*HEADER    MEMBRANE PROTEIN                        14-OCT-04   1XRD              
*TITLE     LIGHT-HARVESTING COMPLEX 1 ALFA SUBUNIT FROM WILD-TYPE                
*TITLE    2 RHODOSPIRILLUM RUBRUM                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LIGHT-HARVESTING PROTEIN B-880, ALPHA CHAIN;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: LH-1; ANTENNA PIGMENT PROTEIN, ALPHA CHAIN                  
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RHODOSPIRILLUM RUBRUM;                          
*SOURCE   3 ORGANISM_COMMON: BACTERIA                                            
*KEYWDS    MEMBRANE SPANNING HELIX, LIGHT-HARVESTING, PIGMENT BINDING,           
*KEYWDS   2 PHOTOSYNTHESIS                                                       
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Z.-Y.WANG, K.GOKAN, M.KOBAYASHI, T.NOZAWA                             
*REVDAT   1   15-MAR-05 1XRD    0                                                

! RRU LH1 alfa noe.pck   Fri Dec 26 2003

!M1
assign (resid 1 and name HN) (resid 1 and name HB#) 3.0 1.2 1.5     !# 1  151
assign (resid 1 and name HN) (resid 1 and name HG#) 4.0 2.2 1.5     !# 2  19
assign (resid 1 and name HN) (resid 1 and name HA) 3.0 1.2 1.5     !# 3  101
assign (resid 1 and name HN) (resid 2 and name HN) 2.0 0.2 1.5     !# 4  205

!W2
assign (resid 2 and name HN) (resid 2 and name HB#) 3.0 1.2 1.5     !# 5  73
assign (resid 2 and name HN) (resid 1 and name HA) 4.0 2.2 1.5     !# 6  34
assign (resid 2 and name HN) (resid 2 and name HA) 3.0 1.2 1.5     !# 7  85
assign (resid 2 and name HN) (resid 3 and name HN) 4.0 2.2 1.5     !# 8  43
assign (resid 2 and name HN) (resid 2 and name HE3) 4.0 2.2 1.5     !#   
assign (resid 2 and name HN) (resid 1 and name HN) 4.0 2.2 1.5     !# 6  

!R3
assign (resid 3 and name HN) (resid 3 and name HD#) 4.0 2.2 1.5     !# 10  50
assign (resid 3 and name HN) (resid 3 and name HG#) 3.0 1.2 1.5     !# 11  114
assign (resid 3 and name HN) (resid 3 and name HB#) 4.0 2.2 1.5     !# 12  62
assign (resid 3 and name HN) (resid 3 and name HA) 3.0 1.2 1.5     !# 13  117
assign (resid 3 and name HN) (resid 4 and name HN) 3.0 1.2 1.5     !# 13  184

!I4
assign (resid 4 and name HN) (resid 4 and name HD#) 3.0 1.2 1.5     !# 15  85
assign (resid 4 and name HN) (resid 4 and name HG2#) 4.0 2.2 1.5    !# 19  55
assign (resid 4 and name HN) (resid 4 and name HG1#) 3.0 1.2 1.5    !# 17  83
assign (resid 4 and name HN) (resid 4 and name HB) 3.0 1.2 1.5     !# 18  146
assign (resid 4 and name HN) (resid 4 and name HA) 4.0 2.2 1.5     !# 19  55
assign (resid 4 and name HN) (resid 3 and name HA) 4.0 2.2 1.5     !# 20 
assign (resid 4 and name HN) (resid 1 and name HA) 4.0 2.2 1.5     !# 21 
assign (resid 4 and name HN) (resid 3 and name HN) 4.0 2.2 1.5     !# 21  61

!W5
assign (resid 5 and name HN) (resid 4 and name HD#) 4.0 2.2 1.5     !# 21  38
assign (resid 5 and name HN) (resid 4 and name HB) 4.0 2.2 1.5     !# 22  36
assign (resid 5 and name HN) (resid 5 and name HB#) 3.0 1.2 1.5     !# 23  145
assign (resid 5 and name HN) (resid 4 and name HA) 4.0 2.2 1.5     !# 19  55  
assign (resid 5 and name HN) (resid 5 and name HA) 3.0 1.2 1.5     !# 25  91
assign (resid 5 and name HN) (resid 6 and name HN) 3.0 1.2 1.5     !# 27  110

!Q6
assign (resid 6 and name HN) (resid 6 and name HB#) 3.0 1.2 1.5     !# 27  78
assign (resid 6 and name HN) (resid 6 and name HG#) 4.0 2.2 1.5     !# 28  259
assign (resid 6 and name HN) (resid 5 and name HB#) 3.0 1.2 1.5     !# 29  138
assign (resid 6 and name HN) (resid 6 and name HA) 2.0 0.2 1.5     !# 30  230
assign (resid 6 and name HN) (resid 5 and name HA) 4.0 2.2 1.5     !# 31  63
assign (resid 6 and name HN) (resid 7 and name HN) 2.0 0.2 1.5      !# 33  214

!L7
assign (resid 7 and name HN) (resid 7 and name HD#) 4.0 2.2 1.5     !# 33  62
assign (resid 7 and name HN) (resid 7 and name HB#) 3.0 1.2 1.5     !# 34  112
assign (resid 7 and name HN) (resid 7 and name HG#) 2.0 0.2 1.5     !# 35  449
assign (resid 7 and name HN) (resid 6 and name HB#) 4.0 2.2 1.5     !# 36  56
assign (resid 7 and name HN) (resid 6 and name HG#) 4.0 2.2 1.5     !# 37  54
assign (resid 7 and name HN) (resid 4 and name HA)  4.0 2.2 1.5     !# 38  46
assign (resid 7 and name HN) (resid 7 and name HA) 3.0 1.2 1.5     !# 39  171
assign (resid 7 and name HN) (resid 8 and name HN) 3.0 1.2 1.5     !# 40  
assign (resid 7 and name HN) (resid 6 and name HN) 3.0 1.2 1.5     !# 42  72

!F8
assign (resid 8 and name HN) (resid 7 and name HD#) 4.0 2.2 1.5     !# 41  30
assign (resid 8 and name HN) (resid 7 and name HB#) 4.0 2.2 1.5     !# 42  43
assign (resid 8 and name HN) (resid 7 and name HG) 3.0 1.2 1.5     !# 43  98
assign (resid 8 and name HN) (resid 8 and name HB1) 3.0 1.2 1.5     !# 44  168
assign (resid 8 and name HN) (resid 8 and name HB2) 3.0 1.2 1.5     !# 45  120
assign (resid 8 and name HN) (resid 7 and name HA) 4.0 2.2 1.5     !# 46  48
assign (resid 8 and name HN) (resid 8 and name HA) 3.0 1.2 1.5     !# 49  159

!D9
assign (resid 9 and name HN) (resid 12 and name HG#) 4.0 2.2 2.5    !# 48  
assign (resid 9 and name HN) (resid 9 and name HB1) 3.0 1.2 1.5     !# 49  108
assign (resid 9 and name HN) (resid 9 and name HB2) 3.0 1.2 1.5     !# 50  114
assign (resid 9 and name HN) (resid 6 and name HA) 3.0 1.2 1.5     !# 51  89
assign (resid 9 and name HN) (resid 8 and name HA) 3.0 1.2 1.5     !# 52  83
assign (resid 9 and name HN) (resid 9 and name HA) 3.0 1.2 1.5     !# 55  103

!P10

!R11

!Q12
assign (resid 12 and name HN) (resid 13 and name HB#) 4.0 2.2 1.5   !# 54  47
assign (resid 12 and name HN) (resid 12 and name HB#) 2.0 0.2 1.5   !# 55  416
assign (resid 12 and name HN) (resid 12 and name HG#) 3.0 1.2 1.5   !# 56  103
assign (resid 12 and name HN) (resid 9 and name HB1)  4.0 2.2 2.5   !# 57  
assign (resid 12 and name HN) (resid 9 and name HB2)  4.0 2.2 2.5   !# 58  
assign (resid 12 and name HN) (resid 12 and name HA) 3.0 1.2 1.5    !# 59  174
assign (resid 12 and name HN) (resid 13 and name HA) 4.0 2.2 2.5    !# 60
assign (resid 12 and name HN) (resid 10 and name HA) 4.0 2.2 1.5    !# 60
assign (resid 12 and name HN) (resid 13 and name HN) 3.0 1.2 1.5    !# 64  

!A13
assign (resid 13 and name HN) (resid 13 and name HB#) 2.0 0.2 1.5   !# 61  569
assign (resid 13 and name HN) (resid 14 and name HG#) 4.0 2.2 2.5   !# 62  50
assign (resid 13 and name HN) (resid 12 and name HB#) 2.0 0.2 1.5   !# 63  227
assign (resid 13 and name HN) (resid 12 and name HG#) 4.0 2.2 1.5   !# 64  35 
assign (resid 13 and name HN) (resid 12 and name HA) 4.0 2.2 1.5    !# 65   
assign (resid 13 and name HN) (resid 13 and name HA) 3.0 1.2 1.5    !# 66  63
assign (resid 13 and name HN) (resid 10 and name HA) 4.0 2.2 1.5    !# 67 
assign (resid 13 and name HN) (resid 16 and name HN) 4.0 2.2 1.5    !# 72  46
  
!L14 
assign (resid 14 and name HN) (resid 14 and name HD#) 3.0 1.2 1.5   !# 68  108
assign (resid 14 and name HN) (resid 13 and name HB#) 2.0 0.2 1.5   !# 69  274
assign (resid 14 and name HN) (resid 14 and name HB#) 3.0 1.2 1.5   !# 70  
assign (resid 14 and name HN) (resid 14 and name HG#) 2.0 0.2 1.5   !# 71  207
assign (resid 14 and name HN) (resid 12 and name HB#) 4.0 2.2 1.5   !# 72   
assign (resid 14 and name HN) (resid 14 and name HA) 3.0 1.2 1.5    !# 73  105
assign (resid 14 and name HN) (resid 17 and name HN) 4.0 2.2 1.5    !# 74  50
assign (resid 14 and name HN) (resid 18 and name HN) 4.0 2.2 2.5    !# 80  77
 
!V15
assign (resid 15 and name HN) (resid 15 and name HG1#) 4.0 2.2 1.5  !# 76  
assign (resid 15 and name HN) (resid 15 and name HG2#) 4.0 2.2 1.5  !# 77
assign (resid 15 and name HN) (resid 13 and name HB#) 4.0 2.2 2.5   !# 77
assign (resid 15 and name HN) (resid 18 and name HB#) 4.0 2.2 2.5   !# 77
assign (resid 15 and name HN) (resid 14 and name HB#) 4.0 2.2 1.5   !# 77
assign (resid 15 and name HN) (resid 14 and name HG) 4.0 2.2 1.5    !# 77  
assign (resid 15 and name HN) (resid 15 and name HB) 3.0 1.2 1.5    !# 78  
assign (resid 15 and name HN) (resid 15 and name HA) 3.0 1.2 1.5    !# 79
assign (resid 15 and name HN) (resid 12 and name HA) 3.0 1.2 1.5    !# 80
assign (resid 15 and name HN) (resid 17 and name HN) 4.0 2.2 1.5    !# 77
assign (resid 15 and name HN) (resid 16 and name HN) 2.0 0.2 1.5    !# 91 

!G16
assign (resid 16 and name HN) (resid 15 and name HG1#) 4.0 2.2 1.5  !# 81  110
assign (resid 16 and name HN) (resid 15 and name HG2#) 4.0 2.2 1.5  !# 82  
!assign (resid 16 and name HN) (resid 18 and name HB#) 4.0 2.2 2.5   !# 82
assign (resid 16 and name HN) (resid 17 and name HB#) 4.0 2.2 1.5   !# 82 
assign (resid 16 and name HN) (resid 15 and name HB#) 3.0 1.2 1.5   !# 83  97
assign (resid 16 and name HN) (resid 15 and name HA) 3.0 1.2 1.5    !# 84  78
assign (resid 16 and name HN) (resid 16 and name HA#) 2.0 0.2 1.5   !# 85  541
assign (resid 16 and name HN) (resid 12 and name HA)  4.0 2.2 1.5   !# 82
assign (resid 16 and name HN) (resid 13 and name HA) 3.0 1.2 1.5    !# 86  132
assign (resid 16 and name HN) (resid 17 and name HA) 4.0 2.2 2.5    !# 82
assign (resid 16 and name HN) (resid 19 and name HB) 4.0 2.2 1.5    !# 82
assign (resid 16 and name HN) (resid 15 and name HN) 2.0 0.2 1.5    !# 87  200 
assign (resid 16 and name HN) (resid 19 and name HN) 4.0 2.2 1.5    !# 88   
assign (resid 16 and name HN) (resid 17 and name HN) 2.0 0.2 1.5    !# 104  236 

!L17
assign (resid 17 and name HN) (resid 17 and name HD#) 2.0 0.2 1.5   !# 90  202
assign (resid 17 and name HN) (resid 18 and name HB#) 4.0 2.2 1.5   !# 91  90 
assign (resid 17 and name HN) (resid 17 and name HB#) 2.0 0.2 1.5   !# 92  599
assign (resid 17 and name HN) (resid 17 and name HG)  2.0 0.2 1.5   !# 93  257
assign (resid 17 and name HN) (resid 16 and name HA#) 2.0 0.2 1.5   !# 94  331
assign (resid 17 and name HN) (resid 14 and name HA) 4.0 2.2 1.5    !# 95  
assign (resid 17 and name HN) (resid 17 and name HA) 2.0 0.2 1.5    !# 96  
assign (resid 17 and name HN) (resid 15 and name HN) 4.0 2.2 1.5    !# 97  90 
assign (resid 17 and name HN) (resid 18 and name HN) 4.0 2.2 1.5    !# 113  

!A18
assign (resid 18 and name HN) (resid 17 and name HD#) 3.0 1.2 1.5   !# 99   146
assign (resid 18 and name HN) (resid 18 and name HB#) 2.0 0.2 1.5   !# 100  1020    
assign (resid 18 and name HN) (resid 17 and name HB#) 2.0 0.2 1.5   !# 101  239  
assign (resid 18 and name HN) (resid 17 and name HG)  2.0 0.2 1.5   !# 102  250 
assign (resid 18 and name HN) (resid 15 and name HA)  3.0 1.2 1.5   !# 103  148
assign (resid 18 and name HN) (resid 16 and name HA#) 4.0 2.2 2.5   !# 104  30  
assign (resid 18 and name HN) (resid 18 and name HA) 2.0 0.2 1.5    !# 105  497
assign (resid 18 and name HN) (resid 17 and name HA) 3.0 1.2 1.5    !# 106  107 
assign (resid 18 and name HN) (resid 15 and name HN) 4.0 2.2 1.5    !# 107  71
assign (resid 18 and name HN) (resid 19 and name HN) 2.0 0.2 1.5    !# 108  242
assign (resid 18 and name HN) (resid 17 and name HN) 2.0 0.2 1.5    !# 124  377   

!T19
assign (resid 19 and name HN) (resid 15 and name HG1#) 4.0 2.2 2.5  !# 110
assign (resid 19 and name HN) (resid 19 and name HG2#) 3.0 1.2 1.5  !# 111  174
assign (resid 19 and name HN) (resid 18 and name HB#) 2.0 0.2 1.5   !# 112  209 
assign (resid 19 and name HN) (resid 20 and name HB#)  4.0 2.2 1.5  !# 113  84
assign (resid 19 and name HN) (resid 15 and name HA) 4.0 2.2 1.5    !# 114  49 
assign (resid 19 and name HN) (resid 16 and name HA#) 3.0 1.2 1.5    !# 115  99
assign (resid 19 and name HN) (resid 19 and name HA) 2.0 0.2 1.5    !# 116  369
assign (resid 19 and name HN) (resid 18 and name HA) 3.0 1.2 1.5    !# 117  
assign (resid 19 and name HN) (resid 17 and name HA) 4.0 2.2 1.5    !# 118
assign (resid 19 and name HN) (resid 19 and name HB) 2.0 0.2 1.5    !# 119  313 
assign (resid 19 and name HN) (resid 19 and name HG1) 2.0 0.2 1.5   !# 120  683 
assign (resid 19 and name HN) (resid 18 and name HN) 3.0 1.2 1.5    !# 136  141
 
!F20
assign (resid 20 and name HN) (resid 23 and name HG1#) 4.0 2.2 1.5  !# 123  
assign (resid 20 and name HN) (resid 19 and name HG2#) 3.0 1.2 1.5  !# 122  129
assign (resid 20 and name HN) (resid 18 and name HB#) 4.0 2.2 2.5   !# 123  48
assign (resid 20 and name HN) (resid 21 and name HB#) 4.0 2.2 2.5   !# 124  22 
assign (resid 20 and name HN) (resid 20 and name HB#) 2.0 0.2 1.5   !# 125  233
assign (resid 20 and name HN) (resid 16 and name HA#) 4.0 2.2 1.5   !# 126
assign (resid 20 and name HN) (resid 19 and name HA) 3.0 1.2 1.5    !# 127  
assign (resid 20 and name HN) (resid 20 and name HA) 2.0 0.2 1.5    !# 128  347     
assign (resid 20 and name HN) (resid 19 and name HB) 3.0 1.2 1.5    !# 129  112
assign (resid 20 and name HN) (resid 19 and name HG1) 4.0 2.2 1.5   !# 130  60  
assign (resid 20 and name HN) (resid 20 and name HD#) 4.0 2.2 1.5   !# 131  63
assign (resid 20 and name HN) (resid 21 and name HN) 3.0 1.2 1.5    !# 148   

!L21
assign (resid 21 and name HN) (resid 21 and name HD#) 3.0 1.2 1.5   !# 132  404 
assign (resid 21 and name HN) (resid 21 and name HG) 3.0 1.2 1.5    !# 133  177
assign (resid 21 and name HN) (resid 17 and name HB#) 4.0 2.2 2.5   !# 139 
assign (resid 21 and name HN) (resid 21 and name HB#) 2.0 0.2 1.5   !# 134  305 
assign (resid 21 and name HN) (resid 20 and name HB#) 2.0 0.2 1.5   !# 135  235
assign (resid 21 and name HN) (resid 21 and name HA) 2.0 0.2 1.5    !# 136  208
assign (resid 21 and name HN) (resid 18 and name HA) 3.0 1.2 1.5    !# 137  114  
assign (resid 21 and name HN) (resid 20 and name HA) 3.0 1.2 1.5    !# 138  276   
assign (resid 21 and name HN) (resid 20 and name HD#) 4.0 2.2 1.5   !# 139  
assign (resid 21 and name HN) (resid 22 and name HN) 2.0 0.2 1.5    !# 158  428
 
!F22
assign (resid 22 and name HN) (resid 21 and name HD#) 2.0 0.2 1.5   !# 141  276
assign (resid 22 and name HN) (resid 21 and name HG) 4.0 2.2 1.5    !# 142  
assign (resid 22 and name HN) (resid 21 and name HB#) 4.0 2.2 1.5   !# 143   
assign (resid 22 and name HN) (resid 22 and name HB#) 2.0 0.2 1.5   !# 144  711
assign (resid 22 and name HN) (resid 21 and name HA) 3.0 1.2 1.5    !# 144  
assign (resid 22 and name HN) (resid 18 and name HA) 4.0 2.2 1.5    !# 144
assign (resid 22 and name HN) (resid 22 and name HA) 2.0 0.2 1.5    !# 145  714 
assign (resid 22 and name HN) (resid 22 and name HD#) 4.0 2.2 1.5   !# 146  66
assign (resid 22 and name HN) (resid 21 and name HN) 2.0 0.2 1.5    !# 167  

!V23
assign (resid 23 and name HN) (resid 23 and name HG1#) 3.0 1.2 1.5  !# 147  270
assign (resid 23 and name HN) (resid 23 and name HG2#) 2.0 0.2 1.5  !# 148  576
assign (resid 23 and name HN) (resid 19 and name HG2#) 4.0 2.2 1.5  !# 149  65
assign (resid 23 and name HN) (resid 26 and name HB#) 4.0 2.2 1.5    !# 150  
assign (resid 23 and name HN) (resid 26 and name HG#) 4.0 2.2 1.5   !# 151  
assign (resid 23 and name HN) (resid 23 and name HB) 2.0 0.2 1.5    !# 152  213
assign (resid 23 and name HN) (resid 22 and name HB#) 3.0 1.2 1.5   !# 152  
assign (resid 23 and name HN) (resid 23 and name HA) 2.0 0.2 1.5    !# 153  178
assign (resid 23 and name HN) (resid 21 and name HA) 4.0 2.2 1.5    !# 154  105
assign (resid 23 and name HN) (resid 22 and name HA) 3.0 1.2 1.5    !# 155  285
assign (resid 23 and name HN) (resid 22 and name HD#) 4.0 2.2 1.5   !# 156  51 
assign (resid 23 and name HN) (resid 24 and name HN)  2.0 0.2 1.5   !# 179    

!L24
assign (resid 24 and name HN) (resid 24 and name HD#) 3.0 1.2 1.5   !# 158  236
assign (resid 24 and name HN) (resid 23 and name HG1#) 4.0 2.2 1.5  !# 158  
assign (resid 24 and name HN) (resid 23 and name HG2#) 2.0 0.2 1.5  !# 159  227
assign (resid 24 and name HN) (resid 24 and name HB#) 2.0 0.2 1.5   !# 160  506
assign (resid 24 and name HN) (resid 24 and name HG) 3.0 1.2 1.5    !# 161  153 
assign (resid 24 and name HN) (resid 23 and name HB) 2.0 0.2 1.5    !# 162  293 
assign (resid 24 and name HN) (resid 24 and name HA) 2.0 0.2 1.5    !# 163  890
assign (resid 24 and name HN) (resid 21 and name HN) 4.0 2.2 1.5    !# 187  

!A25
assign (resid 25 and name HN) (resid 24 and name HD#) 3.0 1.2 1.5   !# 165  176
assign (resid 25 and name HN) (resid 25 and name HB#) 2.0 0.2 1.5   !# 166  1022
assign (resid 25 and name HN) (resid 24 and name HB#) 3.0 1.2 1.5   !# 167  140
assign (resid 25 and name HN) (resid 24 and name HG) 3.0 1.2 1.5    !# 167  
assign (resid 25 and name HN) (resid 25 and name HA) 2.0 0.2 1.5    !# 168  871
assign (resid 25 and name HN) (resid 28 and name HN) 4.0 2.2 1.5    !# 193  
     
!L26
assign (resid 26 and name HN) (resid 26 and name HD#) 3.0 1.2 1.5   !# 169  135
assign (resid 26 and name HN) (resid 23 and name HG2#) 4.0 2.2 2.5  !# 169  
assign (resid 26 and name HN) (resid 26 and name HB#) 2.0 0.2 1.5   !# 170  743
assign (resid 26 and name HN) (resid 26 and name HG) 3.0 1.2 1.5    !# 171  487
assign (resid 26 and name HN) (resid 23 and name HA) 3.0 1.2 1.5    !# 172  185
assign (resid 26 and name HN) (resid 26 and name HA) 2.0 0.2 1.5    !# 173  376
assign (resid 26 and name HN) (resid 25 and name HA) 3.0 1.2 1.5    !# 174   
assign (resid 26 and name HN) (resid 27 and name HA) 4.0 2.2 2.5    !# 175  67  
assign (resid 26 and name HN) (resid 22 and name HA) 4.0 2.2 1.5    !# 176  40  
assign (resid 26 and name HN) (resid 27 and name HN) 2.0 0.2 1.5    !# 177  315
assign (resid 26 and name HN) (resid 28 and name HN) 4.0 2.2 1.5    !# 204  76

!L27
assign (resid 27 and name HN) (resid 24 and name HD#) 4.0 2.2 2.5   !# 179  71
assign (resid 27 and name HN) (resid 27 and name HD#) 2.0 0.2 1.5   !# 180  262 
assign (resid 27 and name HN) (resid 23 and name HG2#) 4.0 2.2 2.5  !# 181  52
assign (resid 27 and name HN) (resid 26 and name HB#) 3.0 1.2 1.5   !# 182  
assign (resid 27 and name HN) (resid 27 and name HB#) 2.0 0.2 1.5   !# 182  932 
assign (resid 27 and name HN) (resid 27 and name HG) 4.0 2.2 1.5    !# 183  69
assign (resid 27 and name HN) (resid 23 and name HA) 3.0 1.2 1.5    !# 184  135 
assign (resid 27 and name HN) (resid 28 and name HA)  4.0 2.2 2.5   !# 185  
assign (resid 27 and name HN) (resid 27 and name HA) 2.0 0.2 1.5    !# 186  521
assign (resid 27 and name HN) (resid 26 and name HN) 2.0 0.2 1.5    !# 187  394
assign (resid 27 and name HN) (resid 28 and name HN) 2.0 0.2 1.5    !# 215  380
 
!I28
assign (resid 28 and name HN) (resid 28 and name HD#)  3.0 1.2 1.5  !# 185  193
assign (resid 28 and name HN) (resid 28 and name HG2#) 3.0 1.2 1.5  !# 186  126
assign (resid 28 and name HN) (resid 28 and name HG1#) 3.0 1.2 1.5  !# 186    
assign (resid 28 and name HN) (resid 27 and name HG) 2.0 0.2 1.5    !# 187  665
assign (resid 28 and name HN) (resid 28 and name HB) 2.0 0.2 1.5    !# 188  440
assign (resid 28 and name HN) (resid 29 and name HB#) 4.0 2.2 1.5   !# 189  62
assign (resid 28 and name HN) (resid 28 and name HA) 2.0 0.2 1.5    !# 190  354    
assign (resid 28 and name HN) (resid 25 and name HA) 3.0 1.2 1.5    !# 191  252
assign (resid 28 and name HN) (resid 27 and name HA) 3.0 1.2 1.5    !# 192  127
assign (resid 28 and name HN) (resid 26 and name HN) 4.0 2.2 1.5    !# 193  39
assign (resid 28 and name HN) (resid 29 and name HN) 2.0 0.2 1.5    !# 194  235 
assign (resid 28 and name HN) (resid 27 and name HN) 3.0 1.2 1.5    !# 195   
assign (resid 28 and name HN) (resid 30 and name HN) 4.0 2.2 1.5    !# 196  
assign (resid 28 and name HN) (resid 31 and name HN) 4.0 2.2 1.5    !# 229  

!H29
assign (resid 29 and name HN) (resid 28 and name HD#) 4.0 2.2 1.5   !# 198  
assign (resid 29 and name HN) (resid 28 and name HG2#) 4.0 2.2 1.5  !# 199
assign (resid 29 and name HN) (resid 32 and name HB#) 4.0 2.2 2.5   !# 199  
assign (resid 29 and name HN) (resid 27 and name HG) 4.0 2.2 2.5    !# 200  
assign (resid 29 and name HN) (resid 28 and name HB) 4.0 2.2 1.5    !# 201  
assign (resid 29 and name HN) (resid 29 and name HB#) 3.0 1.2 1.5   !# 202  
assign (resid 29 and name HN) (resid 28 and name HA) 3.0 1.2 1.5    !# 203
assign (resid 29 and name HN) (resid 26 and name HA) 3.0 1.2 1.5    !# 203  
assign (resid 29 and name HN) (resid 25 and name HA) 4.0 2.2 1.5    !# 204  
assign (resid 29 and name HN) (resid 29 and name HA) 3.0 1.2 1.5    !# 205  
assign (resid 29 and name HN) (resid 30 and name HN) 2.0 0.2 1.5    !# 206
assign (resid 29 and name HN) (resid 31 and name HN) 4.0 2.2 1.5    !# 241  

!F30
assign (resid 30 and name HN) (resid 33 and name HD#) 4.0 2.2 1.5   !# 207 
assign (resid 30 and name HN) (resid 33 and name HB#) 4.0 2.2 1.5   !# 207 
assign (resid 30 and name HN) (resid 26 and name HG) 4.0 2.2 2.5    !# 207
assign (resid 30 and name HN) (resid 30 and name HB#) 2.0 0.2 1.5   !# 208  753
assign (resid 30 and name HN) (resid 28 and name HA) 4.0 2.2 1.5    !# 209  61
assign (resid 30 and name HN) (resid 26 and name HA) 4.0 2.2 1.5    !# 210  76
assign (resid 30 and name HN) (resid 29 and name HA) 3.0 1.2 1.5    !# 210  
assign (resid 30 and name HN) (resid 30 and name HA) 2.0 0.2 1.5    !# 211  589
assign (resid 30 and name HN) (resid 30 and name HD#) 4.0 2.2 1.5   !# 212  44
assign (resid 30 and name HN) (resid 29 and name HN) 2.0 0.2 1.5    !# 213  207 
assign (resid 30 and name HN) (resid 31 and name HN) 2.0 0.2 1.5    !# 252  253 

!I31
assign (resid 31 and name HN) (resid 31 and name HG2#) 2.0 0.2 1.5  !# 215  255
assign (resid 31 and name HN) (resid 31 and name HG1#) 3.0 1.2 1.5  !# 216  98
assign (resid 31 and name HN) (resid 32 and name HB#) 4.0 2.2 2.5   !# 217  35
assign (resid 31 and name HN) (resid 32 and name HG) 4.0 2.2 2.5    !# 218  90
assign (resid 31 and name HN) (resid 31 and name HB) 2.0 0.2 1.5    !# 219  448
assign (resid 31 and name HN) (resid 30 and name HB#) 3.0 1.2 1.5   !# 220  138
assign (resid 31 and name HN) (resid 28 and name HA) 4.0 2.2 1.5    !# 220  
assign (resid 31 and name HN) (resid 31 and name HA) 2.0 0.2 1.5    !# 221  247
assign (resid 31 and name HN) (resid 29 and name HA) 4.0 2.2 1.5    !# 222  139
assign (resid 31 and name HN) (resid 30 and name HD#) 4.0 2.2 1.5   !# 223  41
assign (resid 31 and name HN) (resid 33 and name HN) 4.0 2.2 1.5    !# 224  47  
assign (resid 31 and name HN) (resid 32 and name HN) 2.0 0.2 1.5    !# 225  251
assign (resid 31 and name HN) (resid 28 and name HN) 4.0 2.2 1.5    !# 265  71

!L32
assign (resid 32 and name HN) (resid 31 and name HG2#) 3.0 1.2 1.5  !# 233  
assign (resid 32 and name HN) (resid 32 and name HD#)  3.0 1.2 1.5  !# 227  227
assign (resid 32 and name HN) (resid 31 and name HG1#) 4.0 2.2 1.5  !# 228  47
assign (resid 32 and name HN) (resid 32 and name HB#) 2.0 0.2 1.5   !# 229  331
assign (resid 32 and name HN) (resid 32 and name HG) 2.0 0.2 1.5    !# 230  518
assign (resid 32 and name HN) (resid 31 and name HB) 2.0 0.2 1.5    !# 231  207
assign (resid 32 and name HN) (resid 30 and name HB#) 4.0 2.2 2.5   !# 232  38
assign (resid 32 and name HN) (resid 31 and name HA) 3.0 1.2 1.5    !# 233  108
assign (resid 32 and name HN) (resid 32 and name HA) 2.0 0.2 1.5    !# 234  435
assign (resid 32 and name HN) (resid 29 and name HA) 3.0 1.2 1.5    !# 235  117
assign (resid 32 and name HN) (resid 35 and name HB) 4.0 2.2 1.5    !# 232  
assign (resid 32 and name HN) (resid 35 and name HG1) 4.0 2.2 1.5   !# 232
assign (resid 32 and name HN) (resid 34 and name HN) 4.0 2.2 1.5    !# 236  
assign (resid 32 and name HN) (resid 33 and name HN) 3.0 1.2 1.5    !# 237  140
assign (resid 32 and name HN) (resid 31 and name HN) 2.0 0.2 1.5    !# 280  346

!L33
assign (resid 33 and name HN) (resid 33 and name HD#) 3.0 1.2 1.5   !# 239  190
assign (resid 33 and name HN) (resid 33 and name HB#) 3.0 1.2 1.5   !# 240    
assign (resid 33 and name HN) (resid 33 and name HG) 3.0 1.2 1.5    !# 241 
assign (resid 33 and name HN) (resid 32 and name HG) 2.0 0.2 1.5    !# 242  256
assign (resid 33 and name HN) (resid 36 and name HB1) 4.0 2.2 2.5   !# 243 
assign (resid 33 and name HN) (resid 36 and name HB2) 4.0 2.2 2.5   !# 244  
assign (resid 33 and name HN) (resid 32 and name HA)  3.0 1.2 1.5   !# 245
assign (resid 33 and name HN) (resid 33 and name HA) 2.0 0.2 1.5    !# 245  584 
assign (resid 33 and name HN) (resid 32 and name HN) 2.0 0.2 1.5    !# 246  295
assign (resid 33 and name HN) (resid 31 and name HN) 4.0 2.2 1.5    !# 290  95 

!S34
assign (resid 34 and name HN) (resid 33 and name HD#) 4.0 2.2 1.5   !# 248  61
assign (resid 34 and name HN) (resid 33 and name HB#) 3.0 1.2 1.5   !# 249  
assign (resid 34 and name HN) (resid 33 and name HG) 3.0 1.2 1.5    !# 250
assign (resid 34 and name HN) (resid 32 and name HG) 4.0 2.2 1.5    !# 248  61
assign (resid 34 and name HN) (resid 37 and name HB#) 4.0 2.2 1.5   !# 248
assign (resid 34 and name HN) (resid 36 and name HB1) 4.0 2.2 2.5   !# 248 
assign (resid 34 and name HN) (resid 30 and name HB1) 4.0 2.2 2.5   !# 248  
assign (resid 34 and name HN) (resid 31 and name HA) 4.0 2.2 1.5    !# 251  86
assign (resid 34 and name HN) (resid 34 and name HB#) 2.0 0.2 1.5   !# 252  203
assign (resid 34 and name HN) (resid 34 and name HA) 2.0 0.2 1.5    !# 253  517
assign (resid 34 and name HN) (resid 33 and name HA) 3.0 1.2 1.5    !# 254  
assign (resid 34 and name HN) (resid 30 and name HA) 3.0 1.2 1.5    !# 254  142
assign (resid 34 and name HN) (resid 34 and name HG) 3.0 1.2 1.5    !# 255  89  
assign (resid 34 and name HN) (resid 32 and name HN) 4.0 2.2 1.5    !# 256  82
assign (resid 34 and name HN) (resid 31 and name HN) 4.0 2.2 1.5    !# 305  71

!T35
assign (resid 35 and name HN) (resid 31 and name HG2#) 4.0 2.2 1.5  !# 215  
assign (resid 35 and name HN) (resid 35 and name HG2#) 3.0 1.2 1.5  !# 258  73
assign (resid 35 and name HN) (resid 33 and name HG) 4.0 2.2 1.5   !# 271
assign (resid 35 and name HN) (resid 36 and name HB1) 4.0 2.2 1.5   !# 259  
assign (resid 35 and name HN) (resid 31 and name HA) 4.0 2.2 1.5    !# 259  
assign (resid 35 and name HN) (resid 34 and name HB#) 4.0 2.2 1.5   !# 273
assign (resid 35 and name HN) (resid 35 and name HA) 2.0 0.2 1.5    !# 260  258
assign (resid 35 and name HN) (resid 36 and name HA) 4.0 2.2 1.5    !# 260  
assign (resid 35 and name HN) (resid 35 and name HB) 3.0 1.2 1.5    !# 261  
assign (resid 35 and name HN) (resid 35 and name HG1) 3.0 1.2 1.5   !# 315  

