101           HA       SER 101  12.643   0.029 -10.007
  805    HG   SER 101           HG       SER 101  14.752  -1.155  -7.841
  806    HB2  SER 101           2HB      SER 101  13.773  -2.616  -9.032
  807    HB3  SER 101           1HB      SER 101  14.275  -1.806 -10.512
  808    H    SER 102           HN       SER 102  11.478  -3.236  -9.092
  809    HA   SER 102           HA       SER 102   9.402  -3.189 -11.143
  810    HG   SER 102           HG       SER 102   9.649  -5.566 -12.649
  811    HB2  SER 102           2HB      SER 102  11.749  -3.737 -12.196
  812    HB3  SER 102           1HB      SER 102  11.510  -5.319 -11.459