!E36
assign (resid 36 and name HN) (resid 37 and name HB#) 4.0 2.2 2.5   !# 297  
assign (resid 36 and name HN) (resid 36 and name HB1) 3.0 1.2 1.5   !# 263  
assign (resid 36 and name HN) (resid 36 and name HB2) 3.0 1.2 1.5   !# 264  
assign (resid 36 and name HN) (resid 36 and name HG1) 4.0 2.2 1.5   !# 265   
assign (resid 36 and name HN) (resid 36 and name HG2) 4.0 2.2 1.5   !# 266  
assign (resid 36 and name HN) (resid 33 and name HA)  4.0 2.2 1.5   !# 267
assign (resid 36 and name HN) (resid 36 and name HA) 2.0 0.2 1.5    !# 268
assign (resid 36 and name HN) (resid 35 and name HB) 3.0 1.2 1.5    !# 269
assign (resid 36 and name HN) (resid 35 and name HG1) 3.0 1.2 1.5   !# 324

!R37
assign (resid 37 and name HN) (resid 37 and name HG#) 4.0 2.2 1.5   !# 271
assign (resid 37 and name HN) (resid 37 and name HB#) 2.0 0.2 1.5   !# 272
assign (resid 37 and name HN) (resid 36 and name HB1) 3.0 1.2 1.5   !# 271
assign (resid 37 and name HN) (resid 36 and name HB2) 4.0 2.2 1.5   !# 273
assign (resid 37 and name HN) (resid 40 and name HB1) 4.0 2.2 2.5   !# 271
assign (resid 37 and name HN) (resid 37 and name HA)  2.0 0.2 1.5   !# 273
assign (resid 37 and name HN) (resid 36 and name HA) 3.0 1.2 1.5    !# 331

!F38
assign (resid 38 and name HN) (resid 37 and name HB#) 2.0 0.2 1.5   !# 274
assign (resid 38 and name HN) (resid 38 and name HB#) 2.0 0.2 1.5   !# 275  456
assign (resid 38 and name HN) (resid 38 and name HA) 2.0 0.2 1.5    !# 276  495
assign (resid 38 and name HN) (resid 35 and name HB) 4.0 2.2 2.5    !# 335

!N39
assign (resid 39 and name HN) (resid 35 and name HG2#) 4.0 2.2 1.5   !# 275  50
assign (resid 39 and name HN) (resid 42 and name HB#) 4.0 2.2 1.5   !# 276  64  
assign (resid 39 and name HN) (resid 39 and name HB#) 3.0 1.2 1.5   !# 277  176
assign (resid 39 and name HN) (resid 39 and name HG#) 2.0 0.2 1.5   !# 278  226
assign (resid 39 and name HN) (resid 38 and name HB#) 2.0 0.2 1.5   !# 279  198
assign (resid 39 and name HN) (resid 35 and name HA)  4.0 2.2 1.5   !# 280  91
assign (resid 39 and name HN) (resid 38 and name HA) 3.0 1.2 1.5    !# 281  120
assign (resid 39 and name HN) (resid 39 and name HA) 4.0 2.2 1.5    !# 282  74
assign (resid 39 and name HN) (resid 38 and name HD#) 4.0 2.2 1.5   !# 283  77
assign (resid 39 and name HN) (resid 38 and name HN)  4.0 2.2 1.5   !# 345  308

!W40
assign (resid 40 and name HN) (resid 42 and name HB#) 4.0 2.2 1.5   !# 285  62
assign (resid 40 and name HN) (resid 39 and name HB#) 3.0 1.2 1.5   !# 286  99
assign (resid 40 and name HN) (resid 39 and name HG#) 3.0 1.2 1.5   !# 287  120
assign (resid 40 and name HN) (resid 40 and name HB1) 2.0 0.2 1.5   !# 288  340
assign (resid 40 and name HN) (resid 40 and name HB2) 4.0 2.2 1.5   !# 289  71 
assign (resid 40 and name HN) (resid 42 and name HA)  4.0 2.2 1.5   !# 290  86 
assign (resid 40 and name HN) (resid 37 and name HA) 4.0 2.2 1.5    !# 291  104 
assign (resid 40 and name HN) (resid 40 and name HA) 2.0 0.2 1.5    !# 292  352 
assign (resid 40 and name HN) (resid 39 and name HA) 3.0 1.2 1.5    !# 293  89
assign (resid 40 and name HN) (resid 38 and name HN) 4.0 2.2 1.5    !# 294 
assign (resid 40 and name HN) (resid 40 and name HD#) 4.0 2.2 1.5   !# 356 

!L41
assign (resid 41 and name HN) (resid 41 and name HD#) 4.0 2.2 1.5   !# 295 
assign (resid 41 and name HN) (resid 41 and name HG) 3.0 1.2 1.5    !# 296  72
assign (resid 41 and name HN) (resid 41 and name HB#) 3.0 1.2 1.5   !# 297  
assign (resid 41 and name HN) (resid 41 and name HA) 2.0 0.2 1.5    !# 360  423  
 
!E42
assign (resid 42 and name HN) (resid 41 and name HD#) 4.0 2.2 1.5   !# 302  59 
assign (resid 42 and name HN) (resid 41 and name HG) 3.0 1.2 1.5    !# 303  97
assign (resid 42 and name HN) (resid 41 and name HB#) 3.0 1.2 1.5   !# 304  179
assign (resid 42 and name HN) (resid 42 and name HB#) 2.0 0.2 1.5   !# 305  395 
assign (resid 42 and name HN) (resid 42 and name HG#) 3.0 1.2 1.5   !# 306  158
assign (resid 42 and name HN) (resid 43 and name HA#) 4.0 2.2 2.5   !# 307  44 
assign (resid 42 and name HN) (resid 42 and name HA) 2.0 0.2 1.5    !# 308  200
assign (resid 42 and name HN) (resid 40 and name HA) 4.0 2.2 1.5    !# 309  71 
assign (resid 42 and name HN) (resid 38 and name HA) 4.0 2.2 1.5    !# 309  
assign (resid 42 and name HN) (resid 39 and name HA) 4.0 2.2 1.5    !# 310  77 
assign (resid 42 and name HN) (resid 43 and name HN) 2.0 0.2 1.5    !# 371  249

!G43
assign (resid 43 and name HN) (resid 44 and name HB#) 4.0 2.2 2.5   !# 312  44 
assign (resid 43 and name HN) (resid 42 and name HB#) 3.0 1.2 1.5   !# 313  129
assign (resid 43 and name HN) (resid 42 and name HG#) 4.0 2.2 1.5   !# 314  32 
assign (resid 43 and name HN) (resid 43 and name HA#) 2.0 0.2 1.5   !# 315  733
assign (resid 43 and name HN) (resid 42 and name HA)  3.0 1.2 1.5   !# 316   
assign (resid 43 and name HN) (resid 40 and name HA) 4.0 2.2 1.5    !# 317   
assign (resid 43 and name HN) (resid 39 and name HA) 4.0 2.2 1.5    !# 318     
assign (resid 43 and name HN) (resid 40 and name HN) 4.0 2.2 1.5    !# 378     

!A44
assign (resid 44 and name HN) (resid 44 and name HB#) 2.0 0.2 1.5   !# 320  240 
assign (resid 44 and name HN) (resid 46 and name HG2#) 4.0 2.2 2.5  !# 320  
assign (resid 44 and name HN) (resid 43 and name HA#) 3.0 1.2 1.5   !# 321  158
assign (resid 44 and name HN) (resid 44 and name HA) 3.0 1.2 1.5    !# 322  440
assign (resid 44 and name HN) (resid 40 and name HA) 4.0 2.2 1.5    !# 323   
assign (resid 44 and name HN) (resid 45 and name HN) 3.0 1.2 1.5    !# 384  115

!S45
assign (resid 45 and name HN) (resid 44 and name HB#) 3.0 1.2 1.5   !# 325  161
assign (resid 45 and name HN) (resid 46 and name HG2#) 4.0 2.2 2.5  !# 320
assign (resid 45 and name HN) (resid 43 and name HA#) 4.0 2.2 2.5   !# 320
assign (resid 45 and name HN) (resid 44 and name HA) 3.0 1.2 1.5    !# 325   
assign (resid 45 and name HN) (resid 45 and name HA) 3.0 1.2 1.5    !# 325  121
assign (resid 45 and name HN) (resid 45 and name HB#) 2.0 0.2 1.5   !# 326  363 
assign (resid 45 and name HN) (resid 45 and name HG) 4.0 2.2 1.5    !# 327  35
assign (resid 45 and name HN) (resid 46 and name HN) 2.0 0.2 1.5    !# 328  203
assign (resid 45 and name HN) (resid 44 and name HN) 3.0 1.2 1.5    !# 393  141

!T46
assign (resid 46 and name HN) (resid 44 and name HB#) 4.0 2.2 2.5   !# 320
assign (resid 46 and name HN) (resid 46 and name HG2#) 2.0 0.2 1.5  !# 330  223
assign (resid 46 and name HN) (resid 46 and name HB) 3.0 1.2 1.5    !# 331  122
assign (resid 46 and name HN) (resid 43 and name HA#) 3.0 1.2 1.5   !# 332  
assign (resid 46 and name HN) (resid 46 and name HA) 2.0 0.2 1.5    !# 333  333
assign (resid 46 and name HN) (resid 46 and name HG1) 2.0 0.2 1.5   !# 330  223 
assign (resid 46 and name HN) (resid 47 and name HN) 2.0 0.2 1.5    !# 335  312
assign (resid 46 and name HN) (resid 44 and name HN) 4.0 2.2 1.5    !# 401 

!K47
assign (resid 47 and name HN) (resid 46 and name HG2#) 4.0 2.2 1.5  !# 336  63 
assign (resid 47 and name HN) (resid 47 and name HG#) 3.0 1.2 1.5   !# 337  179
assign (resid 47 and name HN) (resid 47 and name HB#) 2.0 0.2 1.5   !# 338  397
assign (resid 47 and name HN) (resid 48 and name HD#) 4.0 2.2 1.5   !# 338  
assign (resid 47 and name HN) (resid 44 and name HA) 4.0 2.2 1.5    !# 339  61 
assign (resid 47 and name HN) (resid 46 and name HA) 3.0 1.2 1.5    !# 340  60 
assign (resid 47 and name HN) (resid 47 and name HA) 2.0 0.2 1.5    !# 341  233
assign (resid 47 and name HN) (resid 46 and name HG1) 3.0 1.2 1.5   !# 342  88  
assign (resid 47 and name HN) (resid 46 and name HN) 2.0 0.2 1.5    !# 343  176 
assign (resid 47 and name HN) (resid 43 and name HN) 4.0 2.2 1.5    !# 411     

!P48  

!V49
assign (resid 49 and name HN) (resid 49 and name HG#) 4.0 2.2 1.5   !# 344  56
assign (resid 49 and name HN) (resid 48 and name HG#) 4.0 2.2 1.5   !# 344  
assign (resid 49 and name HN) (resid 49 and name HB) 2.0 0.2 1.5    !# 345  253
assign (resid 49 and name HN) (resid 48 and name HB#) 4.0 2.2 1.5   !# 344
assign (resid 49 and name HN) (resid 48 and name HD#) 4.0 2.2 1.5   !# 344  
assign (resid 49 and name HN) (resid 49 and name HA) 3.0 1.2 1.5    !# 346  153
assign (resid 49 and name HN) (resid 48 and name HA) 3.0 1.2 1.5    !# 418

!Q50

!T51
assign (resid 51 and name HN) (resid 51 and name HG2#) 3.0 1.2 1.5  !# 347  155  
assign (resid 51 and name HN) (resid 49 and name HB) 4.0 2.2 2.5    !# 348  39 
assign (resid 51 and name HN) (resid 51 and name HA) 2.0 0.2 1.5    !# 349  219
assign (resid 51 and name HN) (resid 51 and name HB) 3.0 1.2 1.5    !# 349   
assign (resid 51 and name HN) (resid 51 and name HG1) 3.0 1.2 1.5   !# 423  91     

!S52
assign (resid 52 and name HN) (resid 52 and name HA) 4.0 2.2 1.5    !# 351
assign (resid 52 and name HN) (resid 51 and name HB) 4.0 2.2 1.5    !# 351  
assign (resid 52 and name HN) (resid 52 and name HB#) 4.0 2.2 1.5   !# 352  
assign (resid 52 and name HN) (resid 52 and name HG) 4.0 2.2 1.5    !# 427  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1   6.094 -29.476  -5.162
    2    HA   MET   1           HA       MET   1   6.262 -32.012  -3.898
    3   1HB   MET   1          2HB       MET   1   5.030 -29.928  -2.094
    4   2HB   MET   1          1HB       MET   1   5.325 -31.622  -1.730
    5   1HG   MET   1          2HG       MET   1   7.662 -31.284  -1.608
    6   2HG   MET   1          1HG       MET   1   7.532 -29.667  -2.296
    7   1HE   MET   1          1HE       MET   1   9.211 -29.416  -0.561
    8   2HE   MET   1          2HE       MET   1   9.006 -29.910   1.120
    9   3HE   MET   1          3HE       MET   1   8.683 -28.242   0.646
   10    H    TRP   2           H        TRP   2   5.033 -32.142  -5.922
   11    HA   TRP   2           HA       TRP   2   3.129 -32.210  -7.188
   12   1HB   TRP   2          2HB       TRP   2   1.766 -32.724  -4.545
   13   2HB   TRP   2          1HB       TRP   2   1.304 -33.328  -6.134
   14    HD1  TRP   2           HD       TRP   2   2.713 -35.386  -7.125
   15    HE1  TRP   2           1HE      TRP   2   4.212 -37.140  -5.983
   16    HE3  TRP   2           3HE      TRP   2   3.416 -33.051  -2.631
   17    HZ2  TRP   2           2HZ      TRP   2   5.520 -37.487  -3.506
   18    HZ3  TRP   2           3HZ      TRP   2   4.804 -34.162  -0.929
   19    HH2  TRP   2           HH       TRP   2   5.833 -36.334  -1.360
   20    H    ARG   3           H        ARG   3   3.801 -29.559  -6.121
   21    HA   ARG   3           HA       ARG   3   2.913 -27.474  -5.810
   22   1HB   ARG   3          2HB       ARG   3   1.317 -28.763  -7.976
   23   2HB   ARG   3          1HB       ARG   3   0.809 -27.185  -7.390
   24   1HG   ARG   3          2HG       ARG   3   3.159 -26.392  -7.832
   25   2HG   ARG   3          1HG       ARG   3   3.428 -27.925  -8.663
   26   1HD   ARG   3          2HD       ARG   3   1.106 -27.106  -9.807
   27   2HD   ARG   3          1HD       ARG   3   1.896 -25.560  -9.498
   28    HE   ARG   3           HE       ARG   3   3.848 -27.018 -10.663
   29   1HH1  ARG   3          1HH1      ARG   3   0.547 -26.324 -11.557
   30   2HH1  ARG   3          2HH1      ARG   3   0.858 -26.415 -13.258
   31   1HH2  ARG   3          1HH2      ARG   3   4.258 -27.138 -12.900
   32   2HH2  ARG   3          2HH2      ARG   3   2.964 -26.878 -14.021
   33    H    ILE   4           H        ILE   4   1.945 -29.509  -3.932
   34    HA   ILE   4           HA       ILE   4   0.356 -29.826  -2.327
   35    HB   ILE   4           HB       ILE   4  -0.277 -26.908  -2.766
   36   1HG1  ILE   4          2HG1      ILE   4   2.163 -27.266  -2.563
   37   2HG1  ILE   4          1HG1      ILE   4   1.502 -26.399  -1.180
   38   1HG2  ILE   4          1HG2      ILE   4  -0.412 -27.308  -0.112
   39   2HG2  ILE   4          2HG2      ILE   4  -0.894 -28.905  -0.687
   40   3HG2  ILE   4          3HG2      ILE   4  -1.794 -27.476  -1.195
   41   1HD1  ILE   4          1HD1      ILE   4   2.868 -27.888  -0.131
   42   2HD1  ILE   4          2HD1      ILE   4   2.620 -29.143  -1.344
   43   3HD1  ILE   4          3HD1      ILE   4   1.365 -28.809  -0.150
   44    H    TRP   5           H        TRP   5  -0.552 -30.715  -4.715
   45    HA   TRP   5           HA       TRP   5  -2.372 -30.971  -6.119
   46   1HB   TRP   5          2HB       TRP   5  -3.745 -31.099  -3.430
   47   2HB   TRP   5          1HB       TRP   5  -4.244 -31.907  -4.913
   48    HD1  TRP   5           HD       TRP   5  -0.922 -31.882  -2.877
   49    HE1  TRP   5           1HE      TRP   5  -0.139 -34.322  -2.631
   50    HE3  TRP   5           3HE      TRP   5  -4.720 -34.212  -5.386
   51    HZ2  TRP   5           2HZ      TRP   5  -1.015 -36.893  -3.399
   52    HZ3  TRP   5           3HZ      TRP   5  -4.672 -36.664  -5.585
   53    HH2  TRP   5           HH       TRP   5  -2.856 -37.975  -4.612
   54    H    GLN   6           H        GLN   6  -1.850 -28.214  -5.797
   55    HA   GLN   6           HA       GLN   6  -2.817 -26.115  -5.752
   56   1HB   GLN   6          2HB       GLN   6  -3.034 -26.995  -8.060
   57   2HB   GLN   6          1HB       GLN   6  -4.649 -27.570  -7.664
   58   1HG   GLN   6          2HG       GLN   6  -5.550 -25.567  -7.987
   59   2HG   GLN   6          1HG       GLN   6  -4.304 -24.762  -7.034
   60   1HE2  GLN   6          1HE2      GLN   6  -4.852 -26.251 -10.198
   61   2HE2  GLN   6          2HE2      GLN   6  -3.845 -25.159 -11.082
   62    H    LEU   7           H        LEU   7  -3.818 -27.632  -3.567
   63    HA   LEU   7           HA       LEU   7  -6.681 -27.196  -3.472
   64   1HB   LEU   7          2HB       LEU   7  -4.666 -28.312  -1.540
   65   2HB   LEU   7          1HB       LEU   7  -6.310 -27.959  -1.041
   66    HG   LEU   7           HG       LEU   7  -5.560 -29.864  -3.259
   67   1HD1  LEU   7          1HD1      LEU   7  -6.654 -30.587  -0.559
   68   2HD1  LEU   7          2HD1      LEU   7  -4.922 -30.522  -0.887
   69   3HD1  LEU   7          3HD1      LEU   7  -5.948 -31.644  -1.781
   70   1HD2  LEU   7          1HD2      LEU   7  -8.146 -28.916  -2.113
   71   2HD2  LEU   7          2HD2      LEU   7  -8.019 -30.564  -2.730
   72   3HD2  LEU   7          3HD2      LEU   7  -7.696 -29.195  -3.795
   73    H    PHE   8           H        PHE   8  -4.067 -26.251  -1.241
   74    HA   PHE   8           HA       PHE   8  -5.151 -23.534  -1.168
   75   1HB   PHE   8          2HB       PHE   8  -4.936 -25.421   1.148
   76   2HB   PHE   8          1HB       PHE   8  -4.709 -23.696   1.415
   77    HD1  PHE   8           1HD      PHE   8  -6.543 -22.169   1.298
   78    HD2  PHE   8           2HD      PHE   8  -7.095 -26.291   0.396
   79    HE1  PHE   8           1HE      PHE   8  -8.982 -21.864   1.408
   80    HE2  PHE   8           2HE      PHE   8  -9.534 -25.993   0.503
   81    HZ   PHE   8           HZ       PHE   8 -10.481 -23.777   1.010
   82    H    ASP   9           H        ASP   9  -3.227 -23.095  -2.409
   83    HA   ASP   9           HA       ASP   9  -1.054 -22.263  -0.776
   84   1HB   ASP   9          2HB       ASP   9  -0.873 -24.874  -2.058
   85   2HB   ASP   9          1HB       ASP   9   0.437 -23.801  -2.542
   86    HA   PRO  10           HA       PRO  10  -0.103 -21.280  -5.498
   87   1HB   PRO  10          2HB       PRO  10  -2.771 -21.989  -6.610
   88   2HB   PRO  10          1HB       PRO  10  -1.166 -22.179  -7.324
   89   1HG   PRO  10          2HG       PRO  10  -2.485 -24.286  -6.373
   90   2HG   PRO  10          1HG       PRO  10  -0.731 -24.135  -6.155
   91   1HD   PRO  10          2HD       PRO  10  -2.935 -23.676  -4.190
   92   2HD   PRO  10          1HD       PRO  10  -1.332 -24.399  -3.941
   93    H    ARG  11           H        ARG  11  -3.629 -21.052  -4.957
   94    HA   ARG  11           HA       ARG  11  -3.913 -18.421  -5.828
   95   1HB   ARG  11          2HB       ARG  11  -6.038 -18.424  -4.533
   96   2HB   ARG  11          1HB       ARG  11  -5.842 -19.836  -5.561
   97   1HG   ARG  11          2HG       ARG  11  -5.045 -21.088  -3.551
   98   2HG   ARG  11          1HG       ARG  11  -5.488 -19.683  -2.579
   99   1HD   ARG  11          2HD       ARG  11  -7.424 -21.089  -4.404
  100   2HD   ARG  11          1HD       ARG  11  -7.202 -21.541  -2.714
  101    HE   ARG  11           HE       ARG  11  -8.657 -19.302  -3.711
  102   1HH1  ARG  11          1HH1      ARG  11  -6.712 -20.399  -1.029
  103   2HH1  ARG  11          2HH1      ARG  11  -7.440 -19.312   0.105
  104   1HH2  ARG  11          1HH2      ARG  11  -9.616 -17.872  -2.221
  105   2HH2  ARG  11          2HH2      ARG  11  -9.089 -17.878  -0.570
  106    H    GLN  12           H        GLN  12  -3.499 -19.642  -2.508
  107    HA   GLN  12           HA       GLN  12  -3.564 -17.166  -1.211
  108   1HB   GLN  12          2HB       GLN  12  -3.622 -19.517  -0.196
  109   2HB   GLN  12          1HB       GLN  12  -1.867 -19.484  -0.308
  110   1HG   GLN  12          2HG       GLN  12  -2.716 -18.863   1.919
  111   2HG   GLN  12          1HG       GLN  12  -1.750 -17.595   1.164
  112   1HE2  GLN  12          1HE2      GLN  12  -4.740 -18.421   2.539
  113   2HE2  GLN  12          2HE2      GLN  12  -5.558 -16.927   2.251
  114    H    ALA  13           H        ALA  13  -0.941 -18.881  -2.794
  115    HA   ALA  13           HA       ALA  13   1.186 -17.284  -1.864
  116   1HB   ALA  13          1HB       ALA  13   2.483 -18.250  -3.659
  117   2HB   ALA  13          2HB       ALA  13   1.014 -18.781  -4.478
  118   3HB   ALA  13          3HB       ALA  13   1.469 -19.495  -2.930
  119    H    LEU  14           H        LEU  14  -0.794 -17.094  -4.811
  120    HA   LEU  14           HA       LEU  14   0.536 -14.834  -5.884
  121   1HB   LEU  14          2HB       LEU  14  -2.314 -15.693  -6.378
  122   2HB   LEU  14          1HB       LEU  14  -1.335 -14.668  -7.410
  123    HG   LEU  14           HG       LEU  14  -0.422 -17.456  -6.825
  124   1HD1  LEU  14          1HD1      LEU  14  -2.903 -17.304  -7.613
  125   2HD1  LEU  14          2HD1      LEU  14  -1.798 -18.445  -8.380
  126   3HD1  LEU  14          3HD1      LEU  14  -2.180 -16.917  -9.174
  127   1HD2  LEU  14          1HD2      LEU  14   1.209 -16.495  -8.065
  128   2HD2  LEU  14          2HD2      LEU  14   0.116 -15.318  -8.793
  129   3HD2  LEU  14          3HD2      LEU  14   0.152 -16.976  -9.392
  130    H    VAL  15           H        VAL  15  -2.182 -15.248  -3.708
  131    HA   VAL  15           HA       VAL  15  -2.994 -12.519  -3.704
  132    HB   VAL  15           HB       VAL  15  -3.450 -14.563  -1.527
  133   1HG1  VAL  15          1HG1      VAL  15  -4.246 -12.692  -0.546
  134   2HG1  VAL  15          2HG1      VAL  15  -5.652 -13.024  -1.558
  135   3HG1  VAL  15          3HG1      VAL  15  -4.449 -11.843  -2.079
  136   1HG2  VAL  15          1HG2      VAL  15  -4.219 -14.852  -4.141
  137   2HG2  VAL  15          2HG2      VAL  15  -5.628 -14.081  -3.413
  138   3HG2  VAL  15          3HG2      VAL  15  -5.013 -15.596  -2.753
  139    H    GLY  16           H        GLY  16  -0.558 -14.354  -2.033
  140   1HA   GLY  16          2HA       GLY  16  -0.146 -12.477   0.093
  141   2HA   GLY  16          1HA       GLY  16   0.920 -13.803  -0.349
  142    H    LEU  17           H        LEU  17   1.604 -13.230  -2.898
  143    HA   LEU  17           HA       LEU  17   3.596 -11.248  -2.596
  144   1HB   LEU  17          2HB       LEU  17   2.621 -12.047  -5.305
  145   2HB   LEU  17          1HB       LEU  17   4.258 -11.737  -4.766
  146    HG   LEU  17           HG       LEU  17   2.965 -14.077  -3.553
  147   1HD1  LEU  17          1HD1      LEU  17   3.967 -14.468  -6.318
  148   2HD1  LEU  17          2HD1      LEU  17   2.313 -13.897  -6.089
  149   3HD1  LEU  17          3HD1      LEU  17   2.822 -15.431  -5.384
  150   1HD2  LEU  17          1HD2      LEU  17   5.596 -13.976  -4.960
  151   2HD2  LEU  17          2HD2      LEU  17   5.108 -14.952  -3.575
  152   3HD2  LEU  17          3HD2      LEU  17   5.397 -13.224  -3.378
  153    H    ALA  18           H        ALA  18   0.751 -11.353  -4.668
  154    HA   ALA  18           HA       ALA  18   0.824  -8.769  -5.659
  155   1HB   ALA  18          1HB       ALA  18  -1.511  -9.030  -6.201
  156   2HB   ALA  18          2HB       ALA  18  -1.671 -10.338  -5.029
  157   3HB   ALA  18          3HB       ALA  18  -0.673 -10.558  -6.467
  158    H    THR  19           H        THR  19  -0.885  -9.909  -2.740
  159    HA   THR  19           HA       THR  19  -1.888  -7.346  -2.052
  160    HB   THR  19           HB       THR  19  -1.456  -9.787  -0.321
  161    HG1  THR  19           1HG      THR  19  -3.800  -8.836  -1.602
  162   1HG2  THR  19          1HG2      THR  19  -2.900  -7.224   0.202
  163   2HG2  THR  19          2HG2      THR  19  -1.788  -8.112   1.243
  164   3HG2  THR  19          3HG2      THR  19  -3.415  -8.732   0.957
  165    H    PHE  20           H        PHE  20   1.032  -9.109  -1.184
  166    HA   PHE  20           HA       PHE  20   1.920  -7.468   0.899
  167   1HB   PHE  20          2HB       PHE  20   2.910  -9.658   0.413
  168   2HB   PHE  20          1HB       PHE  20   3.567  -9.036  -1.096
  169    HD1  PHE  20           1HD      PHE  20   5.342  -7.292  -1.032
  170    HD2  PHE  20           2HD      PHE  20   4.011  -9.312   2.470
  171    HE1  PHE  20           1HE      PHE  20   7.383  -6.586   0.146
  172    HE2  PHE  20           2HE      PHE  20   6.049  -8.607   3.655
  173    HZ   PHE  20           HZ       PHE  20   7.739  -7.243   2.493
  174    H    LEU  21           H        LEU  21   2.787  -7.350  -2.564
  175    HA   LEU  21           HA       LEU  21   4.364  -5.013  -2.323
  176   1HB   LEU  21          2HB       LEU  21   4.160  -4.888  -4.793
  177   2HB   LEU  21          1HB       LEU  21   4.695  -6.450  -4.205
  178    HG   LEU  21           HG       LEU  21   2.072  -6.956  -4.367
  179   1HD1  LEU  21          1HD1      LEU  21   0.941  -5.361  -5.418
  180   2HD1  LEU  21          2HD1      LEU  21   1.867  -5.738  -6.870
  181   3HD1  LEU  21          3HD1      LEU  21   2.419  -4.469  -5.777
  182   1HD2  LEU  21          1HD2      LEU  21   3.485  -8.426  -5.442
  183   2HD2  LEU  21          2HD2      LEU  21   4.266  -7.156  -6.382
  184   3HD2  LEU  21          3HD2      LEU  21   2.638  -7.689  -6.802
  185    H    PHE  22           H        PHE  22   1.031  -5.521  -3.435
  186    HA   PHE  22           HA       PHE  22   0.372  -2.915  -4.085
  187   1HB   PHE  22          2HB       PHE  22  -0.980  -5.118  -4.332
  188   2HB   PHE  22          1HB       PHE  22  -1.615  -4.717  -2.740
  189    HD1  PHE  22           1HD      PHE  22  -3.670  -3.722  -2.765
  190    HD2  PHE  22           2HD      PHE  22  -0.948  -2.889  -5.929
  191    HE1  PHE  22           1HE      PHE  22  -5.336  -2.238  -3.802
  192    HE2  PHE  22           2HE      PHE  22  -2.609  -1.401  -6.971
  193    HZ   PHE  22           HZ       PHE  22  -4.806  -1.075  -5.908
  194    H    VAL  23           H        VAL  23  -0.016  -4.526  -0.926
  195    HA   VAL  23           HA       VAL  23  -1.119  -2.294   0.383
  196    HB   VAL  23           HB       VAL  23  -0.672  -3.462   2.449
  197   1HG1  VAL  23          1HG1      VAL  23  -1.807  -4.897   0.128
  198   2HG1  VAL  23          2HG1      VAL  23  -2.570  -4.407   1.640
  199   3HG1  VAL  23          3HG1      VAL  23  -1.538  -5.836   1.596
  200   1HG2  VAL  23          1HG2      VAL  23   0.498  -5.710   2.327
  201   2HG2  VAL  23          2HG2      VAL  23   1.521  -4.276   2.233
  202   3HG2  VAL  23          3HG2      VAL  23   1.123  -5.173   0.770
  203    H    LEU  24           H        LEU  24   2.204  -3.549   0.313
  204    HA   LEU  24           HA       LEU  24   3.413  -1.765   2.033
  205   1HB   LEU  24          2HB       LEU  24   4.301  -3.805   0.561
  206   2HB   LEU  24          1HB       LEU  24   4.880  -2.492  -0.446
  207    HG   LEU  24           HG       LEU  24   6.574  -3.327   1.156
  208   1HD1  LEU  24          1HD1      LEU  24   7.331  -1.159   1.878
  209   2HD1  LEU  24          2HD1      LEU  24   5.708  -0.492   1.704
  210   3HD1  LEU  24          3HD1      LEU  24   6.605  -1.013   0.278
  211   1HD2  LEU  24          1HD2      LEU  24   4.951  -2.040   3.326
  212   2HD2  LEU  24          2HD2      LEU  24   6.347  -3.108   3.472
  213   3HD2  LEU  24          3HD2      LEU  24   4.793  -3.755   2.946
  214    H    ALA  25           H        ALA  25   3.504  -1.458  -1.518
  215    HA   ALA  25           HA       ALA  25   4.474   1.153  -1.584
  216   1HB   ALA  25          1HB       ALA  25   2.847  -0.404  -3.577
  217   2HB   ALA  25          2HB       ALA  25   4.590  -0.138  -3.564
  218   3HB   ALA  25          3HB       ALA  25   3.496   1.201  -3.911
  219    H    LEU  26           H        LEU  26   1.210  -0.051  -1.213
  220    HA   LEU  26           HA       LEU  26  -0.172   2.342  -1.772
  221   1HB   LEU  26          2HB       LEU  26  -0.791  -0.196  -0.357
  222   2HB   LEU  26          1HB       LEU  26  -1.835   1.175  -0.036
  223    HG   LEU  26           HG       LEU  26  -1.264   0.150  -2.814
  224   1HD1  LEU  26          1HD1      LEU  26  -3.282  -0.686  -0.788
  225   2HD1  LEU  26          2HD1      LEU  26  -2.395  -1.656  -1.964
  226   3HD1  LEU  26          3HD1      LEU  26  -3.739  -0.643  -2.491
  227   1HD2  LEU  26          1HD2      LEU  26  -2.064   2.270  -3.127
  228   2HD2  LEU  26          2HD2      LEU  26  -3.005   2.254  -1.635
  229   3HD2  LEU  26          3HD2      LEU  26  -3.581   1.373  -3.049
  230    H    LEU  27           H        LEU  27   0.931   0.936   1.301
  231    HA   LEU  27           HA       LEU  27   0.029   3.020   2.954
  232   1HB   LEU  27          2HB       LEU  27   2.475   1.396   3.566
  233   2HB   LEU  27          1HB       LEU  27   1.270   2.025   4.675
  234   1HD1  LEU  27          1HD1      LEU  27   0.920  -1.595   4.780
  235   2HD1  LEU  27          2HD1      LEU  27   2.193  -0.409   5.072
  236   3HD1  LEU  27          3HD1      LEU  27   2.165  -1.319   3.561
  237   1HD2  LEU  27          1HD2      LEU  27  -0.999  -0.657   4.644
  238   2HD2  LEU  27          2HD2      LEU  27  -1.364   0.808   3.732
  239   3HD2  LEU  27          3HD2      LEU  27  -0.541   0.919   5.289
  240    H    ILE  28           H        ILE  28   3.054   2.537   1.205
  241    HA   ILE  28           HA       ILE  28   4.501   4.648   2.378
  242    HB   ILE  28           HB       ILE  28   4.792   3.591  -0.438
  243   1HG1  ILE  28          2HG1      ILE  28   6.506   2.708   1.847
  244   2HG1  ILE  28          1HG1      ILE  28   4.909   1.991   1.665
  245   1HG2  ILE  28          1HG2      ILE  28   6.107   5.473  -0.422
  246   2HG2  ILE  28          2HG2      ILE  28   7.252   4.267   0.167
  247   3HG2  ILE  28          3HG2      ILE  28   6.450   5.351   1.303
  248   1HD1  ILE  28          1HD1      ILE  28   5.581   0.702  -0.014
  249   2HD1  ILE  28          2HD1      ILE  28   7.222   1.143   0.455
  250   3HD1  ILE  28          3HD1      ILE  28   6.399   2.036  -0.824
  251    H    HIS  29           H        HIS  29   2.978   4.587  -0.854
  252    HA   HIS  29           HA       HIS  29   3.221   7.334  -1.333
  253   1HB   HIS  29          2HB       HIS  29   1.650   5.105  -2.504
  254   2HB   HIS  29          1HB       HIS  29   1.087   6.736  -2.854
  255    HD1  HIS  29           1HD      HIS  29   2.620   4.497  -4.738
  256    HD2  HIS  29           2HD      HIS  29   4.048   8.127  -3.307
  257    HE1  HIS  29           1HE      HIS  29   4.471   5.158  -6.307
  258    HE2  HIS  29           2HE      HIS  29   5.259   7.401  -5.473
  259    H    PHE  30           H        PHE  30   0.655   5.480   0.186
  260    HA   PHE  30           HA       PHE  30  -1.260   7.527   0.343
  261   1HB   PHE  30          2HB       PHE  30  -1.795   5.143   0.650
  262   2HB   PHE  30          1HB       PHE  30  -0.898   5.141   2.164
  263    HD1  PHE  30           1HD      PHE  30  -3.387   7.505   0.707
  264    HD2  PHE  30           2HD      PHE  30  -2.361   4.905   3.915
  265    HE1  PHE  30           1HE      PHE  30  -5.422   8.192   1.907
  266    HE2  PHE  30           2HE      PHE  30  -4.396   5.585   5.121
  267    HZ   PHE  30           HZ       PHE  30  -5.929   7.229   4.117
  268    H    ILE  31           H        ILE  31   1.210   6.458   2.681
  269    HA   ILE  31           HA       ILE  31   0.423   8.308   4.679
  270    HB   ILE  31           HB       ILE  31   2.004   6.150   4.761
  271   1HG1  ILE  31          2HG1      ILE  31   2.914   7.315   6.974
  272   2HG1  ILE  31          1HG1      ILE  31   1.697   8.514   6.544
  273   1HG2  ILE  31          1HG2      ILE  31   4.316   6.772   5.182
  274   2HG2  ILE  31          2HG2      ILE  31   3.951   8.449   4.782
  275   3HG2  ILE  31          3HG2      ILE  31   3.841   7.203   3.540
  276   1HD1  ILE  31          1HD1      ILE  31   1.386   5.784   7.568
  277   2HD1  ILE  31          2HD1      ILE  31   0.266   6.244   6.285
  278   3HD1  ILE  31          3HD1      ILE  31   0.355   7.202   7.763
  279    H    LEU  32           H        LEU  32   3.046   8.382   2.264
  280    HA   LEU  32           HA       LEU  32   4.041  10.908   3.059
  281   1HB   LEU  32          2HB       LEU  32   5.204  10.926   0.895
  282   2HB   LEU  32          1HB       LEU  32   5.414   9.413   1.753
  283    HG   LEU  32           HG       LEU  32   3.362   8.679   0.233
  284   1HD1  LEU  32          1HD1      LEU  32   3.664  11.196  -0.717
  285   2HD1  LEU  32          2HD1      LEU  32   2.985   9.857  -1.643
  286   3HD1  LEU  32          3HD1      LEU  32   4.684  10.291  -1.835
  287   1HD2  LEU  32          1HD2      LEU  32   6.279   8.805  -0.476
  288   2HD2  LEU  32          2HD2      LEU  32   5.102   7.958  -1.480
  289   3HD2  LEU  32          3HD2      LEU  32   5.366   7.450   0.189
  290    H    LEU  33           H        LEU  33   1.816   9.927   0.483
  291    HA   LEU  33           HA       LEU  33   1.343  12.497  -0.539
  292   1HB   LEU  33          2HB       LEU  33  -0.236  11.520  -1.890
  293   2HB   LEU  33          1HB       LEU  33   0.733  10.130  -1.472
  294    HG   LEU  33           HG       LEU  33  -1.015   9.707   0.375
  295   1HD1  LEU  33          1HD1      LEU  33  -2.555  11.309   0.587
  296   2HD1  LEU  33          2HD1      LEU  33  -3.260  10.667  -0.896
  297   3HD1  LEU  33          3HD1      LEU  33  -2.142  12.029  -0.969
  298   1HD2  LEU  33          1HD2      LEU  33  -1.579   9.389  -2.564
  299   2HD2  LEU  33          2HD2      LEU  33  -2.533   8.615  -1.299
  300   3HD2  LEU  33          3HD2      LEU  33  -0.822   8.228  -1.474
  301    H    SER  34           H        SER  34  -0.356  10.600   1.914
  302    HA   SER  34           HA       SER  34  -2.428  12.417   2.427
  303   1HB   SER  34          2HB       SER  34  -2.610  10.148   3.209
  304   2HB   SER  34          1HB       SER  34  -1.158  10.319   4.195
  305    HG   SER  34           HG       SER  34  -2.263  11.387   5.667
  306    H    THR  35           H        THR  35   0.599  11.883   4.250
  307    HA   THR  35           HA       THR  35   0.218  14.010   6.046
  308    HB   THR  35           HB       THR  35   2.874  12.902   5.128
  309    HG1  THR  35           1HG      THR  35   1.980  11.111   5.821
  310   1HG2  THR  35          1HG2      THR  35   1.987  14.406   7.543
  311   2HG2  THR  35          2HG2      THR  35   3.424  14.625   6.545
  312   3HG2  THR  35          3HG2      THR  35   3.319  13.257   7.653
  313    H    GLU  36           H        GLU  36   1.823  13.869   2.910
  314    HA   GLU  36           HA       GLU  36   2.966  16.442   2.977
  315   1HB   GLU  36          2HB       GLU  36   3.658  14.695   1.388
  316   2HB   GLU  36          1HB       GLU  36   2.097  14.810   0.585
  317   1HG   GLU  36          2HG       GLU  36   2.620  17.196   0.078
  318   2HG   GLU  36          1HG       GLU  36   4.240  16.914   0.714
  319    H    ARG  37           H        ARG  37   0.037  15.320   1.276
  320    HA   ARG  37           HA       ARG  37  -0.814  17.890   0.500
  321   1HB   ARG  37          2HB       ARG  37  -1.548  15.536  -0.336
  322   2HB   ARG  37          1HB       ARG  37  -2.725  15.622   0.967
  323   1HG   ARG  37          2HG       ARG  37  -3.815  16.365  -0.991
  324   2HG   ARG  37          1HG       ARG  37  -3.502  17.799  -0.011
  325   1HD   ARG  37          2HD       ARG  37  -2.872  18.484  -2.132
  326   2HD   ARG  37          1HD       ARG  37  -1.339  17.996  -1.414
  327    HE   ARG  37           HE       ARG  37  -2.785  16.647  -3.548
  328   1HH1  ARG  37          1HH1      ARG  37  -0.124  16.572  -1.283
  329   2HH1  ARG  37          2HH1      ARG  37   0.746  15.361  -2.161
  330   1HH2  ARG  37          1HH2      ARG  37  -1.638  15.054  -4.695
  331   2HH2  ARG  37          2HH2      ARG  37  -0.110  14.500  -4.094
  332    H    PHE  38           H        PHE  38  -1.479  15.935   3.346
  333    HA   PHE  38           HA       PHE  38  -3.578  17.461   4.412
  334   1HB   PHE  38          2HB       PHE  38  -2.999  15.211   5.223
  335   2HB   PHE  38          1HB       PHE  38  -1.491  15.835   5.883
  336    HD1  PHE  38           1HD      PHE  38  -1.414  16.664   8.050
  337    HD2  PHE  38           2HD      PHE  38  -5.179  16.199   6.122
  338    HE1  PHE  38           1HE      PHE  38  -2.557  17.189  10.165
  339    HE2  PHE  38           2HE      PHE  38  -6.329  16.723   8.234
  340    HZ   PHE  38           HZ       PHE  38  -5.017  17.219  10.258
  341    H    ASN  39           H        ASN  39  -0.210  17.414   5.597
  342    HA   ASN  39           HA       ASN  39  -0.402  19.726   7.138
  343   1HB   ASN  39          2HB       ASN  39   1.500  17.854   6.811
  344   2HB   ASN  39          1HB       ASN  39   2.216  19.159   5.870
  345   1HD2  ASN  39          1HD2      ASN  39   2.429  17.798   8.719
  346   2HD2  ASN  39          2HD2      ASN  39   2.762  19.158   9.730
  347    H    TRP  40           H        TRP  40  -0.165  19.367   3.750
  348    HA   TRP  40           HA       TRP  40   1.028  21.863   3.091
  349   1HB   TRP  40          2HB       TRP  40   0.989  20.031   1.469
  350   2HB   TRP  40          1HB       TRP  40  -0.771  20.051   1.457
  351    HD1  TRP  40           HD       TRP  40   1.637  23.072   1.109
  352    HE1  TRP  40           1HE      TRP  40   1.096  24.264  -1.107
  353    HE3  TRP  40           3HE      TRP  40  -1.933  19.879  -0.683
  354    HZ2  TRP  40           2HZ      TRP  40  -0.618  23.900  -3.321
  355    HZ3  TRP  40           3HZ      TRP  40  -2.973  20.374  -2.856
  356    HH2  TRP  40           HH       TRP  40  -2.329  22.343  -4.147
  357    H    LEU  41           H        LEU  41  -2.301  20.797   2.478
  358    HA   LEU  41           HA       LEU  41  -3.345  23.420   2.360
  359   1HB   LEU  41          2HB       LEU  41  -4.463  21.472   1.346
  360   2HB   LEU  41          1HB       LEU  41  -4.752  20.808   2.942
  361    HG   LEU  41           HG       LEU  41  -5.943  23.231   3.201
  362   1HD1  LEU  41          1HD1      LEU  41  -5.379  23.356   0.604
  363   2HD1  LEU  41          2HD1      LEU  41  -6.847  24.051   1.290
  364   3HD1  LEU  41          3HD1      LEU  41  -6.903  22.473   0.505
  365   1HD2  LEU  41          1HD2      LEU  41  -8.052  21.858   2.417
  366   2HD2  LEU  41          2HD2      LEU  41  -7.196  21.453   3.904
  367   3HD2  LEU  41          3HD2      LEU  41  -6.901  20.521   2.436
  368    H    GLU  42           H        GLU  42  -2.381  21.393   4.921
  369    HA   GLU  42           HA       GLU  42  -4.094  22.222   6.958
  370   1HB   GLU  42          2HB       GLU  42  -2.656  20.277   7.214
  371   2HB   GLU  42          1HB       GLU  42  -1.233  21.306   7.133
  372   1HG   GLU  42          2HG       GLU  42  -1.604  20.738   9.409
  373   2HG   GLU  42          1HG       GLU  42  -2.016  22.440   9.200
  374    H    GLY  43           H        GLY  43  -0.833  23.334   6.097
  375   1HA   GLY  43          2HA       GLY  43  -0.085  25.561   6.091
  376   2HA   GLY  43          1HA       GLY  43  -1.517  26.023   6.998
  377    H    ALA  44           H        ALA  44   1.763  25.521   7.153
  378    HA   ALA  44           HA       ALA  44   1.919  26.156   9.905
  379   1HB   ALA  44          1HB       ALA  44   2.637  24.166  10.897
  380   2HB   ALA  44          2HB       ALA  44   2.905  23.379   9.341
  381   3HB   ALA  44          3HB       ALA  44   1.262  23.677   9.907
  382    H    SER  45           H        SER  45   3.144  27.703   8.565
  383    HA   SER  45           HA       SER  45   5.212  28.654   8.270
  384   1HB   SER  45          2HB       SER  45   5.977  26.630   9.823
  385   2HB   SER  45          1HB       SER  45   6.680  26.057   8.312
  386    H    THR  46           H        THR  46   3.426  27.421   6.253
  387    HA   THR  46           HA       THR  46   5.292  27.576   4.032
  388    HB   THR  46           HB       THR  46   4.822  25.505   3.071
  389    HG1  THR  46           1HG      THR  46   2.731  25.005   4.904
  390   1HG2  THR  46          1HG2      THR  46   4.645  24.788   5.981
  391   2HG2  THR  46          2HG2      THR  46   6.143  25.250   5.173
  392   3HG2  THR  46          3HG2      THR  46   5.272  23.806   4.658
  393    H    LYS  47           H        LYS  47   1.885  26.774   4.754
  394    HA   LYS  47           HA       LYS  47   0.969  28.155   2.405
  395   1HB   LYS  47          2HB       LYS  47  -0.104  26.265   4.242
  396   2HB   LYS  47          1HB       LYS  47  -1.174  27.660   4.225
  397   1HG   LYS  47          2HG       LYS  47  -0.815  27.345   1.588
  398   2HG   LYS  47          1HG       LYS  47  -0.606  25.675   2.121
  399   1HD   LYS  47          2HD       LYS  47  -2.897  25.847   1.698
  400   2HD   LYS  47          1HD       LYS  47  -2.775  26.041   3.450
  401   1HE   LYS  47          2HE       LYS  47  -4.309  27.663   2.315
  402   2HE   LYS  47          1HE       LYS  47  -3.034  28.402   3.285
  403   1HZ   LYS  47          1HZ       LYS  47  -3.563  29.212   0.856
  404   2HZ   LYS  47          2HZ       LYS  47  -2.504  27.959   0.443
  405   3HZ   LYS  47          3HZ       LYS  47  -1.981  29.208   1.458
  406    HA   PRO  48           HA       PRO  48  -0.737  31.340   5.542
  407   1HB   PRO  48          2HB       PRO  48  -0.294  31.031   8.176
  408   2HB   PRO  48          1HB       PRO  48  -1.624  30.210   7.351
  409   1HG   PRO  48          2HG       PRO  48   1.058  29.144   8.147
  410   2HG   PRO  48          1HG       PRO  48  -0.536  28.379   8.284
  411   1HD   PRO  48          2HD       PRO  48   1.237  27.831   6.278
  412   2HD   PRO  48          1HD       PRO  48  -0.521  27.677   6.101
  413    H    VAL  49           H        VAL  49   1.226  32.167   4.346
  414    HA   VAL  49           HA       VAL  49   3.517  32.741   6.055
  415    HB   VAL  49           HB       VAL  49   4.383  33.836   3.907
  416   1HG1  VAL  49          1HG1      VAL  49   4.881  31.495   4.892
  417   2HG1  VAL  49          2HG1      VAL  49   5.356  31.847   3.230
  418   3HG1  VAL  49          3HG1      VAL  49   3.897  30.909   3.551
  419   1HG2  VAL  49          1HG2      VAL  49   3.371  33.309   1.846
  420   2HG2  VAL  49          2HG2      VAL  49   2.065  33.888   2.880
  421   3HG2  VAL  49          3HG2      VAL  49   2.265  32.158   2.596
  422    H    GLN  50           H        GLN  50   3.775  34.614   7.062
  423    HA   GLN  50           HA       GLN  50   3.202  36.651   7.930
  424   1HB   GLN  50          2HB       GLN  50   3.144  38.385   5.858
  425   2HB   GLN  50          1HB       GLN  50   4.621  37.744   6.560
  426   1HG   GLN  50          2HG       GLN  50   4.679  36.009   4.834
  427   2HG   GLN  50          1HG       GLN  50   3.208  36.674   4.126
  428   1HE2  GLN  50          1HE2      GLN  50   3.298  38.818   3.248
  429   2HE2  GLN  50          2HE2      GLN  50   4.789  39.439   2.637
  430    H    THR  51           H        THR  51   1.591  37.482   4.915
  431    HA   THR  51           HA       THR  51  -1.046  36.986   5.941
  432    HB   THR  51           HB       THR  51  -1.505  39.589   5.548
  433    HG1  THR  51           1HG      THR  51   1.101  39.554   6.658
  434   1HG2  THR  51          1HG2      THR  51  -0.396  39.371   8.195
  435   2HG2  THR  51          2HG2      THR  51  -1.370  37.958   7.789
  436   3HG2  THR  51          3HG2      THR  51  -2.072  39.572   7.685
  437    H    SER  52           H        SER  52  -2.300  36.511   4.266
  438    HA   SER  52           HA       SER  52  -2.030  37.949   1.756
  439   1HB   SER  52          2HB       SER  52  -0.566  35.700   1.945
  440   2HB   SER  52          1HB       SER  52  -2.101  34.999   1.435
  441    HG   SER  52           HG       SER  52  -0.880  35.545  -0.374
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1   0.314 -36.338  -1.518
    2    HA   MET   1           HA       MET   1  -0.515 -36.310   1.197
    3   1HB   MET   1          2HB       MET   1   1.813 -37.699   1.003
    4   2HB   MET   1          1HB       MET   1   2.431 -36.073   1.257
    5   1HG   MET   1          2HG       MET   1   2.253 -36.679   3.417
    6   2HG   MET   1          1HG       MET   1   0.595 -36.125   3.189
    7   1HE   MET   1          1HE       MET   1  -0.961 -38.976   4.958
    8   2HE   MET   1          2HE       MET   1  -1.232 -37.419   4.174
    9   3HE   MET   1          3HE       MET   1   0.008 -37.577   5.419
   10    H    TRP   2           H        TRP   2   1.090 -34.405   2.320
   11    HA   TRP   2           HA       TRP   2   1.083 -32.108   2.406
   12   1HB   TRP   2          2HB       TRP   2   2.883 -32.990   0.214
   13   2HB   TRP   2          1HB       TRP   2   2.565 -31.263   0.342
   14    HD1  TRP   2           HD       TRP   2   3.409 -30.026   2.598
   15    HE1  TRP   2           1HE      TRP   2   5.278 -30.639   4.257
   16    HE3  TRP   2           3HE      TRP   2   4.069 -34.929   1.305
   17    HZ2  TRP   2           2HZ      TRP   2   6.828 -32.901   4.928
   18    HZ3  TRP   2           3HZ      TRP   2   5.765 -36.246   2.504
   19    HH2  TRP   2           HH       TRP   2   7.117 -35.252   4.277
   20    H    ARG   3           H        ARG   3  -1.265 -33.119   1.089
   21    HA   ARG   3           HA       ARG   3  -3.009 -32.458  -0.217
   22   1HB   ARG   3          2HB       ARG   3  -1.971 -29.649  -0.118
   23   2HB   ARG   3          1HB       ARG   3  -3.628 -30.227  -0.008
   24   1HG   ARG   3          2HG       ARG   3  -3.334 -30.929   2.232
   25   2HG   ARG   3          1HG       ARG   3  -1.585 -30.714   2.140
   26   1HD   ARG   3          2HD       ARG   3  -2.268 -28.820   3.284
   27   2HD   ARG   3          1HD       ARG   3  -2.155 -28.246   1.621
   28    HE   ARG   3           HE       ARG   3  -4.422 -27.921   1.610
   29   1HH1  ARG   3          1HH1      ARG   3  -3.574 -29.901   4.357
   30   2HH1  ARG   3          2HH1      ARG   3  -5.156 -29.828   5.056
   31   1HH2  ARG   3          1HH2      ARG   3  -6.503 -27.823   2.530
   32   2HH2  ARG   3          2HH2      ARG   3  -6.819 -28.649   4.019
   33    H    ILE   4           H        ILE   4  -1.353 -33.581  -1.838
   34    HA   ILE   4           HA       ILE   4  -0.427 -33.680  -3.921
   35    HB   ILE   4           HB       ILE   4  -2.565 -31.664  -4.597
   36   1HG1  ILE   4          2HG1      ILE   4  -3.659 -34.046  -5.244
   37   2HG1  ILE   4          1HG1      ILE   4  -2.700 -34.530  -3.849
   38   1HG2  ILE   4          1HG2      ILE   4  -0.765 -33.397  -6.164
   39   2HG2  ILE   4          2HG2      ILE   4  -1.502 -31.850  -6.582
   40   3HG2  ILE   4          3HG2      ILE   4  -2.445 -33.337  -6.698
   41   1HD1  ILE   4          1HD1      ILE   4  -4.813 -32.391  -3.913
   42   2HD1  ILE   4          2HD1      ILE   4  -3.818 -32.796  -2.515
   43   3HD1  ILE   4          3HD1      ILE   4  -4.943 -33.985  -3.171
   44    H    TRP   5           H        TRP   5   0.669 -31.644  -2.119
   45    HA   TRP   5           HA       TRP   5   1.875 -29.679  -2.110
   46   1HB   TRP   5          2HB       TRP   5   3.068 -31.741  -3.565
   47   2HB   TRP   5          1HB       TRP   5   3.325 -30.301  -4.545
   48    HD1  TRP   5           HD       TRP   5   5.347 -32.113  -2.431
   49    HE1  TRP   5           1HE      TRP   5   6.907 -30.689  -0.959
   50    HE3  TRP   5           3HE      TRP   5   2.940 -27.618  -2.802
   51    HZ2  TRP   5           2HZ      TRP   5   7.093 -28.017  -0.073
   52    HZ3  TRP   5           3HZ      TRP   5   3.873 -25.677  -1.611
   53    HH2  TRP   5           HH       TRP   5   5.907 -25.874  -0.275
   54    H    GLN   6           H        GLN   6  -0.618 -29.343  -3.545
   55    HA   GLN   6           HA       GLN   6  -0.074 -26.863  -4.795
   56   1HB   GLN   6          2HB       GLN   6  -0.286 -29.256  -6.518
   57   2HB   GLN   6          1HB       GLN   6  -1.211 -27.855  -7.036
   58   1HG   GLN   6          2HG       GLN   6   1.137 -26.673  -6.515
   59   2HG   GLN   6          1HG       GLN   6   1.702 -28.283  -6.956
   60   1HE2  GLN   6          1HE2      GLN   6   2.699 -27.218  -8.769
   61   2HE2  GLN   6          2HE2      GLN   6   1.764 -26.869 -10.179
   62    H    LEU   7           H        LEU   7  -1.963 -28.389  -2.906
   63    HA   LEU   7           HA       LEU   7  -4.553 -27.961  -4.120
   64   1HB   LEU   7          2HB       LEU   7  -3.585 -28.950  -1.469
   65   2HB   LEU   7          1HB       LEU   7  -5.251 -28.431  -1.635
   66    HG   LEU   7           HG       LEU   7  -3.890 -30.697  -3.079
   67   1HD1  LEU   7          1HD1      LEU   7  -5.863 -30.443  -0.878
   68   2HD1  LEU   7          2HD1      LEU   7  -4.560 -31.610  -1.105
   69   3HD1  LEU   7          3HD1      LEU   7  -6.060 -31.776  -2.015
   70   1HD2  LEU   7          1HD2      LEU   7  -6.472 -29.295  -3.640
   71   2HD2  LEU   7          2HD2      LEU   7  -6.301 -31.018  -3.974
   72   3HD2  LEU   7          3HD2      LEU   7  -5.237 -29.856  -4.767
   73    H    PHE   8           H        PHE   8  -2.924 -26.688  -1.220
   74    HA   PHE   8           HA       PHE   8  -4.126 -24.069  -1.758
   75   1HB   PHE   8          2HB       PHE   8  -4.430 -25.712   0.731
   76   2HB   PHE   8          1HB       PHE   8  -4.415 -23.955   0.843
   77    HD1  PHE   8           1HD      PHE   8  -6.095 -26.732  -0.981
   78    HD2  PHE   8           2HD      PHE   8  -6.384 -22.782   0.577
   79    HE1  PHE   8           1HE      PHE   8  -8.484 -26.679  -1.567
   80    HE2  PHE   8           2HE      PHE   8  -8.773 -22.722  -0.006
   81    HZ   PHE   8           HZ       PHE   8  -9.827 -24.673  -1.079
   82    H    ASP   9           H        ASP   9  -2.000 -23.516  -2.466
   83    HA   ASP   9           HA       ASP   9  -0.383 -22.420  -0.388
   84   1HB   ASP   9          2HB       ASP   9   1.519 -23.975  -1.862
   85   2HB   ASP   9          1HB       ASP   9   1.206 -23.974  -0.133
   86    HA   PRO  10           HA       PRO  10   1.717 -21.415  -4.699
   87   1HB   PRO  10          2HB       PRO  10   0.125 -22.290  -6.818
   88   2HB   PRO  10          1HB       PRO  10   1.637 -23.033  -6.290
   89   1HG   PRO  10          2HG       PRO  10  -1.176 -23.808  -5.667
   90   2HG   PRO  10          1HG       PRO  10   0.235 -24.839  -5.968
   91   1HD   PRO  10          2HD       PRO  10  -0.685 -24.450  -3.491
   92   2HD   PRO  10          1HD       PRO  10   1.058 -24.554  -3.814
   93    H    ARG  11           H        ARG  11  -1.817 -21.814  -5.059
   94    HA   ARG  11           HA       ARG  11  -2.329 -19.390  -6.317
   95   1HB   ARG  11          2HB       ARG  11  -3.980 -21.199  -6.129
   96   2HB   ARG  11          1HB       ARG  11  -4.113 -20.905  -4.401
   97   1HG   ARG  11          2HG       ARG  11  -4.792 -18.513  -5.089
   98   2HG   ARG  11          1HG       ARG  11  -5.079 -19.226  -6.678
   99   1HD   ARG  11          2HD       ARG  11  -7.154 -19.416  -5.688
  100   2HD   ARG  11          1HD       ARG  11  -6.442 -20.992  -5.346
  101    HE   ARG  11           HE       ARG  11  -6.491 -20.486  -3.118
  102   1HH1  ARG  11          1HH1      ARG  11  -6.864 -17.534  -4.942
  103   2HH1  ARG  11          2HH1      ARG  11  -7.203 -16.566  -3.546
  104   1HH2  ARG  11          1HH2      ARG  11  -6.937 -19.216  -1.281
  105   2HH2  ARG  11          2HH2      ARG  11  -7.244 -17.521  -1.467
  106    H    GLN  12           H        GLN  12  -2.658 -20.132  -2.843
  107    HA   GLN  12           HA       GLN  12  -3.240 -17.529  -2.004
  108   1HB   GLN  12          2HB       GLN  12  -2.248 -20.006  -0.696
  109   2HB   GLN  12          1HB       GLN  12  -2.045 -18.499   0.186
  110   1HG   GLN  12          2HG       GLN  12  -4.394 -18.089   0.170
  111   2HG   GLN  12          1HG       GLN  12  -4.674 -19.440  -0.928
  112   1HE2  GLN  12          1HE2      GLN  12  -2.814 -19.047   2.070
  113   2HE2  GLN  12          2HE2      GLN  12  -3.552 -20.368   2.903
  114    H    ALA  13           H        ALA  13  -0.208 -19.089  -2.742
  115    HA   ALA  13           HA       ALA  13   1.530 -17.277  -1.469
  116   1HB   ALA  13          1HB       ALA  13   2.749 -19.073  -2.078
  117   2HB   ALA  13          2HB       ALA  13   3.019 -18.138  -3.549
  118   3HB   ALA  13          3HB       ALA  13   1.770 -19.383  -3.512
  119    H    LEU  14           H        LEU  14   0.336 -17.408  -4.821
  120    HA   LEU  14           HA       LEU  14   1.664 -15.063  -5.679
  121   1HB   LEU  14          2HB       LEU  14  -0.684 -16.624  -6.714
  122   2HB   LEU  14          1HB       LEU  14  -0.191 -15.127  -7.478
  123    HG   LEU  14           HG       LEU  14   0.660 -17.471  -8.342
  124   1HD1  LEU  14          1HD1      LEU  14   2.095 -16.296  -9.626
  125   2HD1  LEU  14          2HD1      LEU  14   2.843 -15.490  -8.246
  126   3HD1  LEU  14          3HD1      LEU  14   1.293 -14.922  -8.867
  127   1HD2  LEU  14          1HD2      LEU  14   1.655 -18.202  -6.256
  128   2HD2  LEU  14          2HD2      LEU  14   2.680 -16.769  -6.216
  129   3HD2  LEU  14          3HD2      LEU  14   2.905 -17.979  -7.479
  130    H    VAL  15           H        VAL  15  -1.470 -15.677  -4.218
  131    HA   VAL  15           HA       VAL  15  -2.527 -13.069  -4.593
  132    HB   VAL  15           HB       VAL  15  -3.237 -15.032  -2.406
  133   1HG1  VAL  15          1HG1      VAL  15  -4.660 -12.660  -3.589
  134   2HG1  VAL  15          2HG1      VAL  15  -4.169 -12.909  -1.914
  135   3HG1  VAL  15          3HG1      VAL  15  -5.470 -13.879  -2.605
  136   1HG2  VAL  15          1HG2      VAL  15  -4.912 -14.840  -4.828
  137   2HG2  VAL  15          2HG2      VAL  15  -4.511 -16.239  -3.831
  138   3HG2  VAL  15          3HG2      VAL  15  -3.354 -15.643  -5.021
  139    H    GLY  16           H        GLY  16  -0.353 -14.514  -2.301
  140   1HA   GLY  16          2HA       GLY  16  -0.583 -12.474  -0.301
  141   2HA   GLY  16          1HA       GLY  16   0.679 -13.694  -0.408
  142    H    LEU  17           H        LEU  17   1.648 -13.149  -2.956
  143    HA   LEU  17           HA       LEU  17   3.444 -11.033  -2.430
  144   1HB   LEU  17          2HB       LEU  17   2.993 -11.782  -5.256
  145   2HB   LEU  17          1HB       LEU  17   4.492 -11.612  -4.368
  146    HG   LEU  17           HG       LEU  17   2.638 -13.981  -4.383
  147   1HD1  LEU  17          1HD1      LEU  17   5.523 -13.713  -5.192
  148   2HD1  LEU  17          2HD1      LEU  17   4.157 -13.709  -6.307
  149   3HD1  LEU  17          3HD1      LEU  17   4.506 -15.146  -5.346
  150   1HD2  LEU  17          1HD2      LEU  17   3.325 -13.953  -2.168
  151   2HD2  LEU  17          2HD2      LEU  17   4.902 -13.271  -2.562
  152   3HD2  LEU  17          3HD2      LEU  17   4.550 -14.957  -2.943
  153    H    ALA  18           H        ALA  18   0.970 -11.289  -4.959
  154    HA   ALA  18           HA       ALA  18   1.042  -8.665  -5.845
  155   1HB   ALA  18          1HB       ALA  18  -1.274 -10.591  -5.802
  156   2HB   ALA  18          2HB       ALA  18  -0.099 -10.363  -7.098
  157   3HB   ALA  18          3HB       ALA  18  -1.246  -9.080  -6.711
  158    H    THR  19           H        THR  19  -1.017 -10.062  -3.299
  159    HA   THR  19           HA       THR  19  -2.423  -7.658  -2.770
  160    HB   THR  19           HB       THR  19  -1.984 -10.085  -1.021
  161    HG1  THR  19           1HG      THR  19  -4.062 -10.635  -1.778
  162   1HG2  THR  19          1HG2      THR  19  -3.879  -7.780  -0.720
  163   2HG2  THR  19          2HG2      THR  19  -2.721  -8.406   0.453
  164   3HG2  THR  19          3HG2      THR  19  -4.149  -9.352   0.031
  165    H    PHE  20           H        PHE  20   0.420  -9.153  -1.297
  166    HA   PHE  20           HA       PHE  20   0.753  -7.372   0.833
  167   1HB   PHE  20          2HB       PHE  20   1.937  -9.513   0.691
  168   2HB   PHE  20          1HB       PHE  20   2.864  -8.919  -0.683
  169    HD1  PHE  20           1HD      PHE  20   4.424  -6.968  -0.326
  170    HD2  PHE  20           2HD      PHE  20   2.629  -9.106   2.885
  171    HE1  PHE  20           1HE      PHE  20   6.132  -6.086   1.211
  172    HE2  PHE  20           2HE      PHE  20   4.332  -8.228   4.428
  173    HZ   PHE  20           HZ       PHE  20   6.087  -6.715   3.592
  174    H    LEU  21           H        LEU  21   2.226  -7.311  -2.414
  175    HA   LEU  21           HA       LEU  21   3.675  -4.926  -1.981
  176   1HB   LEU  21          2HB       LEU  21   3.836  -4.836  -4.467
  177   2HB   LEU  21          1HB       LEU  21   4.354  -6.354  -3.761
  178    HG   LEU  21           HG       LEU  21   1.811  -6.999  -4.304
  179   1HD1  LEU  21          1HD1      LEU  21   0.800  -5.819  -5.920
  180   2HD1  LEU  21          2HD1      LEU  21   2.306  -5.538  -6.795
  181   3HD1  LEU  21          3HD1      LEU  21   1.885  -4.522  -5.417
  182   1HD2  LEU  21          1HD2      LEU  21   2.727  -7.847  -6.534
  183   2HD2  LEU  21          2HD2      LEU  21   3.543  -8.375  -5.063
  184   3HD2  LEU  21          3HD2      LEU  21   4.247  -7.095  -6.051
  185    H    PHE  22           H        PHE  22   0.587  -5.521  -3.639
  186    HA   PHE  22           HA       PHE  22  -0.003  -2.911  -4.368
  187   1HB   PHE  22          2HB       PHE  22  -1.226  -5.164  -4.877
  188   2HB   PHE  22          1HB       PHE  22  -2.179  -4.757  -3.454
  189    HD1  PHE  22           1HD      PHE  22  -2.995  -2.191  -3.471
  190    HD2  PHE  22           2HD      PHE  22  -2.094  -4.546  -6.900
  191    HE1  PHE  22           1HE      PHE  22  -4.427  -0.735  -4.844
  192    HE2  PHE  22           2HE      PHE  22  -3.524  -3.095  -8.278
  193    HZ   PHE  22           HZ       PHE  22  -4.692  -1.186  -7.251
  194    H    VAL  23           H        VAL  23  -0.955  -4.613  -1.377
  195    HA   VAL  23           HA       VAL  23  -2.347  -2.459  -0.249
  196    HB   VAL  23           HB       VAL  23  -2.220  -3.648   1.851
  197   1HG1  VAL  23          1HG1      VAL  23  -2.811  -6.039   0.832
  198   2HG1  VAL  23          2HG1      VAL  23  -2.855  -5.085  -0.651
  199   3HG1  VAL  23          3HG1      VAL  23  -3.897  -4.655   0.704
  200   1HG2  VAL  23          1HG2      VAL  23   0.022  -4.358   2.006
  201   2HG2  VAL  23          2HG2      VAL  23  -0.087  -5.263   0.499
  202   3HG2  VAL  23          3HG2      VAL  23  -0.945  -5.831   1.929
  203    H    LEU  24           H        LEU  24   0.996  -3.572   0.318
  204    HA   LEU  24           HA       LEU  24   1.687  -1.579   2.156
  205   1HB   LEU  24          2HB       LEU  24   3.293  -3.177   2.162
  206   2HB   LEU  24          1HB       LEU  24   3.113  -3.516   0.453
  207    HG   LEU  24           HG       LEU  24   4.470  -0.996   1.337
  208   1HD1  LEU  24          1HD1      LEU  24   6.588  -2.519   0.939
  209   2HD1  LEU  24          2HD1      LEU  24   5.496  -3.775   1.523
  210   3HD1  LEU  24          3HD1      LEU  24   5.841  -2.369   2.530
  211   1HD2  LEU  24          1HD2      LEU  24   4.200  -2.614  -1.122
  212   2HD2  LEU  24          2HD2      LEU  24   5.770  -1.862  -0.837
  213   3HD2  LEU  24          3HD2      LEU  24   4.316  -0.867  -0.919
  214    H    ALA  25           H        ALA  25   1.627  -1.619  -1.344
  215    HA   ALA  25           HA       ALA  25   3.085   0.728  -1.836
  216   1HB   ALA  25          1HB       ALA  25   1.697   0.758  -3.989
  217   2HB   ALA  25          2HB       ALA  25   0.979  -0.738  -3.393
  218   3HB   ALA  25          3HB       ALA  25   2.716  -0.650  -3.689
  219    H    LEU  26           H        LEU  26  -0.449   0.243  -1.624
  220    HA   LEU  26           HA       LEU  26  -1.094   2.968  -1.876
  221   1HB   LEU  26          2HB       LEU  26  -3.290   2.381  -1.421
  222   2HB   LEU  26          1HB       LEU  26  -2.619   0.917  -2.107
  223    HG   LEU  26           HG       LEU  26  -2.203   0.409   0.500
  224   1HD1  LEU  26          1HD1      LEU  26  -3.554   2.711   0.759
  225   2HD1  LEU  26          2HD1      LEU  26  -3.626   1.402   1.940
  226   3HD1  LEU  26          3HD1      LEU  26  -4.900   1.573   0.733
  227   1HD2  LEU  26          1HD2      LEU  26  -3.466  -0.874  -1.320
  228   2HD2  LEU  26          2HD2      LEU  26  -4.907  -0.066  -0.706
  229   3HD2  LEU  26          3HD2      LEU  26  -3.967  -1.117   0.353
  230    H    LEU  27           H        LEU  27  -0.237   1.002   0.910
  231    HA   LEU  27           HA       LEU  27  -1.064   2.786   2.921
  232   1HB   LEU  27          2HB       LEU  27   0.774   0.475   2.732
  233   2HB   LEU  27          1HB       LEU  27   1.065   1.575   4.065
  234   1HD1  LEU  27          1HD2      LEU  27  -1.962   1.105   5.874
  235   2HD1  LEU  27          2HD2      LEU  27  -2.446   1.855   4.352
  236   3HD1  LEU  27          3HD2      LEU  27  -0.989   2.404   5.182
  237   1HD2  LEU  27          1HD1      LEU  27  -1.879   0.239   2.376
  238   2HD2  LEU  27          2HD1      LEU  27  -2.599  -0.532   3.787
  239   3HD2  LEU  27          3HD1      LEU  27  -1.168  -1.234   3.031
  240    H    ILE  28           H        ILE  28   2.075   2.387   1.302
  241    HA   ILE  28           HA       ILE  28   3.417   4.428   2.699
  242    HB   ILE  28           HB       ILE  28   3.986   3.483  -0.113
  243   1HG1  ILE  28          2HG1      ILE  28   5.477   2.449   2.250
  244   2HG1  ILE  28          1HG1      ILE  28   3.859   1.813   1.967
  245   1HG2  ILE  28          1HG2      ILE  28   6.384   4.062   0.939
  246   2HG2  ILE  28          2HG2      ILE  28   5.390   5.228   1.810
  247   3HG2  ILE  28          3HG2      ILE  28   5.411   5.231   0.047
  248   1HD1  ILE  28          1HD1      ILE  28   5.747   0.492   0.979
  249   2HD1  ILE  28          2HD1      ILE  28   5.999   1.834  -0.138
  250   3HD1  ILE  28          3HD1      ILE  28   4.470   0.954  -0.146
  251    H    HIS  29           H        HIS  29   1.964   4.469  -0.563
  252    HA   HIS  29           HA       HIS  29   2.419   7.176  -1.093
  253   1HB   HIS  29          2HB       HIS  29   1.417   5.130  -2.535
  254   2HB   HIS  29          1HB       HIS  29  -0.076   5.986  -2.166
  255    HD1  HIS  29           1HD      HIS  29   3.237   7.650  -2.900
  256    HD2  HIS  29           2HD      HIS  29  -0.502   7.114  -4.631
  257    HE1  HIS  29           1HE      HIS  29   3.214   9.140  -4.925
  258    HE2  HIS  29           2HE      HIS  29   0.974   8.733  -6.005
  259    H    PHE  30           H        PHE  30  -0.269   5.571   0.499
  260    HA   PHE  30           HA       PHE  30  -1.963   7.797   0.731
  261   1HB   PHE  30          2HB       PHE  30  -2.737   5.479   1.013
  262   2HB   PHE  30          1HB       PHE  30  -1.801   5.351   2.498
  263    HD1  PHE  30           1HD      PHE  30  -2.387   6.922   4.410
  264    HD2  PHE  30           2HD      PHE  30  -4.913   6.303   1.043
  265    HE1  PHE  30           1HE      PHE  30  -4.301   7.786   5.693
  266    HE2  PHE  30           2HE      PHE  30  -6.832   7.165   2.318
  267    HZ   PHE  30           HZ       PHE  30  -6.528   7.909   4.646
  268    H    ILE  31           H        ILE  31   0.462   6.443   2.960
  269    HA   ILE  31           HA       ILE  31  -0.075   8.310   5.025
  270    HB   ILE  31           HB       ILE  31   1.305   6.007   4.982
  271   1HG1  ILE  31          2HG1      ILE  31   2.173   6.681   7.243
  272   2HG1  ILE  31          1HG1      ILE  31   1.631   8.321   6.898
  273   1HG2  ILE  31          1HG2      ILE  31   3.195   6.939   3.748
  274   2HG2  ILE  31          2HG2      ILE  31   3.673   6.420   5.364
  275   3HG2  ILE  31          3HG2      ILE  31   3.442   8.134   5.021
  276   1HD1  ILE  31          1HD1      ILE  31  -0.627   7.683   6.906
  277   2HD1  ILE  31          2HD1      ILE  31   0.101   6.878   8.296
  278   3HD1  ILE  31          3HD1      ILE  31  -0.227   5.968   6.821
  279    H    LEU  32           H        LEU  32   2.460   8.194   2.514
  280    HA   LEU  32           HA       LEU  32   3.711  10.598   3.318
  281   1HB   LEU  32          2HB       LEU  32   4.789  10.564   1.112
  282   2HB   LEU  32          1HB       LEU  32   4.890   9.015   1.924
  283    HG   LEU  32           HG       LEU  32   2.725   8.515   0.467
  284   1HD1  LEU  32          1HD1      LEU  32   4.112  10.053  -1.614
  285   2HD1  LEU  32          2HD1      LEU  32   3.229  11.020  -0.434
  286   3HD1  LEU  32          3HD1      LEU  32   2.389   9.776  -1.361
  287   1HD2  LEU  32          1HD2      LEU  32   5.624   8.252  -0.049
  288   2HD2  LEU  32          2HD2      LEU  32   4.544   7.927  -1.405
  289   3HD2  LEU  32          3HD2      LEU  32   4.379   7.012   0.093
  290    H    LEU  33           H        LEU  33   1.329   9.891   0.794
  291    HA   LEU  33           HA       LEU  33   1.033  12.517  -0.142
  292   1HB   LEU  33          2HB       LEU  33  -0.660  11.706  -1.456
  293   2HB   LEU  33          1HB       LEU  33   0.180  10.220  -1.086
  294    HG   LEU  33           HG       LEU  33  -1.542   9.957   0.820
  295   1HD1  LEU  33          1HD1      LEU  33  -3.186  11.435   1.030
  296   2HD1  LEU  33          2HD1      LEU  33  -3.586  11.313  -0.684
  297   3HD1  LEU  33          3HD1      LEU  33  -2.354  12.454  -0.145
  298   1HD2  LEU  33          1HD2      LEU  33  -3.178   8.973  -0.776
  299   2HD2  LEU  33          2HD2      LEU  33  -1.508   8.498  -1.085
  300   3HD2  LEU  33          3HD2      LEU  33  -2.278   9.723  -2.094
  301    H    SER  34           H        SER  34  -0.620  10.720   2.405
  302    HA   SER  34           HA       SER  34  -2.563  12.652   3.033
  303   1HB   SER  34          2HB       SER  34  -2.780  10.373   3.834
  304   2HB   SER  34          1HB       SER  34  -1.294  10.524   4.770
  305    HG   SER  34           HG       SER  34  -2.500  11.254   6.313
  306    H    THR  35           H        THR  35   0.468  11.904   4.773
  307    HA   THR  35           HA       THR  35   0.359  14.083   6.521
  308    HB   THR  35           HB       THR  35   2.885  12.794   5.489
  309    HG1  THR  35           1HG      THR  35   2.363  11.059   6.530
  310   1HG2  THR  35          1HG2      THR  35   2.320  13.778   8.264
  311   2HG2  THR  35          2HG2      THR  35   3.062  14.791   7.026
  312   3HG2  THR  35          3HG2      THR  35   3.866  13.313   7.555
  313    H    GLU  36           H        GLU  36   2.072  13.768   3.421
  314    HA   GLU  36           HA       GLU  36   3.229  16.323   3.436
  315   1HB   GLU  36          2HB       GLU  36   3.763  15.957   1.149
  316   2HB   GLU  36          1HB       GLU  36   3.857  14.393   1.939
  317   1HG   GLU  36          2HG       GLU  36   2.763  13.887  -0.012
  318   2HG   GLU  36          1HG       GLU  36   1.424  14.105   1.109
  319    H    ARG  37           H        ARG  37   0.155  15.168   2.102
  320    HA   ARG  37           HA       ARG  37  -0.599  17.630   0.925
  321   1HB   ARG  37          2HB       ARG  37  -1.633  15.510   0.275
  322   2HB   ARG  37          1HB       ARG  37  -2.312  15.330   1.887
  323   1HG   ARG  37          2HG       ARG  37  -3.973  16.103   0.271
  324   2HG   ARG  37          1HG       ARG  37  -3.703  17.285   1.554
  325   1HD   ARG  37          2HD       ARG  37  -2.847  18.815   0.139
  326   2HD   ARG  37          1HD       ARG  37  -1.995  17.603  -0.818
  327    HE   ARG  37           HE       ARG  37  -4.580  17.189  -1.479
  328   1HH1  ARG  37          1HH1      ARG  37  -2.578  20.046  -1.408
  329   2HH1  ARG  37          2HH1      ARG  37  -3.423  20.823  -2.704
  330   1HH2  ARG  37          1HH2      ARG  37  -5.693  18.208  -3.183
  331   2HH2  ARG  37          2HH2      ARG  37  -5.193  19.780  -3.712
  332    H    PHE  38           H        PHE  38  -1.050  16.222   4.110
  333    HA   PHE  38           HA       PHE  38  -2.918  18.058   5.119
  334   1HB   PHE  38          2HB       PHE  38  -2.044  15.815   6.115
  335   2HB   PHE  38          1HB       PHE  38  -0.795  16.819   6.846
  336    HD1  PHE  38           1HD      PHE  38  -4.497  16.601   6.503
  337    HD2  PHE  38           2HD      PHE  38  -1.187  17.783   8.902
  338    HE1  PHE  38           1HE      PHE  38  -6.034  17.162   8.341
  339    HE2  PHE  38           2HE      PHE  38  -2.718  18.345  10.744
  340    HZ   PHE  38           HZ       PHE  38  -5.145  18.035  10.465
  341    H    ASN  39           H        ASN  39   0.568  17.935   5.884
  342    HA   ASN  39           HA       ASN  39   0.719  20.459   7.050
  343   1HB   ASN  39          2HB       ASN  39   2.772  18.705   5.728
  344   2HB   ASN  39          1HB       ASN  39   3.205  20.275   6.396
  345   1HD2  ASN  39          1HD2      ASN  39   2.777  17.020   7.040
  346   2HD2  ASN  39          2HD2      ASN  39   2.840  17.086   8.765
  347    H    TRP  40           H        TRP  40   0.514  19.562   3.753
  348    HA   TRP  40           HA       TRP  40   1.717  21.839   2.561
  349   1HB   TRP  40          2HB       TRP  40   1.359  19.778   1.281
  350   2HB   TRP  40          1HB       TRP  40  -0.382  19.945   1.469
  351    HD1  TRP  40           HD       TRP  40   0.991  23.284   0.793
  352    HE1  TRP  40           1HE      TRP  40   0.698  23.914  -1.685
  353    HE3  TRP  40           3HE      TRP  40  -0.211  18.680  -1.078
  354    HZ2  TRP  40           2HZ      TRP  40   0.044  22.630  -4.111
  355    HZ3  TRP  40           3HZ      TRP  40  -0.655  18.467  -3.489
  356    HH2  TRP  40           HH       TRP  40  -0.531  20.401  -4.972
  357    H    LEU  41           H        LEU  41  -1.715  20.932   2.552
  358    HA   LEU  41           HA       LEU  41  -2.618  23.584   2.157
  359   1HB   LEU  41          2HB       LEU  41  -4.834  22.716   2.614
  360   2HB   LEU  41          1HB       LEU  41  -3.964  21.601   1.578
  361    HG   LEU  41           HG       LEU  41  -3.397  20.390   3.832
  362   1HD1  LEU  41          1HD1      LEU  41  -4.232  21.610   5.548
  363   2HD1  LEU  41          2HD1      LEU  41  -5.673  20.658   5.190
  364   3HD1  LEU  41          3HD1      LEU  41  -5.528  22.304   4.572
  365   1HD2  LEU  41          1HD2      LEU  41  -4.989  18.850   3.291
  366   2HD2  LEU  41          2HD2      LEU  41  -5.005  19.812   1.813
  367   3HD2  LEU  41          3HD2      LEU  41  -6.242  20.066   3.044
  368    H    GLU  42           H        GLU  42  -1.384  21.931   4.850
  369    HA   GLU  42           HA       GLU  42  -2.811  23.106   6.938
  370   1HB   GLU  42          2HB       GLU  42  -1.360  21.179   7.293
  371   2HB   GLU  42          1HB       GLU  42   0.045  22.158   6.901
  372   1HG   GLU  42          2HG       GLU  42  -1.114  23.589   8.917
  373   2HG   GLU  42          1HG       GLU  42  -1.449  21.924   9.391
  374    H    GLY  43           H        GLY  43   0.516  23.885   5.936
  375   1HA   GLY  43          2HA       GLY  43   0.003  26.696   5.822
  376   2HA   GLY  43          1HA       GLY  43   0.825  26.247   7.309
  377    H    ALA  44           H        ALA  44   2.767  24.738   6.901
  378    HA   ALA  44           HA       ALA  44   4.971  24.819   6.271
  379   1HB   ALA  44          1HB       ALA  44   5.239  24.168   3.844
  380   2HB   ALA  44          2HB       ALA  44   3.483  24.272   3.720
  381   3HB   ALA  44          3HB       ALA  44   4.223  23.117   4.830
  382    H    SER  45           H        SER  45   3.911  26.187   3.191
  383    HA   SER  45           HA       SER  45   5.949  28.167   3.266
  384   1HB   SER  45          2HB       SER  45   4.779  29.010   1.173
  385   2HB   SER  45          1HB       SER  45   5.328  27.335   1.125
  386    H    THR  46           H        THR  46   2.580  28.143   4.149
  387    HA   THR  46           HA       THR  46   2.428  31.035   4.306
  388    HB   THR  46           HB       THR  46   0.138  30.762   4.795
  389    HG1  THR  46           1HG      THR  46  -0.678  28.646   5.374
  390   1HG2  THR  46          1HG2      THR  46  -0.646  29.717   2.963
  391   2HG2  THR  46          2HG2      THR  46   0.303  28.258   3.250
  392   3HG2  THR  46          3HG2      THR  46   1.065  29.681   2.536
  393    H    LYS  47           H        LYS  47   3.445  28.494   6.312
  394    HA   LYS  47           HA       LYS  47   2.700  29.667   8.822
  395   1HB   LYS  47          2HB       LYS  47   3.022  27.249   8.605
  396   2HB   LYS  47          1HB       LYS  47   4.709  27.501   8.176
  397   1HG   LYS  47          2HG       LYS  47   4.934  28.641  10.450
  398   2HG   LYS  47          1HG       LYS  47   3.371  27.914  10.826
  399   1HD   LYS  47          2HD       LYS  47   4.227  25.825  10.969
  400   2HD   LYS  47          1HD       LYS  47   5.389  26.101   9.669
  401   1HE   LYS  47          2HE       LYS  47   6.405  27.737  11.538
  402   2HE   LYS  47          1HE       LYS  47   5.650  26.533  12.582
  403   1HZ   LYS  47          1HZ       LYS  47   8.099  26.280  11.604
  404   2HZ   LYS  47          2HZ       LYS  47   7.238  25.505  10.373
  405   3HZ   LYS  47          3HZ       LYS  47   7.114  24.953  11.967
  406    HA   PRO  48           HA       PRO  48   5.825  32.749   9.310
  407   1HB   PRO  48          2HB       PRO  48   6.057  31.689  12.087
  408   2HB   PRO  48          1HB       PRO  48   5.795  33.346  11.533
  409   1HG   PRO  48          2HG       PRO  48   3.789  31.930  12.555
  410   2HG   PRO  48          1HG       PRO  48   3.528  33.008  11.173
  411   1HD   PRO  48          2HD       PRO  48   3.739  30.032  11.245
  412   2HD   PRO  48          1HD       PRO  48   2.719  31.068  10.227
  413    H    VAL  49           H        VAL  49   7.882  32.668   8.697
  414    HA   VAL  49           HA       VAL  49   9.676  30.672   9.863
  415    HB   VAL  49           HB       VAL  49   9.567  31.129   6.881
  416   1HG1  VAL  49          1HG1      VAL  49  11.331  29.639   8.713
  417   2HG1  VAL  49          2HG1      VAL  49  11.674  30.366   7.143
  418   3HG1  VAL  49          3HG1      VAL  49  10.867  28.800   7.232
  419   1HG2  VAL  49          1HG2      VAL  49   8.867  28.534   7.201
  420   2HG2  VAL  49          2HG2      VAL  49   7.717  29.851   6.975
  421   3HG2  VAL  49          3HG2      VAL  49   8.076  29.264   8.598
  422    H    GLN  50           H        GLN  50   9.415  33.420   7.620
  423    HA   GLN  50           HA       GLN  50  11.422  34.890   9.026
  424   1HB   GLN  50          2HB       GLN  50  12.976  35.077   7.066
  425   2HB   GLN  50          1HB       GLN  50  12.965  33.499   7.842
  426   1HG   GLN  50          2HG       GLN  50  12.230  32.469   6.006
  427   2HG   GLN  50          1HG       GLN  50  11.057  33.735   5.649
  428   1HE2  GLN  50          1HE2      GLN  50  11.470  35.095   4.036
  429   2HE2  GLN  50          2HE2      GLN  50  12.971  35.214   3.187
  430    H    THR  51           H        THR  51   9.646  36.346   9.081
  431    HA   THR  51           HA       THR  51   8.351  38.082   8.377
  432    HB   THR  51           HB       THR  51   9.414  39.693   6.956
  433    HG1  THR  51           1HG      THR  51  10.062  38.414   5.247
  434   1HG2  THR  51          1HG2      THR  51  10.883  38.429   9.059
  435   2HG2  THR  51          2HG2      THR  51  10.849  40.125   8.575
  436   3HG2  THR  51          3HG2      THR  51  11.987  39.012   7.814
  437    H    SER  52           H        SER  52   6.612  36.805   7.642
  438    HA   SER  52           HA       SER  52   6.157  37.029   4.780
  439   1HB   SER  52          2HB       SER  52   7.082  34.829   4.816
  440   2HB   SER  52          1HB       SER  52   6.154  34.389   6.250
  441    HG   SER  52           HG       SER  52   4.676  33.729   4.929
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1   0.411 -26.114 -15.666
    2    HA   MET   1           HA       MET   1   0.731 -28.510 -14.180
    3   1HB   MET   1          2HB       MET   1   3.199 -28.173 -13.596
    4   2HB   MET   1          1HB       MET   1   2.839 -28.891 -15.160
    5   1HG   MET   1          2HG       MET   1   3.027 -26.497 -16.070
    6   2HG   MET   1          1HG       MET   1   3.821 -26.135 -14.538
    7   1HE   MET   1          1HE       MET   1   6.083 -25.499 -16.693
    8   2HE   MET   1          2HE       MET   1   7.223 -26.391 -15.686
    9   3HE   MET   1          3HE       MET   1   5.894 -25.504 -14.940
   10    H    TRP   2           H        TRP   2   2.087 -25.211 -14.285
   11    HA   TRP   2           HA       TRP   2   2.320 -23.636 -12.632
   12   1HB   TRP   2          2HB       TRP   2  -0.240 -23.837 -13.469
   13   2HB   TRP   2          1HB       TRP   2  -0.464 -24.099 -11.743
   14    HD1  TRP   2           HD       TRP   2  -1.048 -21.923 -10.553
   15    HE1  TRP   2           1HE      TRP   2  -0.421 -19.441 -10.811
   16    HE3  TRP   2           3HE      TRP   2   2.077 -22.291 -14.583
   17    HZ2  TRP   2           2HZ      TRP   2   1.187 -17.849 -12.500
   18    HZ3  TRP   2           3HZ      TRP   2   3.118 -20.241 -15.458
   19    HH2  TRP   2           HH       TRP   2   2.681 -18.066 -14.438
   20    H    ARG   3           H        ARG   3   3.677 -25.369 -11.475
   21    HA   ARG   3           HA       ARG   3   4.335 -26.401  -9.553
   22   1HB   ARG   3          2HB       ARG   3   2.402 -24.632  -8.080
   23   2HB   ARG   3          1HB       ARG   3   3.987 -25.197  -7.566
   24   1HG   ARG   3          2HG       ARG   3   3.607 -23.313  -9.874
   25   2HG   ARG   3          1HG       ARG   3   3.813 -22.764  -8.210
   26   1HD   ARG   3          2HD       ARG   3   5.881 -24.498  -8.438
   27   2HD   ARG   3          1HD       ARG   3   5.771 -23.898 -10.091
   28    HE   ARG   3           HE       ARG   3   6.802 -22.502  -7.864
   29   1HH1  ARG   3          1HH1      ARG   3   4.876 -22.011 -10.731
   30   2HH1  ARG   3          2HH1      ARG   3   5.314 -20.344 -10.893
   31   1HH2  ARG   3          1HH2      ARG   3   7.379 -20.309  -8.074
   32   2HH2  ARG   3          2HH2      ARG   3   6.735 -19.377  -9.384
   33    H    ILE   4           H        ILE   4   1.900 -27.406 -10.950
   34    HA   ILE   4           HA       ILE   4   0.148 -28.850 -10.652
   35    HB   ILE   4           HB       ILE   4   1.764 -30.002  -8.392
   36   1HG1  ILE   4          2HG1      ILE   4   3.345 -29.498 -10.184
   37   2HG1  ILE   4          1HG1      ILE   4   3.076 -31.235 -10.084
   38   1HG2  ILE   4          1HG2      ILE   4   0.652 -31.941  -8.779
   39   2HG2  ILE   4          2HG2      ILE   4   0.503 -31.641 -10.510
   40   3HG2  ILE   4          3HG2      ILE   4  -0.573 -30.822  -9.378
   41   1HD1  ILE   4          1HD1      ILE   4   3.126 -30.033 -12.390
   42   2HD1  ILE   4          2HD1      ILE   4   1.459 -29.620 -11.990
   43   3HD1  ILE   4          3HD1      ILE   4   1.951 -31.310 -12.079
   44    H    TRP   5           H        TRP   5  -0.011 -26.388  -9.094
   45    HA   TRP   5           HA       TRP   5  -0.954 -25.486  -7.182
   46   1HB   TRP   5          2HB       TRP   5  -3.068 -27.401  -8.187
   47   2HB   TRP   5          1HB       TRP   5  -3.368 -26.053  -7.095
   48    HD1  TRP   5           HD       TRP   5  -1.602 -26.365 -10.553
   49    HE1  TRP   5           1HE      TRP   5  -2.447 -24.439 -12.037
   50    HE3  TRP   5           3HE      TRP   5  -4.805 -24.137  -7.249
   51    HZ2  TRP   5           2HZ      TRP   5  -4.234 -22.264 -11.834
   52    HZ3  TRP   5           3HZ      TRP   5  -6.044 -22.138  -7.973
   53    HH2  TRP   5           HH       TRP   5  -5.762 -21.221 -10.217
   54    H    GLN   6           H        GLN   6   0.785 -27.232  -6.162
   55    HA   GLN   6           HA       GLN   6  -0.391 -27.963  -3.696
   56   1HB   GLN   6          2HB       GLN   6  -0.205 -30.372  -3.788
   57   2HB   GLN   6          1HB       GLN   6  -1.271 -29.816  -5.071
   58   1HG   GLN   6          2HG       GLN   6   0.943 -29.876  -6.485
   59   2HG   GLN   6          1HG       GLN   6   1.439 -31.021  -5.239
   60   1HE2  GLN   6          1HE2      GLN   6   1.356 -32.920  -6.254
   61   2HE2  GLN   6          2HE2      GLN   6  -0.035 -33.565  -7.049
   62    H    LEU   7           H        LEU   7   2.310 -28.163  -5.914
   63    HA   LEU   7           HA       LEU   7   4.184 -28.948  -3.871
   64   1HB   LEU   7          2HB       LEU   7   4.503 -28.062  -6.731
   65   2HB   LEU   7          1HB       LEU   7   5.873 -28.414  -5.694
   66    HG   LEU   7           HG       LEU   7   3.725 -30.465  -6.117
   67   1HD1  LEU   7          1HD1      LEU   7   4.550 -29.635  -8.332
   68   2HD1  LEU   7          2HD1      LEU   7   4.854 -31.343  -8.017
   69   3HD1  LEU   7          3HD1      LEU   7   6.162 -30.170  -7.858
   70   1HD2  LEU   7          1HD2      LEU   7   6.471 -30.355  -5.021
   71   2HD2  LEU   7          2HD2      LEU   7   6.025 -31.806  -5.919
   72   3HD2  LEU   7          3HD2      LEU   7   5.081 -31.315  -4.512
   73    H    PHE   8           H        PHE   8   3.599 -25.993  -5.775
   74    HA   PHE   8           HA       PHE   8   5.236 -24.502  -3.845
   75   1HB   PHE   8          2HB       PHE   8   5.478 -24.435  -6.488
   76   2HB   PHE   8          1HB       PHE   8   4.198 -23.235  -6.338
   77    HD1  PHE   8           1HD      PHE   8   4.605 -21.101  -5.297
   78    HD2  PHE   8           2HD      PHE   8   7.693 -24.015  -5.598
   79    HE1  PHE   8           1HE      PHE   8   6.276 -19.383  -4.741
   80    HE2  PHE   8           2HE      PHE   8   9.369 -22.302  -5.041
   81    HZ   PHE   8           HZ       PHE   8   8.662 -19.982  -4.613
   82    H    ASP   9           H        ASP   9   2.062 -24.576  -5.378
   83    HA   ASP   9           HA       ASP   9   0.033 -23.861  -4.602
   84   1HB   ASP   9          2HB       ASP   9   1.408 -24.059  -2.266
   85   2HB   ASP   9          1HB       ASP   9   1.049 -22.336  -2.286
   86    HA   PRO  10           HA       PRO  10   1.443 -19.857  -6.606
   87   1HB   PRO  10          2HB       PRO  10  -0.799 -20.645  -8.380
   88   2HB   PRO  10          1HB       PRO  10   0.810 -20.050  -8.797
   89   1HG   PRO  10          2HG       PRO  10   0.173 -22.618  -9.128
   90   2HG   PRO  10          1HG       PRO  10   1.787 -22.139  -8.570
   91   1HD   PRO  10          2HD       PRO  10  -0.512 -23.242  -7.006
   92   2HD   PRO  10          1HD       PRO  10   1.225 -23.575  -6.848
   93    H    ARG  11           H        ARG  11  -1.799 -21.158  -5.986
   94    HA   ARG  11           HA       ARG  11  -3.247 -18.796  -6.068
   95   1HB   ARG  11          2HB       ARG  11  -4.661 -20.048  -4.208
   96   2HB   ARG  11          1HB       ARG  11  -4.659 -20.580  -5.882
   97   1HG   ARG  11          2HG       ARG  11  -3.663 -22.523  -5.394
   98   2HG   ARG  11          1HG       ARG  11  -2.558 -21.785  -4.235
   99   1HD   ARG  11          2HD       ARG  11  -5.454 -22.478  -3.749
  100   2HD   ARG  11          1HD       ARG  11  -4.057 -23.357  -3.131
  101    HE   ARG  11           HE       ARG  11  -4.111 -20.581  -2.381
  102   1HH1  ARG  11          1HH1      ARG  11  -5.180 -23.796  -1.544
  103   2HH1  ARG  11          2HH1      ARG  11  -5.383 -23.426   0.135
  104   1HH2  ARG  11          1HH2      ARG  11  -4.379 -20.093  -0.173
  105   2HH2  ARG  11          2HH2      ARG  11  -4.930 -21.324   0.913
  106    H    GLN  12           H        GLN  12  -2.187 -20.360  -3.036
  107    HA   GLN  12           HA       GLN  12  -2.718 -18.181  -1.384
  108   1HB   GLN  12          2HB       GLN  12  -1.186 -19.269   0.225
  109   2HB   GLN  12          1HB       GLN  12  -2.366 -20.374  -0.464
  110   1HG   GLN  12          2HG       GLN  12  -0.530 -21.673  -0.637
  111   2HG   GLN  12          1HG       GLN  12  -0.394 -20.815  -2.171
  112   1HE2  GLN  12          1HE2      GLN  12   1.682 -20.473  -2.533
  113   2HE2  GLN  12          2HE2      GLN  12   2.819 -19.844  -1.396
  114    H    ALA  13           H        ALA  13   0.287 -19.128  -2.980
  115    HA   ALA  13           HA       ALA  13   1.937 -17.156  -1.882
  116   1HB   ALA  13          1HB       ALA  13   3.265 -18.641  -2.917
  117   2HB   ALA  13          2HB       ALA  13   3.080 -17.562  -4.299
  118   3HB   ALA  13          3HB       ALA  13   2.070 -19.002  -4.163
  119    H    LEU  14           H        LEU  14  -0.209 -17.049  -4.683
  120    HA   LEU  14           HA       LEU  14   0.760 -14.533  -5.620
  121   1HB   LEU  14          2HB       LEU  14  -0.733 -14.712  -7.330
  122   2HB   LEU  14          1HB       LEU  14  -0.610 -16.394  -6.866
  123    HG   LEU  14           HG       LEU  14  -2.708 -15.749  -5.358
  124   1HD1  LEU  14          1HD1      LEU  14  -3.146 -13.553  -5.751
  125   2HD1  LEU  14          2HD1      LEU  14  -4.095 -14.265  -7.054
  126   3HD1  LEU  14          3HD1      LEU  14  -2.496 -13.601  -7.389
  127   1HD2  LEU  14          1HD2      LEU  14  -2.351 -17.346  -7.425
  128   2HD2  LEU  14          2HD2      LEU  14  -3.302 -16.109  -8.248
  129   3HD2  LEU  14          3HD2      LEU  14  -3.967 -16.944  -6.843
  130    H    VAL  15           H        VAL  15  -1.955 -15.518  -3.582
  131    HA   VAL  15           HA       VAL  15  -3.046 -12.899  -3.347
  132    HB   VAL  15           HB       VAL  15  -4.421 -14.865  -2.900
  133   1HG1  VAL  15          1HG1      VAL  15  -2.828 -16.371  -1.966
  134   2HG1  VAL  15          2HG1      VAL  15  -4.093 -16.114  -0.765
  135   3HG1  VAL  15          3HG1      VAL  15  -2.536 -15.303  -0.594
  136   1HG2  VAL  15          1HG2      VAL  15  -4.656 -12.566  -1.665
  137   2HG2  VAL  15          2HG2      VAL  15  -4.240 -13.522  -0.243
  138   3HG2  VAL  15          3HG2      VAL  15  -5.661 -13.938  -1.200
  139    H    GLY  16           H        GLY  16  -0.486 -14.626  -1.757
  140   1HA   GLY  16          2HA       GLY  16  -0.372 -12.952   0.567
  141   2HA   GLY  16          1HA       GLY  16   0.857 -14.096   0.042
  142    H    LEU  17           H        LEU  17   1.712 -13.266  -2.304
  143    HA   LEU  17           HA       LEU  17   3.324 -11.044  -1.709
  144   1HB   LEU  17          2HB       LEU  17   3.934 -11.170  -4.127
  145   2HB   LEU  17          1HB       LEU  17   4.118 -12.670  -3.240
  146    HG   LEU  17           HG       LEU  17   1.653 -13.063  -4.207
  147   1HD1  LEU  17          1HD1      LEU  17   1.102 -11.914  -6.043
  148   2HD1  LEU  17          2HD1      LEU  17   2.756 -11.900  -6.653
  149   3HD1  LEU  17          3HD1      LEU  17   2.252 -10.719  -5.445
  150   1HD2  LEU  17          1HD2      LEU  17   2.672 -14.433  -5.915
  151   2HD2  LEU  17          2HD2      LEU  17   3.630 -14.523  -4.438
  152   3HD2  LEU  17          3HD2      LEU  17   4.179 -13.527  -5.785
  153    H    ALA  18           H        ALA  18   0.540 -11.393  -3.880
  154    HA   ALA  18           HA       ALA  18   0.463  -8.768  -4.828
  155   1HB   ALA  18          1HB       ALA  18  -1.733  -9.247  -5.607
  156   2HB   ALA  18          2HB       ALA  18  -1.938 -10.538  -4.423
  157   3HB   ALA  18          3HB       ALA  18  -0.790 -10.731  -5.748
  158    H    THR  19           H        THR  19  -1.251 -10.221  -2.062
  159    HA   THR  19           HA       THR  19  -2.632  -7.863  -1.341
  160    HB   THR  19           HB       THR  19  -1.911 -10.297   0.299
  161    HG1  THR  19           1HG      THR  19  -4.013 -10.915  -0.187
  162   1HG2  THR  19          1HG2      THR  19  -2.443  -8.711   1.928
  163   2HG2  THR  19          2HG2      THR  19  -3.946  -9.589   1.646
  164   3HG2  THR  19          3HG2      THR  19  -3.712  -7.990   0.939
  165    H    PHE  20           H        PHE  20   0.315  -9.344   0.006
  166    HA   PHE  20           HA       PHE  20   0.822  -7.401   1.950
  167   1HB   PHE  20          2HB       PHE  20   1.935  -9.610   1.859
  168   2HB   PHE  20          1HB       PHE  20   2.843  -9.077   0.448
  169    HD1  PHE  20           1HD      PHE  20   2.365  -8.606   4.065
  170    HD2  PHE  20           2HD      PHE  20   4.741  -7.661   0.663
  171    HE1  PHE  20           1HE      PHE  20   4.107  -7.690   5.541
  172    HE2  PHE  20           2HE      PHE  20   6.488  -6.744   2.133
  173    HZ   PHE  20           HZ       PHE  20   6.171  -6.757   4.576
  174    H    LEU  21           H        LEU  21   1.939  -7.613  -1.414
  175    HA   LEU  21           HA       LEU  21   3.559  -5.306  -1.324
  176   1HB   LEU  21          2HB       LEU  21   4.032  -6.804  -3.047
  177   2HB   LEU  21          1HB       LEU  21   2.347  -6.980  -3.490
  178    HG   LEU  21           HG       LEU  21   3.904  -5.710  -5.080
  179   1HD1  LEU  21          1HD1      LEU  21   1.262  -5.722  -4.800
  180   2HD1  LEU  21          2HD1      LEU  21   2.084  -4.712  -5.989
  181   3HD1  LEU  21          3HD1      LEU  21   1.558  -4.018  -4.455
  182   1HD2  LEU  21          1HD2      LEU  21   3.277  -3.259  -3.558
  183   2HD2  LEU  21          2HD2      LEU  21   4.666  -3.641  -4.575
  184   3HD2  LEU  21          3HD2      LEU  21   4.581  -4.264  -2.927
  185    H    PHE  22           H        PHE  22   0.321  -5.846  -2.703
  186    HA   PHE  22           HA       PHE  22  -0.232  -3.262  -3.509
  187   1HB   PHE  22          2HB       PHE  22  -1.620  -5.224  -4.065
  188   2HB   PHE  22          1HB       PHE  22  -2.196  -5.276  -2.403
  189    HD1  PHE  22           1HD      PHE  22  -4.205  -4.275  -1.926
  190    HD2  PHE  22           2HD      PHE  22  -1.946  -2.882  -5.252
  191    HE1  PHE  22           1HE      PHE  22  -6.026  -2.727  -2.509
  192    HE2  PHE  22           2HE      PHE  22  -3.763  -1.330  -5.841
  193    HZ   PHE  22           HZ       PHE  22  -5.806  -1.251  -4.469
  194    H    VAL  23           H        VAL  23  -0.952  -4.746  -0.347
  195    HA   VAL  23           HA       VAL  23  -2.210  -2.493   0.756
  196    HB   VAL  23           HB       VAL  23  -1.915  -3.557   2.908
  197   1HG1  VAL  23          1HG1      VAL  23  -3.711  -4.570   1.944
  198   2HG1  VAL  23          2HG1      VAL  23  -2.661  -5.976   2.119
  199   3HG1  VAL  23          3HG1      VAL  23  -2.779  -5.151   0.565
  200   1HG2  VAL  23          1HG2      VAL  23   0.318  -4.310   2.903
  201   2HG2  VAL  23          2HG2      VAL  23   0.057  -5.295   1.467
  202   3HG2  VAL  23          3HG2      VAL  23  -0.677  -5.763   2.998
  203    H    LEU  24           H        LEU  24   1.144  -3.640   1.069
  204    HA   LEU  24           HA       LEU  24   2.075  -1.640   2.762
  205   1HB   LEU  24          2HB       LEU  24   3.176  -3.833   1.880
  206   2HB   LEU  24          1HB       LEU  24   3.788  -2.802   0.599
  207    HG   LEU  24           HG       LEU  24   5.436  -3.069   2.368
  208   1HD1  LEU  24          1HD1      LEU  24   5.088  -0.894   1.073
  209   2HD1  LEU  24          2HD1      LEU  24   6.055  -0.821   2.547
  210   3HD1  LEU  24          3HD1      LEU  24   4.380  -0.269   2.563
  211   1HD2  LEU  24          1HD2      LEU  24   3.481  -3.263   4.113
  212   2HD2  LEU  24          2HD2      LEU  24   3.740  -1.526   4.267
  213   3HD2  LEU  24          3HD2      LEU  24   5.063  -2.645   4.591
  214    H    ALA  25           H        ALA  25   2.444  -1.836  -0.771
  215    HA   ALA  25           HA       ALA  25   3.576   0.675  -1.152
  216   1HB   ALA  25          1HB       ALA  25   2.411   0.366  -3.507
  217   2HB   ALA  25          2HB       ALA  25   2.161  -1.267  -2.892
  218   3HB   ALA  25          3HB       ALA  25   3.794  -0.612  -3.016
  219    H    LEU  26           H        LEU  26   0.135  -0.260  -1.444
  220    HA   LEU  26           HA       LEU  26  -0.787   2.310  -2.097
  221   1HB   LEU  26          2HB       LEU  26  -2.916   1.465  -1.943
  222   2HB   LEU  26          1HB       LEU  26  -1.987   0.003  -2.200
  223    HG   LEU  26           HG       LEU  26  -2.013  -0.161   0.407
  224   1HD1  LEU  26          1HD1      LEU  26  -4.436   0.742   1.026
  225   2HD1  LEU  26          2HD1      LEU  26  -4.003   1.958  -0.174
  226   3HD1  LEU  26          3HD1      LEU  26  -2.984   1.717   1.244
  227   1HD2  LEU  26          1HD2      LEU  26  -4.264  -1.296   0.254
  228   2HD2  LEU  26          2HD2      LEU  26  -3.055  -1.829  -0.912
  229   3HD2  LEU  26          3HD2      LEU  26  -4.339  -0.732  -1.415
  230    H    LEU  27           H        LEU  27  -0.239   0.749   1.012
  231    HA   LEU  27           HA       LEU  27  -1.508   2.626   2.657
  232   1HB   LEU  27          2HB       LEU  27   0.543   0.530   2.988
  233   2HB   LEU  27          1HB       LEU  27   0.567   1.793   4.200
  234   1HD1  LEU  27          1HD1      LEU  27  -2.683  -0.760   3.498
  235   2HD1  LEU  27          2HD1      LEU  27  -2.032   0.344   2.288
  236   3HD1  LEU  27          3HD1      LEU  27  -3.161   0.937   3.504
  237   1HD2  LEU  27          1HD2      LEU  27   0.301  -0.480   5.359
  238   2HD2  LEU  27          2HD2      LEU  27  -0.558  -1.467   4.178
  239   3HD2  LEU  27          3HD2      LEU  27  -1.355  -0.996   5.680
  240    H    ILE  28           H        ILE  28   1.955   2.382   1.817
  241    HA   ILE  28           HA       ILE  28   2.694   4.821   3.018
  242    HB   ILE  28           HB       ILE  28   4.074   3.495   0.683
  243   1HG1  ILE  28          2HG1      ILE  28   3.764   1.838   2.420
  244   2HG1  ILE  28          1HG1      ILE  28   5.447   2.353   2.423
  245   1HG2  ILE  28          1HG2      ILE  28   5.657   4.820   2.757
  246   2HG2  ILE  28          2HG2      ILE  28   4.606   5.903   1.845
  247   3HG2  ILE  28          3HG2      ILE  28   5.788   4.903   1.000
  248   1HD1  ILE  28          1HD1      ILE  28   3.385   2.622   4.481
  249   2HD1  ILE  28          2HD1      ILE  28   4.374   4.060   4.231
  250   3HD1  ILE  28          3HD1      ILE  28   5.139   2.522   4.629
  251    H    HIS  29           H        HIS  29   1.328   4.044  -0.086
  252    HA   HIS  29           HA       HIS  29   2.000   6.390  -1.480
  253   1HB   HIS  29          2HB       HIS  29   0.841   4.122  -2.236
  254   2HB   HIS  29          1HB       HIS  29  -0.622   5.070  -1.999
  255    HD1  HIS  29           1HD      HIS  29  -1.370   6.248  -4.031
  256    HD2  HIS  29           2HD      HIS  29   2.743   5.654  -4.025
  257    HE1  HIS  29           1HE      HIS  29  -0.554   7.171  -6.223
  258    HE2  HIS  29           2HE      HIS  29   1.948   6.881  -6.159
  259    H    PHE  30           H        PHE  30  -1.189   5.578  -0.098
  260    HA   PHE  30           HA       PHE  30  -2.202   8.179  -0.308
  261   1HB   PHE  30          2HB       PHE  30  -4.126   7.354   0.630
  262   2HB   PHE  30          1HB       PHE  30  -3.372   5.845   0.134
  263    HD1  PHE  30           1HD      PHE  30  -4.664   7.758   2.863
  264    HD2  PHE  30           2HD      PHE  30  -2.087   4.521   1.871
  265    HE1  PHE  30           1HE      PHE  30  -4.802   6.942   5.181
  266    HE2  PHE  30           2HE      PHE  30  -2.220   3.698   4.184
  267    HZ   PHE  30           HZ       PHE  30  -3.579   4.910   5.844
  268    H    ILE  31           H        ILE  31  -0.338   6.634   2.236
  269    HA   ILE  31           HA       ILE  31  -0.892   8.599   4.211
  270    HB   ILE  31           HB       ILE  31   0.235   6.169   4.366
  271   1HG1  ILE  31          2HG1      ILE  31   1.093   6.991   6.675
  272   2HG1  ILE  31          1HG1      ILE  31   0.414   8.542   6.194
  273   1HG2  ILE  31          1HG2      ILE  31   2.329   6.772   3.328
  274   2HG2  ILE  31          2HG2      ILE  31   2.595   6.396   5.028
  275   3HG2  ILE  31          3HG2      ILE  31   2.567   8.075   4.492
  276   1HD1  ILE  31          1HD1      ILE  31  -1.028   5.940   6.591
  277   2HD1  ILE  31          2HD1      ILE  31  -1.761   7.344   5.814
  278   3HD1  ILE  31          3HD1      ILE  31  -1.222   7.444   7.490
  279    H    LEU  32           H        LEU  32   1.923   8.110   2.060
  280    HA   LEU  32           HA       LEU  32   3.271  10.447   2.888
  281   1HB   LEU  32          2HB       LEU  32   4.786  10.055   1.154
  282   2HB   LEU  32          1HB       LEU  32   4.220   8.458   1.598
  283    HG   LEU  32           HG       LEU  32   2.526   8.831  -0.372
  284   1HD1  LEU  32          1HD1      LEU  32   2.884  10.510  -1.792
  285   2HD1  LEU  32          2HD1      LEU  32   4.629  10.255  -1.786
  286   3HD1  LEU  32          3HD1      LEU  32   3.876  11.225  -0.520
  287   1HD2  LEU  32          1HD2      LEU  32   3.855   7.041  -0.751
  288   2HD2  LEU  32          2HD2      LEU  32   5.330   7.908  -0.325
  289   3HD2  LEU  32          3HD2      LEU  32   4.600   8.138  -1.914
  290    H    LEU  33           H        LEU  33   0.984   9.786   0.289
  291    HA   LEU  33           HA       LEU  33   1.087  12.289  -0.982
  292   1HB   LEU  33          2HB       LEU  33  -1.197  10.327  -0.710
  293   2HB   LEU  33          1HB       LEU  33  -1.193  11.698  -1.806
  294    HG   LEU  33           HG       LEU  33   1.018   9.710  -1.977
  295   1HD1  LEU  33          1HD1      LEU  33  -1.203   9.130  -3.766
  296   2HD1  LEU  33          2HD1      LEU  33  -1.596   8.848  -2.071
  297   3HD1  LEU  33          3HD1      LEU  33  -0.210   8.038  -2.802
  298   1HD2  LEU  33          1HD2      LEU  33   0.552  11.994  -3.300
  299   2HD2  LEU  33          2HD2      LEU  33  -0.320  10.868  -4.341
  300   3HD2  LEU  33          3HD2      LEU  33   1.395  10.618  -4.013
  301    H    SER  34           H        SER  34  -1.292  11.047   1.350
  302    HA   SER  34           HA       SER  34  -2.580  13.489   1.821
  303   1HB   SER  34          2HB       SER  34  -3.244  11.048   2.498
  304   2HB   SER  34          1HB       SER  34  -2.339  11.406   3.969
  305    HG   SER  34           HG       SER  34  -4.201  12.224   4.552
  306    H    THR  35           H        THR  35   0.388  12.128   3.051
  307    HA   THR  35           HA       THR  35   0.647  13.783   5.342
  308    HB   THR  35           HB       THR  35   2.616  12.234   3.671
  309    HG1  THR  35           1HG      THR  35   1.969  10.784   5.021
  310   1HG2  THR  35          1HG2      THR  35   4.045  13.921   4.422
  311   2HG2  THR  35          2HG2      THR  35   4.221  12.626   5.605
  312   3HG2  THR  35          3HG2      THR  35   3.232  14.037   5.983
  313    H    GLU  36           H        GLU  36   2.049  14.055   2.078
  314    HA   GLU  36           HA       GLU  36   3.301  16.538   2.492
  315   1HB   GLU  36          2HB       GLU  36   3.349  14.729   0.494
  316   2HB   GLU  36          1HB       GLU  36   2.283  15.928  -0.225
  317   1HG   GLU  36          2HG       GLU  36   3.947  17.623  -0.049
  318   2HG   GLU  36          1HG       GLU  36   4.990  16.575   0.912
  319    H    ARG  37           H        ARG  37   0.120  15.704   1.164
  320    HA   ARG  37           HA       ARG  37  -0.670  18.347   0.564
  321   1HB   ARG  37          2HB       ARG  37  -1.982  15.708   0.775
  322   2HB   ARG  37          1HB       ARG  37  -3.036  17.095   1.021
  323   1HG   ARG  37          2HG       ARG  37  -1.323  16.549  -1.394
  324   2HG   ARG  37          1HG       ARG  37  -3.081  16.422  -1.291
  325   1HD   ARG  37          2HD       ARG  37  -3.011  18.897  -0.603
  326   2HD   ARG  37          1HD       ARG  37  -1.364  18.881  -1.229
  327    HE   ARG  37           HE       ARG  37  -3.768  18.934  -2.751
  328   1HH1  ARG  37          1HH1      ARG  37  -0.488  17.744  -2.767
  329   2HH1  ARG  37          2HH1      ARG  37  -0.380  17.698  -4.494
  330   1HH2  ARG  37          1HH2      ARG  37  -3.629  18.875  -5.024
  331   2HH2  ARG  37          2HH2      ARG  37  -2.162  18.341  -5.776
  332    H    PHE  38           H        PHE  38  -0.891  16.369   3.458
  333    HA   PHE  38           HA       PHE  38  -2.638  17.991   4.940
  334   1HB   PHE  38          2HB       PHE  38  -0.725  15.822   5.526
  335   2HB   PHE  38          1HB       PHE  38  -1.041  16.914   6.868
  336    HD1  PHE  38           1HD      PHE  38  -2.347  15.682   8.332
  337    HD2  PHE  38           2HD      PHE  38  -3.347  15.751   4.196
  338    HE1  PHE  38           1HE      PHE  38  -4.439  14.482   8.822
  339    HE2  PHE  38           2HE      PHE  38  -5.440  14.551   4.678
  340    HZ   PHE  38           HZ       PHE  38  -5.989  13.915   6.993
  341    H    ASN  39           H        ASN  39   0.900  17.744   5.378
  342    HA   ASN  39           HA       ASN  39   1.139  20.074   6.909
  343   1HB   ASN  39          2HB       ASN  39   3.089  18.486   5.265
  344   2HB   ASN  39          1HB       ASN  39   3.588  19.967   6.074
  345   1HD2  ASN  39          1HD2      ASN  39   2.188  16.784   6.591
  346   2HD2  ASN  39          2HD2      ASN  39   2.729  16.609   8.223
  347    H    TRP  40           H        TRP  40   0.646  19.680   3.560
  348    HA   TRP  40           HA       TRP  40   1.871  22.052   2.598
  349   1HB   TRP  40          2HB       TRP  40   1.347  20.253   1.052
  350   2HB   TRP  40          1HB       TRP  40  -0.365  20.371   1.440
  351    HD1  TRP  40           HD       TRP  40  -1.782  22.018   0.026
  352    HE1  TRP  40           1HE      TRP  40  -1.260  23.702  -1.848
  353    HE3  TRP  40           3HE      TRP  40   3.324  21.958   0.275
  354    HZ2  TRP  40           2HZ      TRP  40   1.014  24.853  -3.061
  355    HZ3  TRP  40           3HZ      TRP  40   4.598  23.379  -1.277
  356    HH2  TRP  40           HH       TRP  40   3.465  24.796  -2.911
  357    H    LEU  41           H        LEU  41  -1.616  21.363   2.604
  358    HA   LEU  41           HA       LEU  41  -2.311  24.097   2.717
  359   1HB   LEU  41          2HB       LEU  41  -4.479  23.410   2.592
  360   2HB   LEU  41          1HB       LEU  41  -3.699  21.945   2.040
  361    HG   LEU  41           HG       LEU  41  -5.360  21.224   3.522
  362   1HD1  LEU  41          1HD1      LEU  41  -4.110  19.851   4.740
  363   2HD1  LEU  41          2HD1      LEU  41  -3.385  21.175   5.650
  364   3HD1  LEU  41          3HD1      LEU  41  -2.725  20.720   4.080
  365   1HD2  LEU  41          1HD2      LEU  41  -5.326  23.712   4.560
  366   2HD2  LEU  41          2HD2      LEU  41  -4.562  22.808   5.867
  367   3HD2  LEU  41          3HD2      LEU  41  -6.165  22.346   5.297
  368    H    GLU  42           H        GLU  42  -1.153  21.933   5.048
  369    HA   GLU  42           HA       GLU  42  -2.403  22.860   7.360
  370   1HB   GLU  42          2HB       GLU  42  -1.144  20.811   7.422
  371   2HB   GLU  42          1HB       GLU  42   0.326  21.662   6.975
  372   1HG   GLU  42          2HG       GLU  42   0.740  22.307   9.073
  373   2HG   GLU  42          1HG       GLU  42  -0.956  22.665   9.403
  374    H    GLY  43           H        GLY  43   0.888  23.588   6.213
  375   1HA   GLY  43          2HA       GLY  43   1.901  25.698   6.069
  376   2HA   GLY  43          1HA       GLY  43   0.539  26.388   6.941
  377    H    ALA  44           H        ALA  44   2.711  23.702   7.780
  378    HA   ALA  44           HA       ALA  44   2.944  24.519  10.478
  379   1HB   ALA  44          1HB       ALA  44   4.316  22.487   8.774
  380   2HB   ALA  44          2HB       ALA  44   3.299  22.259  10.197
  381   3HB   ALA  44          3HB       ALA  44   4.949  22.857  10.378
  382    H    SER  45           H        SER  45   5.168  24.768   7.716
  383    HA   SER  45           HA       SER  45   7.197  26.118   9.196
  384   1HB   SER  45          2HB       SER  45   7.189  24.819   6.826
  385   2HB   SER  45          1HB       SER  45   7.101  26.486   6.257
  386    H    THR  46           H        THR  46   4.430  27.128   7.315
  387    HA   THR  46           HA       THR  46   5.230  29.919   7.365
  388    HB   THR  46           HB       THR  46   3.117  30.309   6.152
  389    HG1  THR  46           1HG      THR  46   1.771  28.614   5.678
  390   1HG2  THR  46          1HG2      THR  46   5.067  28.309   5.175
  391   2HG2  THR  46          2HG2      THR  46   4.647  29.898   4.534
  392   3HG2  THR  46          3HG2      THR  46   3.575  28.525   4.259
  393    H    LYS  47           H        LYS  47   2.105  28.433   8.188
  394    HA   LYS  47           HA       LYS  47   0.740  28.657  10.001
  395   1HB   LYS  47          2HB       LYS  47   3.280  28.820  11.113
  396   2HB   LYS  47          1HB       LYS  47   2.470  30.259  11.717
  397   1HG   LYS  47          2HG       LYS  47   1.031  29.080  13.002
  398   2HG   LYS  47          1HG       LYS  47   0.957  27.726  11.872
  399   1HD   LYS  47          2HD       LYS  47   3.295  27.138  12.578
  400   2HD   LYS  47          1HD       LYS  47   3.147  28.360  13.843
  401   1HE   LYS  47          2HE       LYS  47   1.594  27.144  15.025
  402   2HE   LYS  47          1HE       LYS  47   1.034  26.272  13.598
  403   1HZ   LYS  47          1HZ       LYS  47   2.236  24.739  14.893
  404   2HZ   LYS  47          2HZ       LYS  47   3.517  25.813  15.146
  405   3HZ   LYS  47          3HZ       LYS  47   3.265  25.147  13.612
  406    HA   PRO  48           HA       PRO  48  -0.987  32.654   9.267
  407   1HB   PRO  48          2HB       PRO  48  -2.837  32.762  11.245
  408   2HB   PRO  48          1HB       PRO  48  -3.018  31.728   9.823
  409   1HG   PRO  48          2HG       PRO  48  -2.080  31.016  12.575
  410   2HG   PRO  48          1HG       PRO  48  -3.194  30.137  11.511
  411   1HD   PRO  48          2HD       PRO  48  -0.587  29.449  11.791
  412   2HD   PRO  48          1HD       PRO  48  -1.483  29.213  10.276
  413    H    VAL  49           H        VAL  49  -0.287  34.633   9.741
  414    HA   VAL  49           HA       VAL  49   0.590  36.418  10.834
  415    HB   VAL  49           HB       VAL  49  -0.590  35.053  13.254
  416   1HG1  VAL  49          1HG1      VAL  49   0.743  37.710  12.911
  417   2HG1  VAL  49          2HG1      VAL  49   0.928  36.525  14.204
  418   3HG1  VAL  49          3HG1      VAL  49  -0.536  37.503  14.108
  419   1HG2  VAL  49          1HG2      VAL  49  -2.351  36.817  12.967
  420   2HG2  VAL  49          2HG2      VAL  49  -2.311  35.587  11.703
  421   3HG2  VAL  49          3HG2      VAL  49  -1.628  37.185  11.401
  422    H    GLN  50           H        GLN  50   1.051  34.041  13.438
  423    HA   GLN  50           HA       GLN  50   2.928  33.069  14.301
  424   1HB   GLN  50          2HB       GLN  50   3.578  33.078  11.726
  425   2HB   GLN  50          1HB       GLN  50   4.733  34.290  12.263
  426   1HG   GLN  50          2HG       GLN  50   5.263  32.466  14.094
  427   2HG   GLN  50          1HG       GLN  50   4.604  31.388  12.864
  428   1HE2  GLN  50          1HE2      GLN  50   7.196  31.137  13.656
  429   2HE2  GLN  50          2HE2      GLN  50   8.254  31.636  12.385
  430    H    THR  51           H        THR  51   4.722  33.664  15.629
  431    HA   THR  51           HA       THR  51   4.543  36.387  16.551
  432    HB   THR  51           HB       THR  51   6.499  34.319  17.537
  433    HG1  THR  51           1HG      THR  51   4.884  33.549  18.876
  434   1HG2  THR  51          1HG2      THR  51   6.374  36.793  18.364
  435   2HG2  THR  51          2HG2      THR  51   6.575  35.466  19.509
  436   3HG2  THR  51          3HG2      THR  51   4.987  36.196  19.275
  437    H    SER  52           H        SER  52   7.364  34.364  15.720
  438    HA   SER  52           HA       SER  52   8.875  36.766  15.072
  439   1HB   SER  52          2HB       SER  52  10.655  34.834  14.606
  440   2HB   SER  52          1HB       SER  52  10.298  35.395  16.240
  441    HG   SER  52           HG       SER  52  10.102  33.229  16.356
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -1.856 -32.712  -3.095
    2    HA   MET   1           HA       MET   1  -4.066 -33.524  -1.513
    3   1HB   MET   1          2HB       MET   1  -2.191 -35.546  -1.675
    4   2HB   MET   1          1HB       MET   1  -1.772 -34.746  -0.165
    5   1HG   MET   1          2HG       MET   1  -4.010 -35.070   0.674
    6   2HG   MET   1          1HG       MET   1  -4.516 -35.763  -0.866
    7   1HE   MET   1          1HE       MET   1  -4.633 -37.696   2.252
    8   2HE   MET   1          2HE       MET   1  -3.766 -36.169   2.418
    9   3HE   MET   1          3HE       MET   1  -2.935 -37.694   2.727
   10    H    TRP   2           H        TRP   2  -3.007 -33.390   1.044
   11    HA   TRP   2           HA       TRP   2  -2.559 -31.803   2.618
   12   1HB   TRP   2          2HB       TRP   2  -0.201 -32.043   0.873
   13   2HB   TRP   2          1HB       TRP   2  -0.234 -30.594   1.873
   14    HD1  TRP   2           HD       TRP   2  -0.719 -31.175   4.624
   15    HE1  TRP   2           1HE      TRP   2   0.363 -33.048   6.020
   16    HE3  TRP   2           3HE      TRP   2   0.793 -34.248   0.828
   17    HZ2  TRP   2           2HZ      TRP   2   1.683 -35.503   5.571
   18    HZ3  TRP   2           3HZ      TRP   2   1.959 -36.339   1.396
   19    HH2  TRP   2           HH       TRP   2   2.394 -36.952   3.720
   20    H    ARG   3           H        ARG   3  -1.157 -30.028  -0.123
   21    HA   ARG   3           HA       ARG   3  -2.292 -27.575   0.731
   22   1HB   ARG   3          2HB       ARG   3  -1.471 -26.753  -1.522
   23   2HB   ARG   3          1HB       ARG   3  -0.253 -27.449  -0.462
   24   1HG   ARG   3          2HG       ARG   3  -1.514 -29.357  -2.297
   25   2HG   ARG   3          1HG       ARG   3  -0.574 -28.083  -3.076
   26   1HD   ARG   3          2HD       ARG   3   1.068 -28.836  -1.024
   27   2HD   ARG   3          1HD       ARG   3   0.308 -30.365  -1.466
   28    HE   ARG   3           HE       ARG   3   1.486 -30.346  -3.429
   29   1HH1  ARG   3          1HH1      ARG   3   1.618 -27.164  -2.000
   30   2HH1  ARG   3          2HH1      ARG   3   2.788 -26.569  -3.130
   31   1HH2  ARG   3          1HH2      ARG   3   3.025 -29.563  -4.916
   32   2HH2  ARG   3          2HH2      ARG   3   3.586 -27.930  -4.785
   33    H    ILE   4           H        ILE   4  -3.694 -30.165  -0.891
   34    HA   ILE   4           HA       ILE   4  -5.405 -28.697  -2.648
   35    HB   ILE   4           HB       ILE   4  -6.646 -30.750  -2.938
   36   1HG1  ILE   4          2HG1      ILE   4  -4.962 -31.986  -0.752
   37   2HG1  ILE   4          1HG1      ILE   4  -6.592 -31.379  -0.487
   38   1HG2  ILE   4          1HG2      ILE   4  -4.865 -30.988  -4.311
   39   2HG2  ILE   4          2HG2      ILE   4  -4.511 -32.332  -3.226
   40   3HG2  ILE   4          3HG2      ILE   4  -3.693 -30.784  -3.009
   41   1HD1  ILE   4          1HD1      ILE   4  -7.510 -32.996  -1.979
   42   2HD1  ILE   4          2HD1      ILE   4  -6.453 -33.829  -0.839
   43   3HD1  ILE   4          3HD1      ILE   4  -5.902 -33.515  -2.484
   44    H    TRP   5           H        TRP   5  -5.358 -29.420   0.713
   45    HA   TRP   5           HA       TRP   5  -8.135 -29.157   1.243
   46   1HB   TRP   5          2HB       TRP   5  -5.666 -29.400   2.793
   47   2HB   TRP   5          1HB       TRP   5  -6.852 -28.348   3.557
   48    HD1  TRP   5           HD       TRP   5  -7.038 -31.835   1.832
   49    HE1  TRP   5           1HE      TRP   5  -8.487 -33.362   3.314
   50    HE3  TRP   5           3HE      TRP   5  -8.162 -28.523   5.561
   51    HZ2  TRP   5           2HZ      TRP   5  -9.916 -33.186   5.741
   52    HZ3  TRP   5           3HZ      TRP   5  -9.575 -29.281   7.427
   53    HH2  TRP   5           HH       TRP   5 -10.435 -31.565   7.513
   54    H    GLN   6           H        GLN   6  -5.770 -26.941   0.279
   55    HA   GLN   6           HA       GLN   6  -6.103 -24.730  -0.306
   56   1HB   GLN   6          2HB       GLN   6  -8.639 -25.262   0.350
   57   2HB   GLN   6          1HB       GLN   6  -8.224 -24.248   1.725
   58   1HG   GLN   6          2HG       GLN   6  -8.137 -22.373   0.489
   59   2HG   GLN   6          1HG       GLN   6  -7.448 -23.196  -0.909
   60   1HE2  GLN   6          1HE2      GLN   6  -9.815 -21.320  -0.368
   61   2HE2  GLN   6          2HE2      GLN   6 -11.117 -22.064  -1.228
   62    H    LEU   7           H        LEU   7  -4.065 -24.457   0.614
   63    HA   LEU   7           HA       LEU   7  -4.066 -22.811   2.991
   64   1HB   LEU   7          2HB       LEU   7  -2.098 -24.269   3.892
   65   2HB   LEU   7          1HB       LEU   7  -3.759 -24.708   4.245
   66    HG   LEU   7           HG       LEU   7  -2.531 -25.920   1.828
   67   1HD1  LEU   7          1HD1      LEU   7  -1.770 -27.763   3.575
   68   2HD1  LEU   7          2HD1      LEU   7  -1.557 -26.340   4.596
   69   3HD1  LEU   7          3HD1      LEU   7  -0.699 -26.459   3.060
   70   1HD2  LEU   7          1HD2      LEU   7  -4.562 -26.858   2.037
   71   2HD2  LEU   7          2HD2      LEU   7  -4.685 -26.453   3.749
   72   3HD2  LEU   7          3HD2      LEU   7  -3.774 -27.874   3.242
   73    H    PHE   8           H        PHE   8  -2.140 -24.468   0.520
   74    HA   PHE   8           HA       PHE   8  -0.532 -22.023   0.265
   75   1HB   PHE   8          2HB       PHE   8   0.408 -24.797   0.769
   76   2HB   PHE   8          1HB       PHE   8   1.332 -23.838  -0.384
   77    HD1  PHE   8           1HD      PHE   8   1.191 -24.786   2.914
   78    HD2  PHE   8           2HD      PHE   8   1.708 -21.304   0.522
   79    HE1  PHE   8           1HE      PHE   8   2.361 -23.685   4.777
   80    HE2  PHE   8           2HE      PHE   8   2.880 -20.197   2.381
   81    HZ   PHE   8           HZ       PHE   8   3.207 -21.388   4.512
   82    H    ASP   9           H        ASP   9  -2.801 -22.972  -1.255
   83    HA   ASP   9           HA       ASP   9  -1.892 -24.111  -3.709
   84   1HB   ASP   9          2HB       ASP   9  -4.184 -23.315  -4.532
   85   2HB   ASP   9          1HB       ASP   9  -4.169 -24.484  -3.218
   86    HA   PRO  10           HA       PRO  10  -0.387 -20.833  -6.213
   87   1HB   PRO  10          2HB       PRO  10  -2.795 -21.166  -7.953
   88   2HB   PRO  10          1HB       PRO  10  -1.085 -21.095  -8.398
   89   1HG   PRO  10          2HG       PRO  10  -2.362 -23.425  -8.338
   90   2HG   PRO  10          1HG       PRO  10  -0.691 -23.293  -7.762
   91   1HD   PRO  10          2HD       PRO  10  -3.217 -23.559  -6.208
   92   2HD   PRO  10          1HD       PRO  10  -1.594 -24.177  -5.842
   93    H    ARG  11           H        ARG  11  -3.946 -20.671  -5.954
   94    HA   ARG  11           HA       ARG  11  -4.254 -17.950  -6.381
   95   1HB   ARG  11          2HB       ARG  11  -6.356 -18.188  -5.001
   96   2HB   ARG  11          1HB       ARG  11  -6.198 -19.311  -6.343
   97   1HG   ARG  11          2HG       ARG  11  -6.773 -20.849  -4.827
   98   2HG   ARG  11          1HG       ARG  11  -5.081 -20.748  -4.336
   99   1HD   ARG  11          2HD       ARG  11  -6.085 -20.433  -2.311
  100   2HD   ARG  11          1HD       ARG  11  -5.995 -18.760  -2.859
  101    HE   ARG  11           HE       ARG  11  -8.434 -20.095  -3.593
  102   1HH1  ARG  11          1HH1      ARG  11  -6.807 -18.265  -1.106
  103   2HH1  ARG  11          2HH1      ARG  11  -8.278 -17.695  -0.390
  104   1HH2  ARG  11          1HH2      ARG  11 -10.368 -19.345  -2.653
  105   2HH2  ARG  11          2HH2      ARG  11 -10.298 -18.307  -1.267
  106    H    GLN  12           H        GLN  12  -3.855 -19.638  -3.266
  107    HA   GLN  12           HA       GLN  12  -3.902 -17.366  -1.636
  108   1HB   GLN  12          2HB       GLN  12  -4.058 -19.733  -0.850
  109   2HB   GLN  12          1HB       GLN  12  -2.332 -19.901  -1.143
  110   1HG   GLN  12          2HG       GLN  12  -3.445 -17.803   0.689
  111   2HG   GLN  12          1HG       GLN  12  -3.074 -19.436   1.239
  112   1HE2  GLN  12          1HE2      GLN  12  -0.780 -20.067   0.078
  113   2HE2  GLN  12          2HE2      GLN  12   0.478 -18.967   0.514
  114    H    ALA  13           H        ALA  13  -1.248 -18.939  -3.344
  115    HA   ALA  13           HA       ALA  13   0.849 -17.422  -2.219
  116   1HB   ALA  13          1HB       ALA  13   1.164 -19.550  -3.431
  117   2HB   ALA  13          2HB       ALA  13   2.209 -18.260  -4.026
  118   3HB   ALA  13          3HB       ALA  13   0.772 -18.722  -4.938
  119    H    LEU  14           H        LEU  14  -1.175 -16.930  -5.079
  120    HA   LEU  14           HA       LEU  14   0.240 -14.703  -6.093
  121   1HB   LEU  14          2HB       LEU  14  -2.520 -15.796  -6.490
  122   2HB   LEU  14          1HB       LEU  14  -2.100 -14.231  -7.159
  123    HG   LEU  14           HG       LEU  14  -0.386 -16.615  -7.752
  124   1HD1  LEU  14          1HD1      LEU  14  -2.492 -15.938  -9.698
  125   2HD1  LEU  14          2HD1      LEU  14  -3.023 -16.787  -8.246
  126   3HD1  LEU  14          3HD1      LEU  14  -1.786 -17.499  -9.282
  127   1HD2  LEU  14          1HD2      LEU  14  -0.787 -13.877  -8.790
  128   2HD2  LEU  14          2HD2      LEU  14  -0.453 -15.135  -9.980
  129   3HD2  LEU  14          3HD2      LEU  14   0.684 -14.842  -8.664
  130    H    VAL  15           H        VAL  15  -2.561 -14.987  -3.942
  131    HA   VAL  15           HA       VAL  15  -2.968 -12.184  -3.681
  132    HB   VAL  15           HB       VAL  15  -4.341 -12.772  -1.699
  133   1HG1  VAL  15          1HG1      VAL  15  -5.000 -13.025  -4.238
  134   2HG1  VAL  15          2HG1      VAL  15  -6.098 -13.528  -2.952
  135   3HG1  VAL  15          3HG1      VAL  15  -5.122 -14.728  -3.799
  136   1HG2  VAL  15          1HG2      VAL  15  -2.999 -14.662  -0.908
  137   2HG2  VAL  15          2HG2      VAL  15  -3.494 -15.599  -2.317
  138   3HG2  VAL  15          3HG2      VAL  15  -4.691 -15.111  -1.119
  139    H    GLY  16           H        GLY  16  -0.751 -14.419  -2.271
  140   1HA   GLY  16          2HA       GLY  16  -0.196 -12.918   0.107
  141   2HA   GLY  16          1HA       GLY  16   0.772 -14.233  -0.547
  142    H    LEU  17           H        LEU  17   1.501 -13.360  -2.976
  143    HA   LEU  17           HA       LEU  17   3.605 -11.549  -2.424
  144   1HB   LEU  17          2HB       LEU  17   2.609 -11.926  -5.213
  145   2HB   LEU  17          1HB       LEU  17   4.257 -11.807  -4.632
  146    HG   LEU  17           HG       LEU  17   2.829 -14.191  -3.716
  147   1HD1  LEU  17          1HD1      LEU  17   2.056 -13.676  -6.145
  148   2HD1  LEU  17          2HD1      LEU  17   2.572 -15.304  -5.708
  149   3HD1  LEU  17          3HD1      LEU  17   3.675 -14.233  -6.570
  150   1HD2  LEU  17          1HD2      LEU  17   5.047 -15.112  -4.798
  151   2HD2  LEU  17          2HD2      LEU  17   5.058 -14.295  -3.236
  152   3HD2  LEU  17          3HD2      LEU  17   5.522 -13.417  -4.693
  153    H    ALA  18           H        ALA  18   0.724 -11.251  -4.421
  154    HA   ALA  18           HA       ALA  18   0.923  -8.569  -5.103
  155   1HB   ALA  18          1HB       ALA  18  -1.313  -8.674  -5.784
  156   2HB   ALA  18          2HB       ALA  18  -1.724  -9.875  -4.560
  157   3HB   ALA  18          3HB       ALA  18  -0.726 -10.329  -5.942
  158    H    THR  19           H        THR  19  -0.437 -10.014  -2.178
  159    HA   THR  19           HA       THR  19  -1.542  -7.614  -1.149
  160    HB   THR  19           HB       THR  19  -0.810 -10.260   0.081
  161    HG1  THR  19           1HG      THR  19  -2.716 -10.151  -1.128
  162   1HG2  THR  19          1HG2      THR  19  -1.911  -7.869   1.532
  163   2HG2  THR  19          2HG2      THR  19  -0.447  -8.777   1.907
  164   3HG2  THR  19          3HG2      THR  19  -2.029  -9.527   2.122
  165    H    PHE  20           H        PHE  20   1.571  -9.233  -0.679
  166    HA   PHE  20           HA       PHE  20   2.594  -7.536   1.302
  167   1HB   PHE  20          2HB       PHE  20   3.612  -9.698   0.706
  168   2HB   PHE  20          1HB       PHE  20   4.107  -9.034  -0.847
  169    HD1  PHE  20           1HD      PHE  20   5.673  -7.002  -0.803
  170    HD2  PHE  20           2HD      PHE  20   5.006  -9.536   2.550
  171    HE1  PHE  20           1HE      PHE  20   7.777  -6.220   0.202
  172    HE2  PHE  20           2HE      PHE  20   7.109  -8.757   3.562
  173    HZ   PHE  20           HZ       PHE  20   8.498  -7.097   2.388
  174    H    LEU  21           H        LEU  21   3.057  -7.427  -2.232
  175    HA   LEU  21           HA       LEU  21   4.561  -5.030  -2.208
  176   1HB   LEU  21          2HB       LEU  21   4.055  -4.949  -4.633
  177   2HB   LEU  21          1HB       LEU  21   4.699  -6.491  -4.103
  178    HG   LEU  21           HG       LEU  21   2.094  -7.069  -3.935
  179   1HD1  LEU  21          1HD1      LEU  21   0.703  -5.859  -5.223
  180   2HD1  LEU  21          2HD1      LEU  21   1.941  -5.530  -6.435
  181   3HD1  LEU  21          3HD1      LEU  21   1.884  -4.578  -4.951
  182   1HD2  LEU  21          1HD2      LEU  21   2.330  -7.880  -6.351
  183   2HD2  LEU  21          2HD2      LEU  21   3.503  -8.465  -5.172
  184   3HD2  LEU  21          3HD2      LEU  21   3.947  -7.177  -6.292
  185    H    PHE  22           H        PHE  22   1.137  -5.690  -2.850
  186    HA   PHE  22           HA       PHE  22   0.297  -3.115  -3.443
  187   1HB   PHE  22          2HB       PHE  22  -1.101  -5.112  -3.745
  188   2HB   PHE  22          1HB       PHE  22  -1.248  -5.277  -1.999
  189    HD1  PHE  22           1HD      PHE  22  -1.872  -2.807  -4.719
  190    HD2  PHE  22           2HD      PHE  22  -3.076  -4.363  -0.945
  191    HE1  PHE  22           1HE      PHE  22  -3.853  -1.348  -4.754
  192    HE2  PHE  22           2HE      PHE  22  -5.060  -2.907  -0.974
  193    HZ   PHE  22           HZ       PHE  22  -5.450  -1.397  -2.880
  194    H    VAL  23           H        VAL  23   0.390  -4.714  -0.256
  195    HA   VAL  23           HA       VAL  23  -0.661  -2.541   1.181
  196    HB   VAL  23           HB       VAL  23   0.132  -3.659   3.176
  197   1HG1  VAL  23          1HG1      VAL  23  -1.252  -5.151   1.038
  198   2HG1  VAL  23          2HG1      VAL  23  -1.806  -4.706   2.652
  199   3HG1  VAL  23          3HG1      VAL  23  -0.723  -6.081   2.440
  200   1HG2  VAL  23          1HG2      VAL  23   2.324  -4.352   2.603
  201   2HG2  VAL  23          2HG2      VAL  23   1.727  -5.345   1.275
  202   3HG2  VAL  23          3HG2      VAL  23   1.401  -5.815   2.941
  203    H    LEU  24           H        LEU  24   2.712  -3.585   0.701
  204    HA   LEU  24           HA       LEU  24   3.908  -1.581   2.235
  205   1HB   LEU  24          2HB       LEU  24   5.435  -3.180   1.720
  206   2HB   LEU  24          1HB       LEU  24   4.759  -3.467   0.130
  207    HG   LEU  24           HG       LEU  24   6.311  -0.961   0.659
  208   1HD1  LEU  24          1HD1      LEU  24   8.361  -2.058   0.072
  209   2HD1  LEU  24          2HD1      LEU  24   7.526  -3.596  -0.147
  210   3HD1  LEU  24          3HD1      LEU  24   7.658  -2.885   1.461
  211   1HD2  LEU  24          1HD2      LEU  24   5.247  -2.436  -1.643
  212   2HD2  LEU  24          2HD2      LEU  24   6.897  -1.847  -1.843
  213   3HD2  LEU  24          3HD2      LEU  24   5.599  -0.717  -1.457
  214    H    ALA  25           H        ALA  25   3.077  -1.660  -1.207
  215    HA   ALA  25           HA       ALA  25   4.168   0.821  -1.920
  216   1HB   ALA  25          1HB       ALA  25   3.562  -0.729  -3.630
  217   2HB   ALA  25          2HB       ALA  25   2.566   0.711  -3.838
  218   3HB   ALA  25          3HB       ALA  25   1.880  -0.738  -3.105
  219    H    LEU  26           H        LEU  26   0.763   0.014  -1.191
  220    HA   LEU  26           HA       LEU  26  -0.140   2.677  -1.237
  221   1HB   LEU  26          2HB       LEU  26  -2.187   1.877  -0.463
  222   2HB   LEU  26          1HB       LEU  26  -1.512   0.520  -1.343
  223    HG   LEU  26           HG       LEU  26  -0.640  -0.113   1.109
  224   1HD1  LEU  26          1HD1      LEU  26  -3.320   1.032   1.763
  225   2HD1  LEU  26          2HD1      LEU  26  -1.874   2.032   1.897
  226   3HD1  LEU  26          3HD1      LEU  26  -2.012   0.549   2.843
  227   1HD2  LEU  26          1HD2      LEU  26  -2.454  -1.669   1.237
  228   2HD2  LEU  26          2HD2      LEU  26  -2.030  -1.462  -0.462
  229   3HD2  LEU  26          3HD2      LEU  26  -3.458  -0.662   0.196
  230    H    LEU  27           H        LEU  27   1.406   0.777   1.235
  231    HA   LEU  27           HA       LEU  27   0.688   2.311   3.483
  232   1HB   LEU  27          2HB       LEU  27   2.746   0.304   2.817
  233   2HB   LEU  27          1HB       LEU  27   3.148   1.377   4.142
  234   1HD1  LEU  27          1HD1      LEU  27  -0.557   0.612   4.654
  235   2HD1  LEU  27          2HD1      LEU  27  -0.272  -1.074   4.225
  236   3HD1  LEU  27          3HD1      LEU  27  -0.004   0.196   3.032
  237   1HD2  LEU  27          1HD2      LEU  27   1.806  -1.949   3.899
  238   2HD2  LEU  27          2HD2      LEU  27   1.881  -1.725   5.647
  239   3HD2  LEU  27          3HD2      LEU  27   3.227  -1.205   4.632
  240    H    ILE  28           H        ILE  28   3.760   2.332   1.661
  241    HA   ILE  28           HA       ILE  28   4.776   4.653   2.884
  242    HB   ILE  28           HB       ILE  28   5.453   3.650   0.117
  243   1HG1  ILE  28          2HG1      ILE  28   7.183   2.934   2.403
  244   2HG1  ILE  28          1HG1      ILE  28   5.612   2.138   2.376
  245   1HG2  ILE  28          1HG2      ILE  28   6.538   5.657   0.248
  246   2HG2  ILE  28          2HG2      ILE  28   7.746   4.611   0.995
  247   3HG2  ILE  28          3HG2      ILE  28   6.682   5.591   2.004
  248   1HD1  ILE  28          1HD1      ILE  28   7.678   2.088   0.190
  249   2HD1  ILE  28          2HD1      ILE  28   6.083   1.338   0.103
  250   3HD1  ILE  28          3HD1      ILE  28   7.264   0.768   1.283
  251    H    HIS  29           H        HIS  29   3.025   4.185  -0.164
  252    HA   HIS  29           HA       HIS  29   3.126   6.831  -1.068
  253   1HB   HIS  29          2HB       HIS  29   1.047   4.687  -1.536
  254   2HB   HIS  29          1HB       HIS  29   1.107   6.213  -2.413
  255    HD1  HIS  29           1HD      HIS  29   1.489   3.264  -3.617
  256    HD2  HIS  29           2HD      HIS  29   4.472   6.048  -2.835
  257    HE1  HIS  29           1HE      HIS  29   3.406   2.635  -5.118
  258    HE2  HIS  29           2HE      HIS  29   5.229   4.286  -4.571
  259    H    PHE  30           H        PHE  30   0.790   5.180   0.998
  260    HA   PHE  30           HA       PHE  30  -1.052   7.286   1.210
  261   1HB   PHE  30          2HB       PHE  30  -1.625   4.987   1.807
  262   2HB   PHE  30          1HB       PHE  30  -0.484   5.035   3.146
  263    HD1  PHE  30           1HD      PHE  30  -0.903   6.744   4.993
  264    HD2  PHE  30           2HD      PHE  30  -3.829   5.656   2.102
  265    HE1  PHE  30           1HE      PHE  30  -2.675   7.596   6.473
  266    HE2  PHE  30           2HE      PHE  30  -5.608   6.507   3.576
  267    HZ   PHE  30           HZ       PHE  30  -5.031   7.478   5.764
  268    H    ILE  31           H        ILE  31   1.822   6.471   3.125
  269    HA   ILE  31           HA       ILE  31   1.311   8.420   5.130
  270    HB   ILE  31           HB       ILE  31   3.010   6.329   5.010
  271   1HG1  ILE  31          2HG1      ILE  31   2.197   7.515   7.021
  272   2HG1  ILE  31          1HG1      ILE  31   3.909   7.115   7.128
  273   1HG2  ILE  31          1HG2      ILE  31   5.311   7.120   5.036
  274   2HG2  ILE  31          2HG2      ILE  31   4.767   8.750   4.640
  275   3HG2  ILE  31          3HG2      ILE  31   4.552   7.441   3.478
  276   1HD1  ILE  31          1HD1      ILE  31   2.640   9.788   6.674
  277   2HD1  ILE  31          2HD1      ILE  31   4.339   9.487   6.312
  278   3HD1  ILE  31          3HD1      ILE  31   3.739   9.286   7.958
  279    H    LEU  32           H        LEU  32   3.435   8.398   2.268
  280    HA   LEU  32           HA       LEU  32   4.443  11.005   2.661
  281   1HB   LEU  32          2HB       LEU  32   5.082  10.878   0.253
  282   2HB   LEU  32          1HB       LEU  32   5.652   9.541   1.231
  283    HG   LEU  32           HG       LEU  32   3.404   8.427   0.313
  284   1HD1  LEU  32          1HD1      LEU  32   2.535   9.297  -1.554
  285   2HD1  LEU  32          2HD1      LEU  32   4.119   9.693  -2.220
  286   3HD1  LEU  32          3HD1      LEU  32   3.348  10.785  -1.070
  287   1HD2  LEU  32          1HD2      LEU  32   5.023   7.057  -0.349
  288   2HD2  LEU  32          2HD2      LEU  32   6.197   8.372  -0.372
  289   3HD2  LEU  32          3HD2      LEU  32   5.207   8.048  -1.795
  290    H    LEU  33           H        LEU  33   1.860   9.793   0.531
  291    HA   LEU  33           HA       LEU  33   1.086  12.284  -0.488
  292   1HB   LEU  33          2HB       LEU  33  -0.166  10.920  -1.725
  293   2HB   LEU  33          1HB       LEU  33   0.198   9.589  -0.657
  294    HG   LEU  33           HG       LEU  33  -2.050  11.493  -0.060
  295   1HD1  LEU  33          1HD1      LEU  33  -2.664   8.896  -1.318
  296   2HD1  LEU  33          2HD1      LEU  33  -2.013  10.145  -2.381
  297   3HD1  LEU  33          3HD1      LEU  33  -3.485  10.451  -1.458
  298   1HD2  LEU  33          1HD2      LEU  33  -2.196  10.233   1.765
  299   2HD2  LEU  33          2HD2      LEU  33  -0.901   9.185   1.189
  300   3HD2  LEU  33          3HD2      LEU  33  -2.572   8.849   0.739
  301    H    SER  34           H        SER  34   0.111  10.526   2.406
  302    HA   SER  34           HA       SER  34  -1.974  12.223   3.220
  303   1HB   SER  34          2HB       SER  34  -1.759  10.079   4.271
  304   2HB   SER  34          1HB       SER  34  -0.118  10.439   4.805
  305    HG   SER  34           HG       SER  34  -1.387  10.803   6.551
  306    H    THR  35           H        THR  35   1.476  12.190   4.112
  307    HA   THR  35           HA       THR  35   1.411  14.399   5.830
  308    HB   THR  35           HB       THR  35   3.716  13.558   4.066
  309    HG1  THR  35           1HG      THR  35   3.426  11.765   5.151
  310   1HG2  THR  35          1HG2      THR  35   3.595  15.076   6.651
  311   2HG2  THR  35          2HG2      THR  35   4.304  15.582   5.117
  312   3HG2  THR  35          3HG2      THR  35   5.060  14.295   6.055
  313    H    GLU  36           H        GLU  36   1.998  14.223   2.338
  314    HA   GLU  36           HA       GLU  36   2.576  16.945   1.944
  315   1HB   GLU  36          2HB       GLU  36   2.680  14.785   0.358
  316   2HB   GLU  36          1HB       GLU  36   1.162  15.466  -0.210
  317   1HG   GLU  36          2HG       GLU  36   2.533  17.671  -0.381
  318   2HG   GLU  36          1HG       GLU  36   3.920  16.583  -0.381
  319    H    ARG  37           H        ARG  37  -0.476  15.149   1.591
  320    HA   ARG  37           HA       ARG  37  -2.045  17.388   0.888
  321   1HB   ARG  37          2HB       ARG  37  -2.491  14.733   0.894
  322   2HB   ARG  37          1HB       ARG  37  -3.331  15.167   2.377
  323   1HG   ARG  37          2HG       ARG  37  -4.314  17.048   0.732
  324   2HG   ARG  37          1HG       ARG  37  -4.008  15.754  -0.429
  325   1HD   ARG  37          2HD       ARG  37  -5.757  15.688   2.016
  326   2HD   ARG  37          1HD       ARG  37  -6.227  15.454   0.333
  327    HE   ARG  37           HE       ARG  37  -5.127  13.489   2.118
  328   1HH1  ARG  37          1HH1      ARG  37  -5.556  14.396  -1.224
  329   2HH1  ARG  37          2HH1      ARG  37  -5.405  12.774  -1.814
  330   1HH2  ARG  37          1HH2      ARG  37  -4.929  11.355   1.344
  331   2HH2  ARG  37          2HH2      ARG  37  -5.050  11.048  -0.356
  332    H    PHE  38           H        PHE  38  -1.047  16.027   3.944
  333    HA   PHE  38           HA       PHE  38  -2.866  17.349   5.628
  334   1HB   PHE  38          2HB       PHE  38  -0.311  15.918   5.936
  335   2HB   PHE  38          1HB       PHE  38  -0.617  17.136   7.170
  336    HD1  PHE  38           1HD      PHE  38  -3.290  17.045   7.886
  337    HD2  PHE  38           2HD      PHE  38  -0.859  13.801   6.591
  338    HE1  PHE  38           1HE      PHE  38  -4.764  15.472   9.072
  339    HE2  PHE  38           2HE      PHE  38  -2.329  12.222   7.774
  340    HZ   PHE  38           HZ       PHE  38  -4.286  13.058   9.016
  341    H    ASN  39           H        ASN  39   0.565  18.169   5.075
  342    HA   ASN  39           HA       ASN  39   0.467  20.699   6.252
  343   1HB   ASN  39          2HB       ASN  39   2.309  19.317   4.369
  344   2HB   ASN  39          1HB       ASN  39   2.468  21.064   4.526
  345   1HD2  ASN  39          1HD2      ASN  39   1.954  18.278   6.670
  346   2HD2  ASN  39          2HD2      ASN  39   3.143  18.741   7.834
  347    H    TRP  40           H        TRP  40  -0.674  19.615   3.215
  348    HA   TRP  40           HA       TRP  40  -0.611  22.062   1.780
  349   1HB   TRP  40          2HB       TRP  40  -1.406  19.391   1.254
  350   2HB   TRP  40          1HB       TRP  40  -2.813  20.403   0.947
  351    HD1  TRP  40           HD       TRP  40  -0.603  22.845  -0.018
  352    HE1  TRP  40           1HE      TRP  40   0.167  22.699  -2.469
  353    HE3  TRP  40           3HE      TRP  40  -1.846  17.977  -0.976
  354    HZ2  TRP  40           2HZ      TRP  40   0.237  20.779  -4.534
  355    HZ3  TRP  40           3HZ      TRP  40  -1.395  17.064  -3.215
  356    HH2  TRP  40           HH       TRP  40  -0.375  18.438  -4.956
  357    H    LEU  41           H        LEU  41  -3.455  20.302   2.970
  358    HA   LEU  41           HA       LEU  41  -5.102  22.595   3.047
  359   1HB   LEU  41          2HB       LEU  41  -5.450  20.111   4.723
  360   2HB   LEU  41          1HB       LEU  41  -6.695  21.227   4.198
  361    HG   LEU  41           HG       LEU  41  -5.168  19.848   2.064
  362   1HD1  LEU  41          1HD1      LEU  41  -5.957  17.754   2.386
  363   2HD1  LEU  41          2HD1      LEU  41  -7.424  18.311   3.189
  364   3HD1  LEU  41          3HD1      LEU  41  -5.903  18.248   4.078
  365   1HD2  LEU  41          1HD2      LEU  41  -7.036  20.225   0.828
  366   2HD2  LEU  41          2HD2      LEU  41  -7.238  21.512   2.015
  367   3HD2  LEU  41          3HD2      LEU  41  -8.125  19.998   2.196
  368    H    GLU  42           H        GLU  42  -2.575  21.490   5.027
  369    HA   GLU  42           HA       GLU  42  -3.380  22.424   7.529
  370   1HB   GLU  42          2HB       GLU  42  -1.468  20.927   7.253
  371   2HB   GLU  42          1HB       GLU  42  -0.593  22.201   6.417
  372   1HG   GLU  42          2HG       GLU  42   0.246  22.157   8.609
  373   2HG   GLU  42          1HG       GLU  42  -0.806  23.569   8.517
  374    H    GLY  43           H        GLY  43  -1.382  23.952   5.013
  375   1HA   GLY  43          2HA       GLY  43  -2.430  26.547   5.624
  376   2HA   GLY  43          1HA       GLY  43  -0.797  26.343   6.231
  377    H    ALA  44           H        ALA  44   0.015  24.617   3.989
  378    HA   ALA  44           HA       ALA  44   0.974  26.621   2.258
  379   1HB   ALA  44          1HB       ALA  44   1.717  24.088   2.772
  380   2HB   ALA  44          2HB       ALA  44   2.248  24.992   1.353
  381   3HB   ALA  44          3HB       ALA  44   0.903  23.859   1.225
  382    H    SER  45           H        SER  45  -1.611  24.219   1.864
  383    HA   SER  45           HA       SER  45  -2.274  25.036  -0.786
  384   1HB   SER  45          2HB       SER  45  -2.771  22.779   0.371
  385   2HB   SER  45          1HB       SER  45  -4.167  23.602   1.064
  386    H    THR  46           H        THR  46  -3.170  26.114   2.385
  387    HA   THR  46           HA       THR  46  -5.490  27.575   1.441
  388    HB   THR  46           HB       THR  46  -5.791  28.245   3.744
  389    HG1  THR  46           1HG      THR  46  -4.229  27.656   5.307
  390   1HG2  THR  46          1HG2      THR  46  -5.888  26.114   4.912
  391   2HG2  THR  46          2HG2      THR  46  -4.892  25.376   3.657
  392   3HG2  THR  46          3HG2      THR  46  -6.505  25.973   3.266
  393    H    LYS  47           H        LYS  47  -2.126  28.136   2.028
  394    HA   LYS  47           HA       LYS  47  -2.290  30.747   0.855
  395   1HB   LYS  47          2HB       LYS  47  -1.773  30.421   3.794
  396   2HB   LYS  47          1HB       LYS  47  -1.030  31.745   2.908
  397   1HG   LYS  47          2HG       LYS  47  -3.480  32.179   2.098
  398   2HG   LYS  47          1HG       LYS  47  -3.896  31.265   3.549
  399   1HD   LYS  47          2HD       LYS  47  -2.085  33.677   3.513
  400   2HD   LYS  47          1HD       LYS  47  -3.806  33.729   3.900
  401   1HE   LYS  47          2HE       LYS  47  -2.184  31.764   5.394
  402   2HE   LYS  47          1HE       LYS  47  -1.872  33.462   5.749
  403   1HZ   LYS  47          1HZ       LYS  47  -4.657  32.567   5.668
  404   2HZ   LYS  47          2HZ       LYS  47  -3.933  33.755   6.630
  405   3HZ   LYS  47          3HZ       LYS  47  -3.723  32.119   7.006
  406    HA   PRO  48           HA       PRO  48   1.696  28.409   0.288
  407   1HB   PRO  48          2HB       PRO  48   1.685  28.425  -2.413
  408   2HB   PRO  48          1HB       PRO  48   0.833  27.195  -1.471
  409   1HG   PRO  48          2HG       PRO  48  -0.247  29.653  -2.796
  410   2HG   PRO  48          1HG       PRO  48  -0.925  28.015  -2.755
  411   1HD   PRO  48          2HD       PRO  48  -1.794  30.020  -1.136
  412   2HD   PRO  48          1HD       PRO  48  -1.838  28.310  -0.666
  413    H    VAL  49           H        VAL  49   0.476  31.131  -1.660
  414    HA   VAL  49           HA       VAL  49   2.903  32.626  -1.034
  415    HB   VAL  49           HB       VAL  49   1.940  32.385  -3.884
  416   1HG1  VAL  49          1HG1      VAL  49   4.642  33.348  -3.120
  417   2HG1  VAL  49          2HG1      VAL  49   3.273  34.428  -2.857
  418   3HG1  VAL  49          3HG1      VAL  49   3.615  33.815  -4.474
  419   1HG2  VAL  49          1HG2      VAL  49   4.230  31.182  -4.108
  420   2HG2  VAL  49          2HG2      VAL  49   2.829  30.278  -3.536
  421   3HG2  VAL  49          3HG2      VAL  49   4.032  30.862  -2.386
  422    H    GLN  50           H        GLN  50   2.516  34.731  -0.681
  423    HA   GLN  50           HA       GLN  50   1.268  36.585  -0.192
  424   1HB   GLN  50          2HB       GLN  50   0.223  36.221  -2.998
  425   2HB   GLN  50          1HB       GLN  50   0.429  37.728  -2.115
  426   1HG   GLN  50          2HG       GLN  50   2.961  36.767  -2.090
  427   2HG   GLN  50          1HG       GLN  50   2.374  36.143  -3.630
  428   1HE2  GLN  50          1HE2      GLN  50   2.901  39.041  -1.734
  429   2HE2  GLN  50          2HE2      GLN  50   2.942  40.137  -3.068
  430    H    THR  51           H        THR  51   0.004  34.220   0.678
  431    HA   THR  51           HA       THR  51  -1.993  33.397   1.397
  432    HB   THR  51           HB       THR  51  -3.555  34.978   2.209
  433    HG1  THR  51           1HG      THR  51  -2.483  36.935   0.469
  434   1HG2  THR  51          1HG2      THR  51  -0.820  35.455   2.605
  435   2HG2  THR  51          2HG2      THR  51  -2.168  35.925   3.639
  436   3HG2  THR  51          3HG2      THR  51  -1.584  37.030   2.396
  437    H    SER  52           H        SER  52  -1.718  32.620  -1.077
  438    HA   SER  52           HA       SER  52  -3.982  33.479  -2.691
  439   1HB   SER  52          2HB       SER  52  -1.672  33.007  -3.650
  440   2HB   SER  52          1HB       SER  52  -2.001  31.298  -3.359
  441    HG   SER  52           HG       SER  52  -3.937  31.635  -4.663
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -1.664 -35.486  -4.679
    2    HA   MET   1           HA       MET   1  -2.664 -36.049  -2.083
    3   1HB   MET   1          2HB       MET   1  -0.467 -36.392  -0.905
    4   2HB   MET   1          1HB       MET   1  -0.998 -37.754  -1.881
    5   1HG   MET   1          2HG       MET   1   0.507 -36.976  -3.689
    6   2HG   MET   1          1HG       MET   1   1.099 -35.722  -2.603
    7   1HE   MET   1          1HE       MET   1   0.143 -39.283  -1.150
    8   2HE   MET   1          2HE       MET   1   1.542 -40.216  -1.677
    9   3HE   MET   1          3HE       MET   1   0.433 -39.539  -2.870
   10    H    TRP   2           H        TRP   2  -1.691 -34.515  -0.412
   11    HA   TRP   2           HA       TRP   2  -1.607 -32.280   0.123
   12   1HB   TRP   2          2HB       TRP   2   0.908 -33.082  -1.223
   13   2HB   TRP   2          1HB       TRP   2   0.677 -31.354  -0.974
   14    HD1  TRP   2           HD       TRP   2   1.796 -34.430   0.784
   15    HE1  TRP   2           1HE      TRP   2   2.217 -33.930   3.274
   16    HE3  TRP   2           3HE      TRP   2  -0.390 -29.817   1.067
   17    HZ2  TRP   2           2HZ      TRP   2   1.690 -31.856   5.114
   18    HZ3  TRP   2           3HZ      TRP   2  -0.389 -28.642   3.228
   19    HH2  TRP   2           HH       TRP   2   0.630 -29.641   5.209
   20    H    ARG   3           H        ARG   3  -3.493 -32.251  -1.654
   21    HA   ARG   3           HA       ARG   3  -4.591 -31.037  -3.235
   22   1HB   ARG   3          2HB       ARG   3  -2.506 -29.115  -2.260
   23   2HB   ARG   3          1HB       ARG   3  -3.567 -28.661  -3.586
   24   1HG   ARG   3          2HG       ARG   3  -5.510 -29.185  -2.104
   25   2HG   ARG   3          1HG       ARG   3  -4.362 -29.400  -0.782
   26   1HD   ARG   3          2HD       ARG   3  -4.869 -27.206  -0.457
   27   2HD   ARG   3          1HD       ARG   3  -3.547 -27.014  -1.607
   28    HE   ARG   3           HE       ARG   3  -5.040 -26.139  -3.086
   29   1HH1  ARG   3          1HH1      ARG   3  -6.809 -27.998  -0.721
   30   2HH1  ARG   3          2HH1      ARG   3  -8.361 -27.537  -1.338
   31   1HH2  ARG   3          1HH2      ARG   3  -7.079 -25.531  -3.897
   32   2HH2  ARG   3          2HH2      ARG   3  -8.514 -26.137  -3.140
   33    H    ILE   4           H        ILE   4  -2.727 -32.902  -4.214
   34    HA   ILE   4           HA       ILE   4  -1.555 -33.502  -6.079
   35    HB   ILE   4           HB       ILE   4  -3.052 -31.274  -7.450
   36   1HG1  ILE   4          2HG1      ILE   4  -4.613 -32.597  -6.077
   37   2HG1  ILE   4          1HG1      ILE   4  -4.884 -32.860  -7.797
   38   1HG2  ILE   4          1HG2      ILE   4  -2.467 -32.232  -9.392
   39   2HG2  ILE   4          2HG2      ILE   4  -2.685 -33.867  -8.768
   40   3HG2  ILE   4          3HG2      ILE   4  -1.190 -32.990  -8.441
   41   1HD1  ILE   4          1HD1      ILE   4  -5.028 -34.930  -6.522
   42   2HD1  ILE   4          2HD1      ILE   4  -3.371 -34.704  -5.964
   43   3HD1  ILE   4          3HD1      ILE   4  -3.696 -34.973  -7.676
   44    H    TRP   5           H        TRP   5  -0.210 -31.680  -4.407
   45    HA   TRP   5           HA       TRP   5   1.376 -30.006  -4.343
   46   1HB   TRP   5          2HB       TRP   5   3.341 -30.618  -5.656
   47   2HB   TRP   5          1HB       TRP   5   2.586 -32.052  -4.969
   48    HD1  TRP   5           HD       TRP   5   3.228 -30.315  -8.313
   49    HE1  TRP   5           1HE      TRP   5   2.774 -31.992 -10.214
   50    HE3  TRP   5           3HE      TRP   5   1.230 -34.135  -5.567
   51    HZ2  TRP   5           2HZ      TRP   5   1.710 -34.590 -10.509
   52    HZ3  TRP   5           3HZ      TRP   5   0.518 -36.182  -6.733
   53    HH2  TRP   5           HH       TRP   5   0.754 -36.402  -9.154
   54    H    GLN   6           H        GLN   6  -0.884 -29.146  -5.871
   55    HA   GLN   6           HA       GLN   6   0.220 -26.883  -7.129
   56   1HB   GLN   6          2HB       GLN   6   0.791 -28.395  -8.931
   57   2HB   GLN   6          1HB       GLN   6  -0.852 -29.018  -8.983
   58   1HG   GLN   6          2HG       GLN   6  -1.567 -26.648  -9.556
   59   2HG   GLN   6          1HG       GLN   6   0.144 -26.317  -9.824
   60   1HE2  GLN   6          1HE2      GLN   6  -2.518 -28.405 -10.811
   61   2HE2  GLN   6          2HE2      GLN   6  -1.936 -28.694 -12.412
   62    H    LEU   7           H        LEU   7  -2.615 -28.604  -8.358
   63    HA   LEU   7           HA       LEU   7  -4.822 -28.075  -8.367
   64   1HB   LEU   7          2HB       LEU   7  -3.928 -27.657  -5.586
   65   2HB   LEU   7          1HB       LEU   7  -5.456 -26.904  -6.004
   66    HG   LEU   7           HG       LEU   7  -4.781 -29.838  -6.159
   67   1HD1  LEU   7          1HD1      LEU   7  -6.010 -30.125  -4.283
   68   2HD1  LEU   7          2HD1      LEU   7  -7.099 -28.791  -4.658
   69   3HD1  LEU   7          3HD1      LEU   7  -5.503 -28.463  -3.985
   70   1HD2  LEU   7          1HD2      LEU   7  -7.292 -29.963  -6.733
   71   2HD2  LEU   7          2HD2      LEU   7  -6.152 -29.552  -8.014
   72   3HD2  LEU   7          3HD2      LEU   7  -7.102 -28.284  -7.239
   73    H    PHE   8           H        PHE   8  -3.956 -25.393  -6.236
   74    HA   PHE   8           HA       PHE   8  -4.397 -23.509  -8.440
   75   1HB   PHE   8          2HB       PHE   8  -5.964 -23.752  -5.918
   76   2HB   PHE   8          1HB       PHE   8  -5.611 -22.128  -6.505
   77    HD1  PHE   8           1HD      PHE   8  -6.878 -25.398  -7.782
   78    HD2  PHE   8           2HD      PHE   8  -7.115 -21.152  -7.934
   79    HE1  PHE   8           1HE      PHE   8  -8.761 -25.563  -9.357
   80    HE2  PHE   8           2HE      PHE   8  -8.999 -21.309  -9.508
   81    HZ   PHE   8           HZ       PHE   8  -9.825 -23.517 -10.221
   82    H    ASP   9           H        ASP   9  -2.079 -23.321  -8.336
   83    HA   ASP   9           HA       ASP   9  -0.764 -22.410  -5.980
   84   1HB   ASP   9          2HB       ASP   9   0.246 -22.100  -8.807
   85   2HB   ASP   9          1HB       ASP   9   1.192 -22.205  -7.326
   86    HA   PRO  10           HA       PRO  10  -0.993 -18.146  -8.497
   87   1HB   PRO  10          2HB       PRO  10  -3.779 -18.558  -9.462
   88   2HB   PRO  10          1HB       PRO  10  -2.429 -17.727 -10.242
   89   1HG   PRO  10          2HG       PRO  10  -3.195 -20.138 -11.068
   90   2HG   PRO  10          1HG       PRO  10  -1.477 -19.703 -10.999
   91   1HD   PRO  10          2HD       PRO  10  -3.076 -21.416  -9.148
   92   2HD   PRO  10          1HD       PRO  10  -1.396 -21.601  -9.690
   93    H    ARG  11           H        ARG  11  -3.826 -19.733  -7.080
   94    HA   ARG  11           HA       ARG  11  -5.067 -17.509  -5.959
   95   1HB   ARG  11          2HB       ARG  11  -6.100 -19.733  -6.069
   96   2HB   ARG  11          1HB       ARG  11  -4.959 -20.326  -4.870
   97   1HG   ARG  11          2HG       ARG  11  -6.716 -17.999  -4.233
   98   2HG   ARG  11          1HG       ARG  11  -7.351 -19.644  -4.147
   99   1HD   ARG  11          2HD       ARG  11  -5.010 -19.917  -2.805
  100   2HD   ARG  11          1HD       ARG  11  -5.437 -18.255  -2.399
  101    HE   ARG  11           HE       ARG  11  -7.723 -19.739  -1.999
  102   1HH1  ARG  11          1HH1      ARG  11  -4.467 -19.725  -0.741
  103   2HH1  ARG  11          2HH1      ARG  11  -4.930 -20.343   0.808
  104   1HH2  ARG  11          1HH2      ARG  11  -8.334 -20.552   0.038
  105   2HH2  ARG  11          2HH2      ARG  11  -7.124 -20.814   1.251
  106    H    GLN  12           H        GLN  12  -3.177 -19.868  -4.066
  107    HA   GLN  12           HA       GLN  12  -2.871 -18.284  -1.807
  108   1HB   GLN  12          2HB       GLN  12  -0.805 -19.745  -1.393
  109   2HB   GLN  12          1HB       GLN  12  -2.359 -20.554  -1.543
  110   1HG   GLN  12          2HG       GLN  12  -1.446 -21.865  -3.068
  111   2HG   GLN  12          1HG       GLN  12  -1.336 -20.464  -4.131
  112   1HE2  GLN  12          1HE2      GLN  12   0.574 -20.600  -5.087
  113   2HE2  GLN  12          2HE2      GLN  12   2.088 -20.828  -4.286
  114    H    ALA  13           H        ALA  13  -0.690 -18.655  -4.574
  115    HA   ALA  13           HA       ALA  13   1.341 -16.954  -3.641
  116   1HB   ALA  13          1HB       ALA  13   0.657 -17.350  -6.542
  117   2HB   ALA  13          2HB       ALA  13   1.450 -18.592  -5.573
  118   3HB   ALA  13          3HB       ALA  13   2.235 -17.032  -5.821
  119    H    LEU  14           H        LEU  14  -1.702 -16.310  -5.226
  120    HA   LEU  14           HA       LEU  14  -1.134 -13.634  -6.003
  121   1HB   LEU  14          2HB       LEU  14  -3.565 -15.329  -5.794
  122   2HB   LEU  14          1HB       LEU  14  -3.799 -13.592  -5.820
  123    HG   LEU  14           HG       LEU  14  -2.149 -14.941  -7.932
  124   1HD1  LEU  14          1HD1      LEU  14  -4.450 -14.665  -9.218
  125   2HD1  LEU  14          2HD1      LEU  14  -5.095 -14.963  -7.604
  126   3HD1  LEU  14          3HD1      LEU  14  -4.029 -16.147  -8.358
  127   1HD2  LEU  14          1HD2      LEU  14  -2.755 -13.002  -9.235
  128   2HD2  LEU  14          2HD2      LEU  14  -2.076 -12.485  -7.692
  129   3HD2  LEU  14          3HD2      LEU  14  -3.819 -12.431  -7.951
  130    H    VAL  15           H        VAL  15  -2.748 -15.065  -3.188
  131    HA   VAL  15           HA       VAL  15  -3.370 -12.577  -1.967
  132    HB   VAL  15           HB       VAL  15  -4.561 -14.639  -1.374
  133   1HG1  VAL  15          1HG1      VAL  15  -3.325 -16.159   0.303
  134   2HG1  VAL  15          2HG1      VAL  15  -1.857 -15.479  -0.398
  135   3HG1  VAL  15          3HG1      VAL  15  -2.996 -16.355  -1.419
  136   1HG2  VAL  15          1HG2      VAL  15  -4.412 -14.377   1.133
  137   2HG2  VAL  15          2HG2      VAL  15  -4.715 -12.895   0.224
  138   3HG2  VAL  15          3HG2      VAL  15  -3.101 -13.232   0.851
  139    H    GLY  16           H        GLY  16  -0.526 -14.582  -2.041
  140   1HA   GLY  16          2HA       GLY  16   0.719 -13.452   0.276
  141   2HA   GLY  16          1HA       GLY  16   1.507 -14.419  -0.965
  142    H    LEU  17           H        LEU  17   1.319 -13.078  -3.211
  143    HA   LEU  17           HA       LEU  17   3.190 -11.003  -2.958
  144   1HB   LEU  17          2HB       LEU  17   2.627 -10.558  -5.354
  145   2HB   LEU  17          1HB       LEU  17   3.076 -12.214  -4.993
  146    HG   LEU  17           HG       LEU  17   0.422 -12.461  -4.783
  147   1HD1  LEU  17          1HD1      LEU  17  -0.819 -10.940  -5.849
  148   2HD1  LEU  17          2HD1      LEU  17   0.368 -10.725  -7.134
  149   3HD1  LEU  17          3HD1      LEU  17   0.563  -9.872  -5.603
  150   1HD2  LEU  17          1HD2      LEU  17   0.444 -13.329  -7.053
  151   2HD2  LEU  17          2HD2      LEU  17   1.927 -13.773  -6.208
  152   3HD2  LEU  17          3HD2      LEU  17   1.943 -12.462  -7.387
  153    H    ALA  18           H        ALA  18  -0.295 -10.947  -3.594
  154    HA   ALA  18           HA       ALA  18  -0.615  -8.187  -3.839
  155   1HB   ALA  18          1HB       ALA  18  -2.532 -10.301  -2.877
  156   2HB   ALA  18          2HB       ALA  18  -2.382  -9.641  -4.506
  157   3HB   ALA  18          3HB       ALA  18  -2.994  -8.629  -3.198
  158    H    THR  19           H        THR  19  -0.540 -10.237  -0.964
  159    HA   THR  19           HA       THR  19  -1.391  -8.248   0.862
  160    HB   THR  19           HB       THR  19   0.147 -10.819   1.213
  161    HG1  THR  19           1HG      THR  19  -1.796 -11.553   1.974
  162   1HG2  THR  19          1HG2      THR  19   0.837  -9.479   3.071
  163   2HG2  THR  19          2HG2      THR  19  -0.364 -10.642   3.629
  164   3HG2  THR  19          3HG2      THR  19  -0.821  -8.959   3.370
  165    H    PHE  20           H        PHE  20   1.873  -9.514   0.169
  166    HA   PHE  20           HA       PHE  20   3.271  -7.722   1.797
  167   1HB   PHE  20          2HB       PHE  20   4.021  -9.875   0.440
  168   2HB   PHE  20          1HB       PHE  20   4.524  -8.668  -0.739
  169    HD1  PHE  20           1HD      PHE  20   5.022  -9.899   2.692
  170    HD2  PHE  20           2HD      PHE  20   6.426  -7.296  -0.367
  171    HE1  PHE  20           1HE      PHE  20   7.099  -9.536   3.960
  172    HE2  PHE  20           2HE      PHE  20   8.506  -6.929   0.894
  173    HZ   PHE  20           HZ       PHE  20   8.845  -8.050   3.061
  174    H    LEU  21           H        LEU  21   2.413  -7.491  -1.638
  175    HA   LEU  21           HA       LEU  21   3.749  -5.041  -2.098
  176   1HB   LEU  21          2HB       LEU  21   3.324  -6.002  -4.100
  177   2HB   LEU  21          1HB       LEU  21   1.866  -6.786  -3.533
  178    HG   LEU  21           HG       LEU  21   1.740  -3.848  -3.958
  179   1HD1  LEU  21          1HD1      LEU  21   1.101  -4.517  -6.405
  180   2HD1  LEU  21          2HD1      LEU  21   2.201  -5.862  -6.103
  181   3HD1  LEU  21          3HD1      LEU  21   2.781  -4.202  -5.970
  182   1HD2  LEU  21          1HD2      LEU  21  -0.046  -6.103  -3.680
  183   2HD2  LEU  21          2HD2      LEU  21  -0.409  -5.176  -5.135
  184   3HD2  LEU  21          3HD2      LEU  21  -0.386  -4.377  -3.564
  185    H    PHE  22           H        PHE  22   0.282  -5.745  -1.714
  186    HA   PHE  22           HA       PHE  22  -0.705  -3.183  -1.694
  187   1HB   PHE  22          2HB       PHE  22  -2.105  -5.208  -1.693
  188   2HB   PHE  22          1HB       PHE  22  -1.680  -5.496  -0.009
  189    HD1  PHE  22           1HD      PHE  22  -2.710  -4.273   1.757
  190    HD2  PHE  22           2HD      PHE  22  -3.537  -3.312  -2.306
  191    HE1  PHE  22           1HE      PHE  22  -4.610  -2.884   2.476
  192    HE2  PHE  22           2HE      PHE  22  -5.438  -1.921  -1.594
  193    HZ   PHE  22           HZ       PHE  22  -5.975  -1.705   0.800
  194    H    VAL  23           H        VAL  23   0.420  -5.032   1.144
  195    HA   VAL  23           HA       VAL  23  -0.098  -3.014   3.024
  196    HB   VAL  23           HB       VAL  23   1.295  -4.262   4.546
  197   1HG1  VAL  23          1HG1      VAL  23   0.327  -6.662   3.892
  198   2HG1  VAL  23          2HG1      VAL  23  -0.637  -5.663   2.806
  199   3HG1  VAL  23          3HG1      VAL  23  -0.681  -5.371   4.544
  200   1HG2  VAL  23          1HG2      VAL  23   2.469  -6.337   3.703
  201   2HG2  VAL  23          2HG2      VAL  23   3.222  -4.795   3.298
  202   3HG2  VAL  23          3HG2      VAL  23   2.283  -5.663   2.086
  203    H    LEU  24           H        LEU  24   2.942  -3.916   1.393
  204    HA   LEU  24           HA       LEU  24   4.641  -2.083   2.540
  205   1HB   LEU  24          2HB       LEU  24   5.262  -3.925   1.003
  206   2HB   LEU  24          1HB       LEU  24   4.615  -2.993  -0.334
  207    HG   LEU  24           HG       LEU  24   6.329  -1.388  -0.193
  208   1HD1  LEU  24          1HD1      LEU  24   6.588  -0.824   2.019
  209   2HD1  LEU  24          2HD1      LEU  24   8.075  -1.726   1.722
  210   3HD1  LEU  24          3HD1      LEU  24   6.721  -2.502   2.544
  211   1HD2  LEU  24          1HD2      LEU  24   8.117  -2.656  -0.830
  212   2HD2  LEU  24          2HD2      LEU  24   6.842  -3.874  -0.895
  213   3HD2  LEU  24          3HD2      LEU  24   7.921  -3.799   0.499
  214    H    ALA  25           H        ALA  25   3.142  -1.695  -0.661
  215    HA   ALA  25           HA       ALA  25   3.744   0.996  -0.998
  216   1HB   ALA  25          1HB       ALA  25   2.241   0.998  -2.805
  217   2HB   ALA  25          2HB       ALA  25   1.239  -0.261  -2.082
  218   3HB   ALA  25          3HB       ALA  25   2.838  -0.659  -2.712
  219    H    LEU  26           H        LEU  26   1.348  -0.513   0.980
  220    HA   LEU  26           HA       LEU  26  -0.452   1.656   1.214
  221   1HB   LEU  26          2HB       LEU  26  -0.163  -0.952   2.322
  222   2HB   LEU  26          1HB       LEU  26  -0.382   0.176   3.644
  223    HG   LEU  26           HG       LEU  26  -2.518  -0.710   2.972
  224   1HD1  LEU  26          1HD1      LEU  26  -2.916   1.401   3.734
  225   2HD1  LEU  26          2HD1      LEU  26  -3.527   1.560   2.087
  226   3HD1  LEU  26          3HD1      LEU  26  -1.917   2.157   2.493
  227   1HD2  LEU  26          1HD2      LEU  26  -3.296   0.118   0.599
  228   2HD2  LEU  26          2HD2      LEU  26  -2.427  -1.404   0.794
  229   3HD2  LEU  26          3HD2      LEU  26  -1.567   0.039   0.255
  230    H    LEU  27           H        LEU  27   2.191   0.547   3.344
  231    HA   LEU  27           HA       LEU  27   2.001   2.701   5.147
  232   1HB   LEU  27          2HB       LEU  27   4.369   2.060   5.750
  233   2HB   LEU  27          1HB       LEU  27   3.164   0.795   5.891
  234   1HD1  LEU  27          1HD1      LEU  27   6.020   2.062   4.325
  235   2HD1  LEU  27          2HD1      LEU  27   6.456   0.670   3.333
  236   3HD1  LEU  27          3HD1      LEU  27   6.553   0.564   5.090
  237   1HD2  LEU  27          1HD2      LEU  27   5.294  -1.514   4.349
  238   2HD2  LEU  27          2HD2      LEU  27   3.545  -1.375   4.519
  239   3HD2  LEU  27          3HD2      LEU  27   4.597  -0.964   5.873
  240    H    ILE  28           H        ILE  28   4.089   2.178   2.324
  241    HA   ILE  28           HA       ILE  28   5.517   4.598   2.530
  242    HB   ILE  28           HB       ILE  28   4.909   3.085  -0.012
  243   1HG1  ILE  28          2HG1      ILE  28   5.839   1.564   1.656
  244   2HG1  ILE  28          1HG1      ILE  28   7.035   1.899   0.407
  245   1HG2  ILE  28          1HG2      ILE  28   6.100   5.503   0.242
  246   2HG2  ILE  28          2HG2      ILE  28   6.443   4.357  -1.053
  247   3HG2  ILE  28          3HG2      ILE  28   7.494   4.430   0.360
  248   1HD1  ILE  28          1HD1      ILE  28   8.228   3.371   1.848
  249   2HD1  ILE  28          2HD1      ILE  28   7.930   1.869   2.723
  250   3HD1  ILE  28          3HD1      ILE  28   6.954   3.297   3.065
  251    H    HIS  29           H        HIS  29   2.912   3.763   0.239
  252    HA   HIS  29           HA       HIS  29   2.517   6.303  -0.796
  253   1HB   HIS  29          2HB       HIS  29   1.549   4.232  -1.747
  254   2HB   HIS  29          1HB       HIS  29   0.414   4.164  -0.402
  255    HD1  HIS  29           1HD      HIS  29  -1.808   5.011  -1.037
  256    HD2  HIS  29           2HD      HIS  29   1.221   6.967  -3.100
  257    HE1  HIS  29           1HE      HIS  29  -2.973   6.657  -2.539
  258    HE2  HIS  29           2HE      HIS  29  -1.117   7.886  -3.718
  259    H    PHE  30           H        PHE  30   0.980   4.788   2.024
  260    HA   PHE  30           HA       PHE  30  -0.831   6.845   2.582
  261   1HB   PHE  30          2HB       PHE  30  -0.976   4.621   3.613
  262   2HB   PHE  30          1HB       PHE  30   0.502   4.938   4.516
  263    HD1  PHE  30           1HD      PHE  30  -3.069   5.578   4.271
  264    HD2  PHE  30           2HD      PHE  30   0.511   6.534   6.363
  265    HE1  PHE  30           1HE      PHE  30  -4.401   6.563   6.090
  266    HE2  PHE  30           2HE      PHE  30  -0.813   7.518   8.187
  267    HZ   PHE  30           HZ       PHE  30  -3.272   7.534   8.053
  268    H    ILE  31           H        ILE  31   2.596   6.511   3.324
  269    HA   ILE  31           HA       ILE  31   2.634   8.637   5.227
  270    HB   ILE  31           HB       ILE  31   4.410   6.670   4.589
  271   1HG1  ILE  31          2HG1      ILE  31   5.043   9.267   6.004
  272   2HG1  ILE  31          1HG1      ILE  31   4.208   7.893   6.722
  273   1HG2  ILE  31          1HG2      ILE  31   6.450   7.692   3.766
  274   2HG2  ILE  31          2HG2      ILE  31   5.614   9.231   3.559
  275   3HG2  ILE  31          3HG2      ILE  31   5.159   7.840   2.577
  276   1HD1  ILE  31          1HD1      ILE  31   6.194   6.525   6.448
  277   2HD1  ILE  31          2HD1      ILE  31   6.552   7.981   7.377
  278   3HD1  ILE  31          3HD1      ILE  31   7.031   7.875   5.683
  279    H    LEU  32           H        LEU  32   3.510   8.388   1.783
  280    HA   LEU  32           HA       LEU  32   4.296  11.088   1.485
  281   1HB   LEU  32          2HB       LEU  32   3.067   9.584  -0.785
  282   2HB   LEU  32          1HB       LEU  32   4.431  10.685  -0.794
  283    HG   LEU  32           HG       LEU  32   4.415   7.837   0.186
  284   1HD1  LEU  32          1HD1      LEU  32   6.351   7.951  -1.647
  285   2HD1  LEU  32          2HD1      LEU  32   5.287   9.206  -2.282
  286   3HD1  LEU  32          3HD1      LEU  32   4.676   7.569  -2.044
  287   1HD2  LEU  32          1HD2      LEU  32   6.615   8.072   0.910
  288   2HD2  LEU  32          2HD2      LEU  32   5.835   9.539   1.498
  289   3HD2  LEU  32          3HD2      LEU  32   6.837   9.595   0.049
  290    H    LEU  33           H        LEU  33   1.290   9.426   0.608
  291    HA   LEU  33           HA       LEU  33  -0.151  11.654  -0.230
  292   1HB   LEU  33          2HB       LEU  33  -1.553   9.992  -0.722
  293   2HB   LEU  33          1HB       LEU  33  -0.652   8.893   0.296
  294    HG   LEU  33           HG       LEU  33  -2.748  10.709   1.456
  295   1HD1  LEU  33          1HD1      LEU  33  -4.096   9.618  -0.054
  296   2HD1  LEU  33          2HD1      LEU  33  -4.136   8.497   1.307
  297   3HD1  LEU  33          3HD1      LEU  33  -3.089   8.171  -0.073
  298   1HD2  LEU  33          1HD2      LEU  33  -2.114   9.730   3.345
  299   2HD2  LEU  33          2HD2      LEU  33  -0.931   8.764   2.465
  300   3HD2  LEU  33          3HD2      LEU  33  -2.574   8.162   2.680
  301    H    SER  34           H        SER  34   0.334  10.296   2.983
  302    HA   SER  34           HA       SER  34  -1.512  11.882   4.383
  303   1HB   SER  34          2HB       SER  34   0.970  10.387   5.145
  304   2HB   SER  34          1HB       SER  34   0.235  11.483   6.315
  305    HG   SER  34           HG       SER  34  -0.464   9.037   5.890
  306    H    THR  35           H        THR  35   1.972  12.350   3.815
  307    HA   THR  35           HA       THR  35   2.155  14.848   5.106
  308    HB   THR  35           HB       THR  35   3.839  13.764   2.839
  309    HG1  THR  35           1HG      THR  35   4.010  12.352   4.499
  310   1HG2  THR  35          1HG2      THR  35   4.421  16.025   3.023
  311   2HG2  THR  35          2HG2      THR  35   5.630  15.150   3.962
  312   3HG2  THR  35          3HG2      THR  35   4.317  15.993   4.782
  313    H    GLU  36           H        GLU  36   1.385  13.952   1.790
  314    HA   GLU  36           HA       GLU  36   1.466  16.534   0.669
  315   1HB   GLU  36          2HB       GLU  36   1.419  14.385  -0.615
  316   2HB   GLU  36          1HB       GLU  36  -0.281  14.225  -0.196
  317   1HG   GLU  36          2HG       GLU  36  -0.929  15.925  -1.589
  318   2HG   GLU  36          1HG       GLU  36   0.643  16.721  -1.527
  319    H    ARG  37           H        ARG  37  -1.198  14.654   2.072
  320    HA   ARG  37           HA       ARG  37  -3.217  16.566   1.598
  321   1HB   ARG  37          2HB       ARG  37  -3.328  14.049   2.385
  322   2HB   ARG  37          1HB       ARG  37  -3.322  14.770   3.988
  323   1HG   ARG  37          2HG       ARG  37  -5.534  14.873   3.758
  324   2HG   ARG  37          1HG       ARG  37  -5.226  16.250   2.700
  325   1HD   ARG  37          2HD       ARG  37  -5.723  13.385   1.935
  326   2HD   ARG  37          1HD       ARG  37  -6.669  14.810   1.504
  327    HE   ARG  37           HE       ARG  37  -4.258  15.332   0.408
  328   1HH1  ARG  37          1HH1      ARG  37  -6.394  12.576   0.240
  329   2HH1  ARG  37          2HH1      ARG  37  -5.892  12.127  -1.356
  330   1HH2  ARG  37          1HH2      ARG  37  -3.596  14.742  -1.690
  331   2HH2  ARG  37          2HH2      ARG  37  -4.303  13.356  -2.451
  332    H    PHE  38           H        PHE  38  -0.934  16.093   4.226
  333    HA   PHE  38           HA       PHE  38  -2.039  17.900   6.068
  334   1HB   PHE  38          2HB       PHE  38   0.638  16.666   5.648
  335   2HB   PHE  38          1HB       PHE  38   0.552  18.077   6.698
  336    HD1  PHE  38           1HD      PHE  38   0.773  17.345   8.869
  337    HD2  PHE  38           2HD      PHE  38  -1.790  15.219   6.218
  338    HE1  PHE  38           1HE      PHE  38   0.039  15.914  10.732
  339    HE2  PHE  38           2HE      PHE  38  -2.529  13.785   8.076
  340    HZ   PHE  38           HZ       PHE  38  -1.615  14.132  10.337
  341    H    ASN  39           H        ASN  39   0.818  18.421   3.993
  342    HA   ASN  39           HA       ASN  39   0.929  21.199   4.353
  343   1HB   ASN  39          2HB       ASN  39   1.892  19.689   1.921
  344   2HB   ASN  39          1HB       ASN  39   2.497  21.226   2.533
  345   1HD2  ASN  39          1HD2      ASN  39   4.196  19.145   2.041
  346   2HD2  ASN  39          2HD2      ASN  39   4.819  18.536   3.533
  347    H    TRP  40           H        TRP  40  -1.187  19.296   2.491
  348    HA   TRP  40           HA       TRP  40  -1.824  21.147   0.428
  349   1HB   TRP  40          2HB       TRP  40  -2.317  18.783   0.131
  350   2HB   TRP  40          1HB       TRP  40  -3.384  18.797   1.529
  351    HD1  TRP  40           HD       TRP  40  -5.685  20.337   1.229
  352    HE1  TRP  40           1HE      TRP  40  -7.118  20.697  -0.878
  353    HE3  TRP  40           3HE      TRP  40  -2.279  18.937  -2.317
  354    HZ2  TRP  40           2HZ      TRP  40  -6.842  20.423  -3.674
  355    HZ3  TRP  40           3HZ      TRP  40  -2.944  19.014  -4.685
  356    HH2  TRP  40           HH       TRP  40  -5.179  19.741  -5.348
  357    H    LEU  41           H        LEU  41  -3.986  19.981   2.988
  358    HA   LEU  41           HA       LEU  41  -5.619  22.281   2.930
  359   1HB   LEU  41          2HB       LEU  41  -6.548  21.427   5.046
  360   2HB   LEU  41          1HB       LEU  41  -6.456  20.185   3.811
  361    HG   LEU  41           HG       LEU  41  -4.143  19.673   5.020
  362   1HD1  LEU  41          1HD1      LEU  41  -4.012  21.224   6.710
  363   2HD1  LEU  41          2HD1      LEU  41  -4.762  19.866   7.548
  364   3HD1  LEU  41          3HD1      LEU  41  -5.752  21.217   6.998
  365   1HD2  LEU  41          1HD2      LEU  41  -6.768  18.778   6.195
  366   2HD2  LEU  41          2HD2      LEU  41  -5.237  17.902   6.191
  367   3HD2  LEU  41          3HD2      LEU  41  -6.106  18.166   4.678
  368    H    GLU  42           H        GLU  42  -2.538  21.664   4.240
  369    HA   GLU  42           HA       GLU  42  -2.550  23.375   6.445
  370   1HB   GLU  42          2HB       GLU  42  -0.518  22.030   4.826
  371   2HB   GLU  42          1HB       GLU  42   0.032  23.489   5.627
  372   1HG   GLU  42          2HG       GLU  42  -1.427  21.366   7.144
  373   2HG   GLU  42          1HG       GLU  42   0.301  21.230   6.824
  374    H    GLY  43           H        GLY  43  -0.901  23.942   3.345
  375   1HA   GLY  43          2HA       GLY  43  -2.070  26.528   2.986
  376   2HA   GLY  43          1HA       GLY  43  -0.433  26.638   3.614
  377    H    ALA  44           H        ALA  44  -1.555  24.139   1.413
  378    HA   ALA  44           HA       ALA  44   0.591  24.556  -0.381
  379   1HB   ALA  44          1HB       ALA  44  -0.256  22.377  -0.313
  380   2HB   ALA  44          2HB       ALA  44  -0.791  23.002  -1.873
  381   3HB   ALA  44          3HB       ALA  44  -1.920  22.920  -0.521
  382    H    SER  45           H        SER  45   0.807  26.234  -1.690
  383    HA   SER  45           HA       SER  45   0.371  27.646  -3.439
  384   1HB   SER  45          2HB       SER  45  -1.499  25.772  -3.929
  385   2HB   SER  45          1HB       SER  45  -2.551  27.130  -3.533
  386    H    THR  46           H        THR  46   0.020  28.177  -0.543
  387    HA   THR  46           HA       THR  46  -1.260  30.769  -0.831
  388    HB   THR  46           HB       THR  46  -2.799  30.516   0.934
  389    HG1  THR  46           1HG      THR  46  -1.497  29.409   2.403
  390   1HG2  THR  46          1HG2      THR  46  -3.476  29.285  -1.120
  391   2HG2  THR  46          2HG2      THR  46  -4.212  28.691   0.369
  392   3HG2  THR  46          3HG2      THR  46  -2.874  27.809  -0.365
  393    H    LYS  47           H        LYS  47   0.371  28.520   1.383
  394    HA   LYS  47           HA       LYS  47   2.067  28.800   2.864
  395   1HB   LYS  47          2HB       LYS  47   2.557  30.742   0.769
  396   2HB   LYS  47          1HB       LYS  47   3.169  31.307   2.318
  397   1HG   LYS  47          2HG       LYS  47   3.803  28.588   1.208
  398   2HG   LYS  47          1HG       LYS  47   4.786  30.018   0.886
  399   1HD   LYS  47          2HD       LYS  47   5.882  29.585   2.776
  400   2HD   LYS  47          1HD       LYS  47   4.410  30.013   3.651
  401   1HE   LYS  47          2HE       LYS  47   3.669  27.643   3.417
  402   2HE   LYS  47          1HE       LYS  47   5.246  27.268   2.723
  403   1HZ   LYS  47          1HZ       LYS  47   6.264  27.429   4.716
  404   2HZ   LYS  47          2HZ       LYS  47   4.724  27.044   5.301
  405   3HZ   LYS  47          3HZ       LYS  47   5.244  28.654   5.285
  406    HA   PRO  48           HA       PRO  48  -0.036  30.920   6.168
  407   1HB   PRO  48          2HB       PRO  48   2.656  30.785   7.438
  408   2HB   PRO  48          1HB       PRO  48   1.085  30.279   8.072
  409   1HG   PRO  48          2HG       PRO  48   2.844  28.475   7.218
  410   2HG   PRO  48          1HG       PRO  48   1.110  28.276   6.903
  411   1HD   PRO  48          2HD       PRO  48   3.289  29.138   5.052
  412   2HD   PRO  48          1HD       PRO  48   1.856  28.141   4.724
  413    H    VAL  49           H        VAL  49  -0.437  33.001   5.668
  414    HA   VAL  49           HA       VAL  49  -0.191  35.235   5.404
  415    HB   VAL  49           HB       VAL  49   0.881  34.645   7.820
  416   1HG1  VAL  49          1HG1      VAL  49   3.185  34.734   6.580
  417   2HG1  VAL  49          2HG1      VAL  49   3.001  35.450   8.179
  418   3HG1  VAL  49          3HG1      VAL  49   2.973  36.475   6.744
  419   1HG2  VAL  49          1HG2      VAL  49   1.135  37.314   7.874
  420   2HG2  VAL  49          2HG2      VAL  49  -0.422  36.484   7.885
  421   3HG2  VAL  49          3HG2      VAL  49   0.223  37.128   6.375
  422    H    GLN  50           H        GLN  50   1.767  37.007   5.116
  423    HA   GLN  50           HA       GLN  50   3.493  37.766   3.823
  424   1HB   GLN  50          2HB       GLN  50   4.043  34.956   2.887
  425   2HB   GLN  50          1HB       GLN  50   5.146  36.323   2.938
  426   1HG   GLN  50          2HG       GLN  50   4.518  36.102   5.552
  427   2HG   GLN  50          1HG       GLN  50   4.390  34.420   5.042
  428   1HE2  GLN  50          1HE2      GLN  50   6.240  33.459   4.008
  429   2HE2  GLN  50          2HE2      GLN  50   7.827  34.017   4.399
  430    H    THR  51           H        THR  51   1.562  38.598   2.702
  431    HA   THR  51           HA       THR  51   0.701  37.258   0.303
  432    HB   THR  51           HB       THR  51  -0.875  38.615   1.590
  433    HG1  THR  51           1HG      THR  51  -0.326  39.809  -0.921
  434   1HG2  THR  51          1HG2      THR  51   0.832  40.968   0.813
  435   2HG2  THR  51          2HG2      THR  51   0.596  40.341   2.445
  436   3HG2  THR  51          3HG2      THR  51  -0.760  41.051   1.568
  437    H    SER  52           H        SER  52   1.237  37.714  -1.783
  438    HA   SER  52           HA       SER  52   2.495  38.426  -3.538
  439   1HB   SER  52          2HB       SER  52   2.560  40.952  -1.875
  440   2HB   SER  52          1HB       SER  52   3.177  40.847  -3.524
  441    HG   SER  52           HG       SER  52   0.707  41.309  -2.778
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  -0.778 -30.647 -13.726
    2    HA   MET   1           HA       MET   1   0.573 -33.142 -13.822
    3   1HB   MET   1          2HB       MET   1   2.382 -30.721 -13.675
    4   2HB   MET   1          1HB       MET   1   2.889 -32.358 -13.281
    5   1HG   MET   1          2HG       MET   1   1.634 -32.029 -15.917
    6   2HG   MET   1          1HG       MET   1   3.182 -31.213 -15.701
    7   1HE   MET   1          1HE       MET   1   4.882 -32.329 -16.998
    8   2HE   MET   1          2HE       MET   1   3.597 -33.097 -17.931
    9   3HE   MET   1          3HE       MET   1   4.960 -34.056 -17.351
   10    H    TRP   2           H        TRP   2  -1.211 -32.900 -12.162
   11    HA   TRP   2           HA       TRP   2  -1.985 -32.538 -10.026
   12   1HB   TRP   2          2HB       TRP   2   0.759 -33.731  -9.711
   13   2HB   TRP   2          1HB       TRP   2  -0.277 -33.437  -8.319
   14    HD1  TRP   2           HD       TRP   2  -2.718 -34.771  -8.370
   15    HE1  TRP   2           1HE      TRP   2  -3.251 -37.120  -9.280
   16    HE3  TRP   2           3HE      TRP   2   1.348 -35.410 -11.404
   17    HZ2  TRP   2           2HZ      TRP   2  -2.100 -38.994 -11.049
   18    HZ3  TRP   2           3HZ      TRP   2   1.556 -37.509 -12.670
   19    HH2  TRP   2           HH       TRP   2  -0.132 -39.263 -12.494
   20    H    ARG   3           H        ARG   3  -1.819 -30.129 -10.551
   21    HA   ARG   3           HA       ARG   3  -1.360 -27.995  -9.903
   22   1HB   ARG   3          2HB       ARG   3  -0.591 -29.325  -7.303
   23   2HB   ARG   3          1HB       ARG   3  -1.021 -27.634  -7.520
   24   1HG   ARG   3          2HG       ARG   3  -2.948 -29.791  -8.272
   25   2HG   ARG   3          1HG       ARG   3  -2.779 -29.279  -6.592
   26   1HD   ARG   3          2HD       ARG   3  -4.071 -27.516  -6.980
   27   2HD   ARG   3          1HD       ARG   3  -2.963 -26.957  -8.231
   28    HE   ARG   3           HE       ARG   3  -4.518 -27.590  -9.760
   29   1HH1  ARG   3          1HH1      ARG   3  -4.988 -29.523  -6.893
   30   2HH1  ARG   3          2HH1      ARG   3  -6.370 -30.352  -7.527
   31   1HH2  ARG   3          1HH2      ARG   3  -6.336 -28.678 -10.595
   32   2HH2  ARG   3          2HH2      ARG   3  -7.135 -29.872  -9.629
   33    H    ILE   4           H        ILE   4   0.808 -29.629 -11.071
   34    HA   ILE   4           HA       ILE   4   3.003 -29.439 -11.587
   35    HB   ILE   4           HB       ILE   4   2.962 -26.749 -10.247
   36   1HG1  ILE   4          2HG1      ILE   4   1.016 -26.865 -11.703
   37   2HG1  ILE   4          1HG1      ILE   4   2.242 -25.837 -12.438
   38   1HG2  ILE   4          1HG2      ILE   4   4.468 -26.402 -12.401
   39   2HG2  ILE   4          2HG2      ILE   4   4.709 -28.137 -12.200
   40   3HG2  ILE   4          3HG2      ILE   4   5.126 -27.031 -10.891
   41   1HD1  ILE   4          1HD1      ILE   4   1.671 -28.700 -13.165
   42   2HD1  ILE   4          2HD1      ILE   4   2.902 -27.673 -13.902
   43   3HD1  ILE   4          3HD1      ILE   4   1.194 -27.273 -14.085
   44    H    TRP   5           H        TRP   5   2.124 -30.290  -8.775
   45    HA   TRP   5           HA       TRP   5   3.318 -31.354  -7.121
   46   1HB   TRP   5          2HB       TRP   5   5.361 -30.869  -8.829
   47   2HB   TRP   5          1HB       TRP   5   5.834 -29.840  -7.482
   48    HD1  TRP   5           HD       TRP   5   6.815 -31.002  -5.359
   49    HE1  TRP   5           1HE      TRP   5   7.391 -33.439  -4.763
   50    HE3  TRP   5           3HE      TRP   5   4.508 -33.360  -9.265
   51    HZ2  TRP   5           2HZ      TRP   5   6.929 -36.019  -5.811
   52    HZ3  TRP   5           3HZ      TRP   5   4.623 -35.815  -9.395
   53    HH2  TRP   5           HH       TRP   5   5.809 -37.115  -7.703
   54    H    GLN   6           H        GLN   6   3.297 -27.941  -7.641
   55    HA   GLN   6           HA       GLN   6   4.130 -27.119  -5.065
   56   1HB   GLN   6          2HB       GLN   6   2.203 -25.556  -6.761
   57   2HB   GLN   6          1HB       GLN   6   3.463 -24.959  -5.690
   58   1HG   GLN   6          2HG       GLN   6   4.702 -26.526  -7.700
   59   2HG   GLN   6          1HG       GLN   6   3.577 -25.416  -8.483
   60   1HE2  GLN   6          1HE2      GLN   6   3.719 -23.256  -6.788
   61   2HE2  GLN   6          2HE2      GLN   6   5.303 -22.569  -6.862
   62    H    LEU   7           H        LEU   7   1.093 -28.167  -6.426
   63    HA   LEU   7           HA       LEU   7  -0.931 -28.626  -5.492
   64   1HB   LEU   7          2HB       LEU   7   1.049 -29.325  -3.550
   65   2HB   LEU   7          1HB       LEU   7  -0.380 -28.729  -2.726
   66    HG   LEU   7           HG       LEU   7  -0.689 -30.776  -4.879
   67   1HD1  LEU   7          1HD1      LEU   7   0.038 -32.523  -3.646
   68   2HD1  LEU   7          2HD1      LEU   7  -0.386 -31.762  -2.113
   69   3HD1  LEU   7          3HD1      LEU   7   1.097 -31.297  -2.949
   70   1HD2  LEU   7          1HD2      LEU   7  -2.763 -30.111  -4.171
   71   2HD2  LEU   7          2HD2      LEU   7  -2.219 -29.783  -2.525
   72   3HD2  LEU   7          3HD2      LEU   7  -2.461 -31.446  -3.059
   73    H    PHE   8           H        PHE   8  -1.683 -26.521  -6.040
   74    HA   PHE   8           HA       PHE   8  -2.704 -24.528  -5.645
   75   1HB   PHE   8          2HB       PHE   8  -3.055 -25.714  -2.887
   76   2HB   PHE   8          1HB       PHE   8  -3.969 -24.361  -3.546
   77    HD1  PHE   8           1HD      PHE   8  -5.588 -24.722  -5.353
   78    HD2  PHE   8           2HD      PHE   8  -3.552 -27.964  -3.495
   79    HE1  PHE   8           1HE      PHE   8  -7.239 -26.290  -6.288
   80    HE2  PHE   8           2HE      PHE   8  -5.198 -29.538  -4.426
   81    HZ   PHE   8           HZ       PHE   8  -7.044 -28.701  -5.826
   82    H    ASP   9           H        ASP   9   0.247 -24.825  -4.921
   83    HA   ASP   9           HA       ASP   9   0.683 -23.047  -2.728
   84   1HB   ASP   9          2HB       ASP   9   2.260 -24.812  -4.135
   85   2HB   ASP   9          1HB       ASP   9   2.872 -23.248  -4.663
   86    HA   PRO  10           HA       PRO  10   1.779 -19.957  -6.419
   87   1HB   PRO  10          2HB       PRO  10  -0.176 -21.050  -8.377
   88   2HB   PRO  10          1HB       PRO  10   1.428 -20.363  -8.652
   89   1HG   PRO  10          2HG       PRO  10   1.032 -22.991  -8.806
   90   2HG   PRO  10          1HG       PRO  10   2.514 -22.333  -8.090
   91   1HD   PRO  10          2HD       PRO  10   0.116 -23.505  -6.748
   92   2HD   PRO  10          1HD       PRO  10   1.831 -23.643  -6.315
   93    H    ARG  11           H        ARG  11  -1.385 -21.359  -5.816
   94    HA   ARG  11           HA       ARG  11  -2.944 -19.085  -6.388
   95   1HB   ARG  11          2HB       ARG  11  -3.919 -21.315  -6.168
   96   2HB   ARG  11          1HB       ARG  11  -3.483 -21.356  -4.466
   97   1HG   ARG  11          2HG       ARG  11  -5.082 -19.746  -3.898
   98   2HG   ARG  11          1HG       ARG  11  -5.286 -19.234  -5.574
   99   1HD   ARG  11          2HD       ARG  11  -6.457 -21.202  -6.138
  100   2HD   ARG  11          1HD       ARG  11  -5.973 -22.008  -4.646
  101    HE   ARG  11           HE       ARG  11  -8.198 -20.248  -5.008
  102   1HH1  ARG  11          1HH1      ARG  11  -5.866 -21.407  -2.684
  103   2HH1  ARG  11          2HH1      ARG  11  -6.877 -21.077  -1.319
  104   1HH2  ARG  11          1HH2      ARG  11  -9.529 -19.812  -3.213
  105   2HH2  ARG  11          2HH2      ARG  11  -8.957 -20.172  -1.617
  106    H    GLN  12           H        GLN  12  -2.398 -20.393  -3.120
  107    HA   GLN  12           HA       GLN  12  -3.048 -18.028  -1.783
  108   1HB   GLN  12          2HB       GLN  12  -1.127 -20.092  -0.720
  109   2HB   GLN  12          1HB       GLN  12  -2.224 -19.064   0.191
  110   1HG   GLN  12          2HG       GLN  12  -4.074 -20.315  -1.134
  111   2HG   GLN  12          1HG       GLN  12  -2.811 -21.516  -1.401
  112   1HE2  GLN  12          1HE2      GLN  12  -5.146 -20.331   0.733
  113   2HE2  GLN  12          2HE2      GLN  12  -4.751 -21.310   2.099
  114    H    ALA  13           H        ALA  13   0.023 -19.204  -3.024
  115    HA   ALA  13           HA       ALA  13   1.697 -17.326  -1.756
  116   1HB   ALA  13          1HB       ALA  13   2.391 -19.453  -2.935
  117   2HB   ALA  13          2HB       ALA  13   3.394 -18.035  -3.240
  118   3HB   ALA  13          3HB       ALA  13   2.221 -18.562  -4.447
  119    H    LEU  14           H        LEU  14   0.121 -17.301  -4.941
  120    HA   LEU  14           HA       LEU  14   1.184 -14.815  -5.770
  121   1HB   LEU  14          2HB       LEU  14  -1.191 -16.443  -6.627
  122   2HB   LEU  14          1HB       LEU  14  -0.877 -14.866  -7.325
  123    HG   LEU  14           HG       LEU  14   1.178 -17.063  -7.362
  124   1HD1  LEU  14          1HD1      LEU  14  -1.157 -16.596  -9.158
  125   2HD1  LEU  14          2HD1      LEU  14  -0.475 -18.112  -8.570
  126   3HD1  LEU  14          3HD1      LEU  14   0.355 -17.203  -9.832
  127   1HD2  LEU  14          1HD2      LEU  14   0.903 -14.872  -9.367
  128   2HD2  LEU  14          2HD2      LEU  14   2.343 -15.746  -8.842
  129   3HD2  LEU  14          3HD2      LEU  14   1.624 -14.521  -7.796
  130    H    VAL  15           H        VAL  15  -1.647 -15.734  -3.924
  131    HA   VAL  15           HA       VAL  15  -2.927 -13.198  -3.982
  132    HB   VAL  15           HB       VAL  15  -3.167 -15.316  -1.839
  133   1HG1  VAL  15          1HG1      VAL  15  -5.557 -14.276  -1.843
  134   2HG1  VAL  15          2HG1      VAL  15  -4.746 -12.891  -2.574
  135   3HG1  VAL  15          3HG1      VAL  15  -4.246 -13.468  -0.984
  136   1HG2  VAL  15          1HG2      VAL  15  -4.431 -16.593  -3.178
  137   2HG2  VAL  15          2HG2      VAL  15  -3.681 -15.701  -4.502
  138   3HG2  VAL  15          3HG2      VAL  15  -5.254 -15.200  -3.882
  139    H    GLY  16           H        GLY  16  -0.361 -14.601  -2.096
  140   1HA   GLY  16          2HA       GLY  16  -0.429 -12.664   0.017
  141   2HA   GLY  16          1HA       GLY  16   0.871 -13.802  -0.316
  142    H    LEU  17           H        LEU  17   1.478 -13.102  -2.926
  143    HA   LEU  17           HA       LEU  17   3.202 -10.903  -2.538
  144   1HB   LEU  17          2HB       LEU  17   2.437 -11.560  -5.318
  145   2HB   LEU  17          1HB       LEU  17   4.025 -11.346  -4.612
  146    HG   LEU  17           HG       LEU  17   2.306 -13.810  -4.527
  147   1HD1  LEU  17          1HD1      LEU  17   3.422 -13.701  -6.579
  148   2HD1  LEU  17          2HD1      LEU  17   4.416 -14.757  -5.577
  149   3HD1  LEU  17          3HD1      LEU  17   4.898 -13.081  -5.841
  150   1HD2  LEU  17          1HD2      LEU  17   4.704 -13.038  -2.923
  151   2HD2  LEU  17          2HD2      LEU  17   4.450 -14.724  -3.376
  152   3HD2  LEU  17          3HD2      LEU  17   3.239 -13.877  -2.414
  153    H    ALA  18           H        ALA  18   0.434 -11.208  -4.732
  154    HA   ALA  18           HA       ALA  18   0.256  -8.547  -5.497
  155   1HB   ALA  18          1HB       ALA  18  -1.050  -9.824  -6.833
  156   2HB   ALA  18          2HB       ALA  18  -2.303  -9.257  -5.730
  157   3HB   ALA  18          3HB       ALA  18  -1.591 -10.856  -5.509
  158    H    THR  19           H        THR  19  -1.472 -10.172  -2.830
  159    HA   THR  19           HA       THR  19  -2.917  -7.880  -2.027
  160    HB   THR  19           HB       THR  19  -2.138 -10.321  -0.422
  161    HG1  THR  19           1HG      THR  19  -4.563  -9.735  -1.765
  162   1HG2  THR  19          1HG2      THR  19  -2.975  -9.187   1.308
  163   2HG2  THR  19          2HG2      THR  19  -4.536  -9.520   0.556
  164   3HG2  THR  19          3HG2      THR  19  -3.734  -7.974   0.277
  165    H    PHE  20           H        PHE  20   0.037  -9.351  -0.689
  166    HA   PHE  20           HA       PHE  20   0.481  -7.466   1.325
  167   1HB   PHE  20          2HB       PHE  20   1.639  -9.650   1.175
  168   2HB   PHE  20          1HB       PHE  20   2.555  -9.052  -0.205
  169    HD1  PHE  20           1HD      PHE  20   2.492  -9.415   3.307
  170    HD2  PHE  20           2HD      PHE  20   3.951  -6.905   0.195
  171    HE1  PHE  20           1HE      PHE  20   4.196  -8.517   4.837
  172    HE2  PHE  20           2HE      PHE  20   5.659  -6.003   1.720
  173    HZ   PHE  20           HZ       PHE  20   5.783  -6.809   4.043
  174    H    LEU  21           H        LEU  21   1.349  -7.449  -2.080
  175    HA   LEU  21           HA       LEU  21   3.094  -5.223  -1.966
  176   1HB   LEU  21          2HB       LEU  21   3.434  -6.357  -3.901
  177   2HB   LEU  21          1HB       LEU  21   1.755  -6.832  -4.048
  178    HG   LEU  21           HG       LEU  21   2.350  -3.969  -4.529
  179   1HD1  LEU  21          1HD1      LEU  21   4.183  -5.462  -5.610
  180   2HD1  LEU  21          2HD1      LEU  21   3.391  -4.211  -6.568
  181   3HD1  LEU  21          3HD1      LEU  21   2.901  -5.897  -6.739
  182   1HD2  LEU  21          1HD2      LEU  21   0.847  -5.066  -6.590
  183   2HD2  LEU  21          2HD2      LEU  21   0.233  -4.189  -5.189
  184   3HD2  LEU  21          3HD2      LEU  21   0.328  -5.949  -5.153
  185    H    PHE  22           H        PHE  22  -0.225  -5.450  -3.245
  186    HA   PHE  22           HA       PHE  22  -0.686  -2.752  -3.621
  187   1HB   PHE  22          2HB       PHE  22  -2.131  -4.683  -4.370
  188   2HB   PHE  22          1HB       PHE  22  -2.793  -4.724  -2.739
  189    HD1  PHE  22           1HD      PHE  22  -4.840  -3.736  -2.516
  190    HD2  PHE  22           2HD      PHE  22  -2.076  -2.116  -5.316
  191    HE1  PHE  22           1HE      PHE  22  -6.487  -2.017  -3.140
  192    HE2  PHE  22           2HE      PHE  22  -3.717  -0.393  -5.945
  193    HZ   PHE  22           HZ       PHE  22  -5.926  -0.342  -4.857
  194    H    VAL  23           H        VAL  23  -1.292  -4.678  -0.690
  195    HA   VAL  23           HA       VAL  23  -2.523  -2.618   0.772
  196    HB   VAL  23           HB       VAL  23  -2.117  -3.975   2.742
  197   1HG1  VAL  23          1HG1      VAL  23  -3.161  -5.167   0.247
  198   2HG1  VAL  23          2HG1      VAL  23  -3.978  -4.843   1.777
  199   3HG1  VAL  23          3HG1      VAL  23  -2.928  -6.252   1.617
  200   1HG2  VAL  23          1HG2      VAL  23   0.074  -4.761   2.549
  201   2HG2  VAL  23          2HG2      VAL  23  -0.224  -5.441   0.950
  202   3HG2  VAL  23          3HG2      VAL  23  -0.924  -6.205   2.375
  203    H    LEU  24           H        LEU  24   0.851  -3.769   0.784
  204    HA   LEU  24           HA       LEU  24   1.802  -1.976   2.709
  205   1HB   LEU  24          2HB       LEU  24   3.299  -3.656   2.324
  206   2HB   LEU  24          1HB       LEU  24   2.989  -3.688   0.601
  207    HG   LEU  24           HG       LEU  24   4.481  -1.386   1.796
  208   1HD1  LEU  24          1HD1      LEU  24   5.604  -4.092   1.104
  209   2HD1  LEU  24          2HD1      LEU  24   5.647  -3.284   2.671
  210   3HD1  LEU  24          3HD1      LEU  24   6.575  -2.636   1.319
  211   1HD2  LEU  24          1HD2      LEU  24   5.598  -1.949  -0.593
  212   2HD2  LEU  24          2HD2      LEU  24   4.225  -0.862  -0.383
  213   3HD2  LEU  24          3HD2      LEU  24   3.957  -2.536  -0.866
  214    H    ALA  25           H        ALA  25   1.665  -1.727  -0.828
  215    HA   ALA  25           HA       ALA  25   2.977   0.733  -1.085
  216   1HB   ALA  25          1HB       ALA  25   1.311   0.817  -3.184
  217   2HB   ALA  25          2HB       ALA  25   1.173  -0.892  -2.770
  218   3HB   ALA  25          3HB       ALA  25   2.752  -0.199  -3.137
  219    H    LEU  26           H        LEU  26  -0.411  -0.051  -0.493
  220    HA   LEU  26           HA       LEU  26  -1.428   2.568  -0.744
  221   1HB   LEU  26          2HB       LEU  26  -2.391   0.086   0.641
  222   2HB   LEU  26          1HB       LEU  26  -3.260   1.598   0.814
  223    HG   LEU  26           HG       LEU  26  -2.649   0.456  -1.897
  224   1HD1  LEU  26          1HD1      LEU  26  -5.034  -0.407  -1.787
  225   2HD1  LEU  26          2HD1      LEU  26  -4.904  -0.233  -0.037
  226   3HD1  LEU  26          3HD1      LEU  26  -3.816  -1.322  -0.898
  227   1HD2  LEU  26          1HD2      LEU  26  -4.404   1.864  -2.638
  228   2HD2  LEU  26          2HD2      LEU  26  -3.389   2.846  -1.580
  229   3HD2  LEU  26          3HD2      LEU  26  -4.921   2.206  -0.988
  230    H    LEU  27           H        LEU  27  -0.170   0.748   2.017
  231    HA   LEU  27           HA       LEU  27  -0.796   2.636   4.006
  232   1HB   LEU  27          2HB       LEU  27   1.035   0.316   3.762
  233   2HB   LEU  27          1HB       LEU  27   1.377   1.459   5.047
  234   1HD1  LEU  27          1HD2      LEU  27  -1.465   0.045   3.444
  235   2HD1  LEU  27          2HD2      LEU  27  -2.454   0.811   4.687
  236   3HD1  LEU  27          3HD2      LEU  27  -2.077  -0.909   4.796
  237   1HD2  LEU  27          1HD1      LEU  27   1.203  -0.784   5.992
  238   2HD2  LEU  27          2HD1      LEU  27  -0.133  -1.729   5.335
  239   3HD2  LEU  27          3HD1      LEU  27  -0.278  -0.986   6.928
  240    H    ILE  28           H        ILE  28   2.336   2.022   2.401
  241    HA   ILE  28           HA       ILE  28   3.671   4.206   3.515
  242    HB   ILE  28           HB       ILE  28   5.238   3.964   1.567
  243   1HG1  ILE  28          2HG1      ILE  28   4.639   1.543   0.478
  244   2HG1  ILE  28          1HG1      ILE  28   3.030   2.233   0.654
  245   1HG2  ILE  28          1HG2      ILE  28   4.526   1.860   3.512
  246   2HG2  ILE  28          2HG2      ILE  28   6.032   2.754   3.304
  247   3HG2  ILE  28          3HG2      ILE  28   5.649   1.411   2.229
  248   1HD1  ILE  28          1HD1      ILE  28   3.393   3.222  -1.296
  249   2HD1  ILE  28          2HD1      ILE  28   5.115   2.847  -1.250
  250   3HD1  ILE  28          3HD1      ILE  28   4.506   4.290  -0.440
  251    H    HIS  29           H        HIS  29   2.105   3.903   0.319
  252    HA   HIS  29           HA       HIS  29   2.635   6.482  -0.590
  253   1HB   HIS  29          2HB       HIS  29   1.654   4.540  -1.907
  254   2HB   HIS  29          1HB       HIS  29   0.100   4.951  -1.187
  255    HD1  HIS  29           1HD      HIS  29  -1.246   6.662  -2.388
  256    HD2  HIS  29           2HD      HIS  29   2.755   6.750  -3.506
  257    HE1  HIS  29           1HE      HIS  29  -1.113   8.313  -4.281
  258    HE2  HIS  29           2HE      HIS  29   1.331   8.417  -4.880
  259    H    PHE  30           H        PHE  30   0.058   5.256   1.457
  260    HA   PHE  30           HA       PHE  30  -1.521   7.576   1.524
  261   1HB   PHE  30          2HB       PHE  30  -2.368   5.395   2.243
  262   2HB   PHE  30          1HB       PHE  30  -1.234   5.385   3.589
  263    HD1  PHE  30           1HD      PHE  30  -1.519   6.987   5.452
  264    HD2  PHE  30           2HD      PHE  30  -4.411   6.587   2.355
  265    HE1  PHE  30           1HE      PHE  30  -3.182   8.127   6.863
  266    HE2  PHE  30           2HE      PHE  30  -6.079   7.726   3.760
  267    HZ   PHE  30           HZ       PHE  30  -5.465   8.498   6.017
  268    H    ILE  31           H        ILE  31   1.312   6.571   3.372
  269    HA   ILE  31           HA       ILE  31   1.061   8.613   5.342
  270    HB   ILE  31           HB       ILE  31   2.574   6.367   5.192
  271   1HG1  ILE  31          2HG1      ILE  31   3.625   8.540   6.932
  272   2HG1  ILE  31          1HG1      ILE  31   1.923   8.116   7.097
  273   1HG2  ILE  31          1HG2      ILE  31   4.515   8.634   4.790
  274   2HG2  ILE  31          2HG2      ILE  31   4.134   7.399   3.593
  275   3HG2  ILE  31          3HG2      ILE  31   4.915   6.947   5.105
  276   1HD1  ILE  31          1HD1      ILE  31   3.787   5.847   7.074
  277   2HD1  ILE  31          2HD1      ILE  31   2.379   6.159   8.092
  278   3HD1  ILE  31          3HD1      ILE  31   3.921   6.934   8.456
  279    H    LEU  32           H        LEU  32   2.960   8.297   2.355
  280    HA   LEU  32           HA       LEU  32   4.271  10.799   2.572
  281   1HB   LEU  32          2HB       LEU  32   3.625   9.620  -0.096
  282   2HB   LEU  32          1HB       LEU  32   5.086  10.429   0.435
  283    HG   LEU  32           HG       LEU  32   4.232   7.621   1.105
  284   1HD1  LEU  32          1HD1      LEU  32   6.618   7.334   0.000
  285   2HD1  LEU  32          2HD1      LEU  32   6.158   8.840  -0.793
  286   3HD1  LEU  32          3HD1      LEU  32   5.145   7.406  -0.969
  287   1HD2  LEU  32          1HD2      LEU  32   6.836   8.869   1.905
  288   2HD2  LEU  32          2HD2      LEU  32   6.079   7.395   2.508
  289   3HD2  LEU  32          3HD2      LEU  32   5.417   8.970   2.946
  290    H    LEU  33           H        LEU  33   1.484   9.767   0.638
  291    HA   LEU  33           HA       LEU  33   0.821  12.260  -0.416
  292   1HB   LEU  33          2HB       LEU  33  -0.575  10.916  -1.515
  293   2HB   LEU  33          1HB       LEU  33  -0.270   9.627  -0.374
  294    HG   LEU  33           HG       LEU  33  -2.325  11.746   0.196
  295   1HD1  LEU  33          1HD1      LEU  33  -2.843  10.757  -1.990
  296   2HD1  LEU  33          2HD1      LEU  33  -4.012  10.281  -0.759
  297   3HD1  LEU  33          3HD1      LEU  33  -2.762   9.148  -1.273
  298   1HD2  LEU  33          1HD2      LEU  33  -2.557  10.587   2.076
  299   2HD2  LEU  33          2HD2      LEU  33  -1.301   9.466   1.556
  300   3HD2  LEU  33          3HD2      LEU  33  -2.984   9.155   1.138
  301    H    SER  34           H        SER  34  -0.140  10.703   2.606
  302    HA   SER  34           HA       SER  34  -2.024  12.631   3.424
  303   1HB   SER  34          2HB       SER  34  -1.653  11.726   5.713
  304   2HB   SER  34          1HB       SER  34  -1.929  10.463   4.514
  305    HG   SER  34           HG       SER  34  -0.128  10.119   6.004
  306    H    THR  35           H        THR  35   1.432  12.280   4.198
  307    HA   THR  35           HA       THR  35   1.631  14.561   5.825
  308    HB   THR  35           HB       THR  35   3.833  13.427   4.098
  309    HG1  THR  35           1HG      THR  35   4.139  11.899   5.624
  310   1HG2  THR  35          1HG2      THR  35   5.260  14.642   5.269
  311   2HG2  THR  35          2HG2      THR  35   4.533  14.143   6.797
  312   3HG2  THR  35          3HG2      THR  35   3.875  15.522   5.915
  313    H    GLU  36           H        GLU  36   2.053  14.134   2.344
  314    HA   GLU  36           HA       GLU  36   2.993  16.726   1.776
  315   1HB   GLU  36          2HB       GLU  36   2.737  14.489   0.315
  316   2HB   GLU  36          1HB       GLU  36   1.311  15.350  -0.246
  317   1HG   GLU  36          2HG       GLU  36   3.258  15.728  -1.679
  318   2HG   GLU  36          1HG       GLU  36   2.664  17.218  -0.949
  319    H    ARG  37           H        ARG  37  -0.286  15.357   1.495
  320    HA   ARG  37           HA       ARG  37  -1.538  17.775   0.774
  321   1HB   ARG  37          2HB       ARG  37  -2.414  15.340   0.631
  322   2HB   ARG  37          1HB       ARG  37  -2.934  15.588   2.292
  323   1HG   ARG  37          2HG       ARG  37  -4.556  17.092   1.707
  324   2HG   ARG  37          1HG       ARG  37  -3.710  17.600   0.244
  325   1HD   ARG  37          2HD       ARG  37  -5.219  15.029   0.691
  326   2HD   ARG  37          1HD       ARG  37  -5.653  16.349  -0.396
  327    HE   ARG  37           HE       ARG  37  -3.190  15.549  -1.252
  328   1HH1  ARG  37          1HH1      ARG  37  -6.249  13.948  -0.740
  329   2HH1  ARG  37          2HH1      ARG  37  -5.985  12.774  -1.985
  330   1HH2  ARG  37          1HH2      ARG  37  -2.841  14.006  -2.890
  331   2HH2  ARG  37          2HH2      ARG  37  -4.051  12.806  -3.205
  332    H    PHE  38           H        PHE  38  -0.794  16.308   3.870
  333    HA   PHE  38           HA       PHE  38  -2.375  17.922   5.524
  334   1HB   PHE  38          2HB       PHE  38  -1.137  15.843   6.217
  335   2HB   PHE  38          1HB       PHE  38   0.345  16.793   6.212
  336    HD1  PHE  38           1HD      PHE  38   1.026  17.806   8.163
  337    HD2  PHE  38           2HD      PHE  38  -3.082  16.808   7.676
  338    HE1  PHE  38           1HE      PHE  38   0.586  18.505  10.480
  339    HE2  PHE  38           2HE      PHE  38  -3.530  17.506   9.992
  340    HZ   PHE  38           HZ       PHE  38  -1.695  18.357  11.397
  341    H    ASN  39           H        ASN  39   1.148  18.223   5.043
  342    HA   ASN  39           HA       ASN  39   1.367  20.798   6.121
  343   1HB   ASN  39          2HB       ASN  39   3.090  19.214   4.232
  344   2HB   ASN  39          1HB       ASN  39   3.524  20.854   4.708
  345   1HD2  ASN  39          1HD2      ASN  39   2.844  17.627   5.919
  346   2HD2  ASN  39          2HD2      ASN  39   3.772  17.775   7.369
  347    H    TRP  40           H        TRP  40   0.107  19.762   3.141
  348    HA   TRP  40           HA       TRP  40   0.655  22.033   1.531
  349   1HB   TRP  40          2HB       TRP  40  -0.739  19.537   1.246
  350   2HB   TRP  40          1HB       TRP  40  -1.775  20.840   0.678
  351    HD1  TRP  40           HD       TRP  40   0.889  18.613  -0.499
  352    HE1  TRP  40           1HE      TRP  40   1.869  19.444  -2.728
  353    HE3  TRP  40           3HE      TRP  40  -1.080  23.331  -0.542
  354    HZ2  TRP  40           2HZ      TRP  40   1.814  21.790  -4.298
  355    HZ3  TRP  40           3HZ      TRP  40  -0.568  24.806  -2.445
  356    HH2  TRP  40           HH       TRP  40   0.849  24.049  -4.283
  357    H    LEU  41           H        LEU  41  -2.554  20.969   2.586
  358    HA   LEU  41           HA       LEU  41  -3.655  23.566   2.505
  359   1HB   LEU  41          2HB       LEU  41  -5.591  22.610   3.577
  360   2HB   LEU  41          1HB       LEU  41  -4.995  21.490   2.367
  361    HG   LEU  41           HG       LEU  41  -3.731  20.460   4.465
  362   1HD1  LEU  41          1HD1      LEU  41  -5.836  22.196   5.596
  363   2HD1  LEU  41          2HD1      LEU  41  -4.307  21.662   6.292
  364   3HD1  LEU  41          3HD1      LEU  41  -5.695  20.574   6.274
  365   1HD2  LEU  41          1HD2      LEU  41  -5.574  19.543   2.874
  366   2HD2  LEU  41          2HD2      LEU  41  -6.647  19.856   4.239
  367   3HD2  LEU  41          3HD2      LEU  41  -5.283  18.753   4.425
  368    H    GLU  42           H        GLU  42  -1.623  21.995   4.735
  369    HA   GLU  42           HA       GLU  42  -2.431  23.195   7.124
  370   1HB   GLU  42          2HB       GLU  42  -0.058  21.764   6.178
  371   2HB   GLU  42          1HB       GLU  42   0.224  22.853   7.521
  372   1HG   GLU  42          2HG       GLU  42  -1.939  20.770   7.535
  373   2HG   GLU  42          1HG       GLU  42  -0.302  20.463   8.111
  374    H    GLY  43           H        GLY  43   0.234  24.046   4.926
  375   1HA   GLY  43          2HA       GLY  43  -0.245  26.853   5.243
  376   2HA   GLY  43          1HA       GLY  43   1.155  26.322   6.158
  377    H    ALA  44           H        ALA  44   1.589  24.232   3.926
  378    HA   ALA  44           HA       ALA  44   3.531  25.688   2.508
  379   1HB   ALA  44          1HB       ALA  44   3.524  23.621   1.002
  380   2HB   ALA  44          2HB       ALA  44   2.313  22.975   2.110
  381   3HB   ALA  44          3HB       ALA  44   3.921  23.392   2.704
  382    H    SER  45           H        SER  45   0.151  25.205   1.945
  383    HA   SER  45           HA       SER  45   0.170  25.756  -0.853
  384   1HB   SER  45          2HB       SER  45  -1.689  24.701   0.760
  385   2HB   SER  45          1HB       SER  45  -2.253  26.371   0.763
  386    H    THR  46           H        THR  46  -0.169  27.693   2.061
  387    HA   THR  46           HA       THR  46  -0.666  30.115   0.536
  388    HB   THR  46           HB       THR  46  -1.038  31.191   2.612
  389    HG1  THR  46           1HG      THR  46   0.738  30.530   3.776
  390   1HG2  THR  46          1HG2      THR  46  -1.945  28.364   3.086
  391   2HG2  THR  46          2HG2      THR  46  -2.782  29.531   2.064
  392   3HG2  THR  46          3HG2      THR  46  -2.616  29.835   3.793
  393    H    LYS  47           H        LYS  47   1.943  28.530   2.234
  394    HA   LYS  47           HA       LYS  47   4.197  28.877   2.162
  395   1HB   LYS  47          2HB       LYS  47   3.493  29.847  -0.213
  396   2HB   LYS  47          1HB       LYS  47   3.964  31.366   0.538
  397   1HG   LYS  47          2HG       LYS  47   6.169  30.375   1.061
  398   2HG   LYS  47          1HG       LYS  47   5.685  28.922   0.184
  399   1HD   LYS  47          2HD       LYS  47   5.154  30.691  -1.715
  400   2HD   LYS  47          1HD       LYS  47   6.366  31.630  -0.841
  401   1HE   LYS  47          2HE       LYS  47   6.698  28.884  -2.036
  402   2HE   LYS  47          1HE       LYS  47   7.459  30.380  -2.578
  403   1HZ   LYS  47          1HZ       LYS  47   8.576  30.479  -0.383
  404   2HZ   LYS  47          2HZ       LYS  47   9.035  29.143  -1.313
  405   3HZ   LYS  47          3HZ       LYS  47   7.954  28.945  -0.027
  406    HA   PRO  48           HA       PRO  48   3.631  32.023   5.464
  407   1HB   PRO  48          2HB       PRO  48   5.099  30.700   7.318
  408   2HB   PRO  48          1HB       PRO  48   3.396  30.338   7.013
  409   1HG   PRO  48          2HG       PRO  48   5.840  28.920   6.023
  410   2HG   PRO  48          1HG       PRO  48   4.332  28.238   6.659
  411   1HD   PRO  48          2HD       PRO  48   4.861  28.395   4.005
  412   2HD   PRO  48          1HD       PRO  48   3.217  28.518   4.662
  413    H    VAL  49           H        VAL  49   5.627  32.614   7.136
  414    HA   VAL  49           HA       VAL  49   7.544  33.810   7.319
  415    HB   VAL  49           HB       VAL  49   8.286  31.338   6.380
  416   1HG1  VAL  49          1HG1      VAL  49   9.863  31.497   4.659
  417   2HG1  VAL  49          2HG1      VAL  49   9.912  33.257   4.743
  418   3HG1  VAL  49          3HG1      VAL  49   8.494  32.445   4.081
  419   1HG2  VAL  49          1HG2      VAL  49  10.688  32.398   6.886
  420   2HG2  VAL  49          2HG2      VAL  49   9.517  32.020   8.149
  421   3HG2  VAL  49          3HG2      VAL  49   9.665  33.673   7.551
  422    H    GLN  50           H        GLN  50   9.256  35.076   5.994
  423    HA   GLN  50           HA       GLN  50   8.538  35.847   3.337
  424   1HB   GLN  50          2HB       GLN  50   7.676  37.516   5.661
  425   2HB   GLN  50          1HB       GLN  50   8.210  38.323   4.192
  426   1HG   GLN  50          2HG       GLN  50   6.111  38.130   3.499
  427   2HG   GLN  50          1HG       GLN  50   6.470  36.423   3.247
  428   1HE2  GLN  50          1HE2      GLN  50   5.936  38.352   6.173
  429   2HE2  GLN  50          2HE2      GLN  50   4.640  37.385   6.782
  430    H    THR  51           H        THR  51  10.212  36.795   6.315
  431    HA   THR  51           HA       THR  51  12.275  38.204   4.883
  432    HB   THR  51           HB       THR  51  12.347  37.343   7.774
  433    HG1  THR  51           1HG      THR  51  10.875  38.759   8.203
  434   1HG2  THR  51          1HG2      THR  51  13.946  38.894   8.131
  435   2HG2  THR  51          2HG2      THR  51  13.351  39.965   6.862
  436   3HG2  THR  51          3HG2      THR  51  14.306  38.544   6.440
  437    H    SER  52           H        SER  52  13.100  36.597   3.489
  438    HA   SER  52           HA       SER  52  14.346  34.251   4.678
  439   1HB   SER  52          2HB       SER  52  15.020  34.038   2.092
  440   2HB   SER  52          1HB       SER  52  13.441  33.542   2.700
  441    HG   SER  52           HG       SER  52  12.561  35.416   1.945
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -5.703 -27.077   8.314
    2    HA   MET   1           HA       MET   1  -5.237 -29.842   7.875
    3   1HB   MET   1          2HB       MET   1  -7.452 -28.616   6.235
    4   2HB   MET   1          1HB       MET   1  -6.554 -30.027   5.694
    5   1HG   MET   1          2HG       MET   1  -7.603 -31.407   7.117
    6   2HG   MET   1          1HG       MET   1  -7.640 -30.213   8.414
    7   1HE   MET   1          1HE       MET   1  -9.060 -30.821   4.820
    8   2HE   MET   1          2HE       MET   1  -8.990 -29.063   4.934
    9   3HE   MET   1          3HE       MET   1 -10.551 -29.880   4.860
   10    H    TRP   2           H        TRP   2  -3.978 -27.187   7.840
   11    HA   TRP   2           HA       TRP   2  -2.573 -25.865   6.594
   12   1HB   TRP   2          2HB       TRP   2  -1.707 -28.518   5.446
   13   2HB   TRP   2          1HB       TRP   2  -0.720 -27.084   5.708
   14    HD1  TRP   2           HD       TRP   2  -1.098 -26.386   8.643
   15    HE1  TRP   2           1HE      TRP   2  -0.431 -27.994  10.540
   16    HE3  TRP   2           3HE      TRP   2  -1.146 -30.784   6.035
   17    HZ2  TRP   2           2HZ      TRP   2   0.014 -30.760  10.884
   18    HZ3  TRP   2           3HZ      TRP   2  -0.587 -32.865   7.222
   19    HH2  TRP   2           HH       TRP   2  -0.018 -32.852   9.597
   20    H    ARG   3           H        ARG   3  -5.141 -26.226   5.322
   21    HA   ARG   3           HA       ARG   3  -6.203 -25.907   3.331
   22   1HB   ARG   3          2HB       ARG   3  -3.591 -24.728   2.392
   23   2HB   ARG   3          1HB       ARG   3  -5.213 -24.318   1.851
   24   1HG   ARG   3          2HG       ARG   3  -5.629 -22.986   3.641
   25   2HG   ARG   3          1HG       ARG   3  -4.602 -23.928   4.723
   26   1HD   ARG   3          2HD       ARG   3  -2.614 -22.997   3.686
   27   2HD   ARG   3          1HD       ARG   3  -3.608 -22.109   2.532
   28    HE   ARG   3           HE       ARG   3  -4.012 -20.532   4.142
   29   1HH1  ARG   3          1HH1      ARG   3  -2.693 -23.384   5.660
   30   2HH1  ARG   3          2HH1      ARG   3  -2.503 -22.626   7.205
   31   1HH2  ARG   3          1HH2      ARG   3  -3.761 -19.532   6.174
   32   2HH2  ARG   3          2HH2      ARG   3  -3.109 -20.440   7.497
   33    H    ILE   4           H        ILE   4  -5.303 -28.464   3.558
   34    HA   ILE   4           HA       ILE   4  -4.647 -30.343   2.428
   35    HB   ILE   4           HB       ILE   4  -5.665 -28.945  -0.033
   36   1HG1  ILE   4          2HG1      ILE   4  -7.275 -28.498   1.737
   37   2HG1  ILE   4          1HG1      ILE   4  -7.931 -29.697   0.627
   38   1HG2  ILE   4          1HG2      ILE   4  -6.401 -31.724   0.537
   39   2HG2  ILE   4          2HG2      ILE   4  -4.673 -31.454   0.304
   40   3HG2  ILE   4          3HG2      ILE   4  -5.817 -30.985  -0.953
   41   1HD1  ILE   4          1HD1      ILE   4  -8.489 -30.639   2.618
   42   2HD1  ILE   4          2HD1      ILE   4  -7.077 -29.988   3.451
   43   3HD1  ILE   4          3HD1      ILE   4  -6.904 -31.375   2.375
   44    H    TRP   5           H        TRP   5  -2.655 -28.187   2.587
   45    HA   TRP   5           HA       TRP   5  -0.421 -28.190   1.996
   46   1HB   TRP   5          2HB       TRP   5  -0.916 -30.440   0.810
   47   2HB   TRP   5          1HB       TRP   5  -1.042 -29.468  -0.653
   48    HD1  TRP   5           HD       TRP   5   1.563 -29.856   2.215
   49    HE1  TRP   5           1HE      TRP   5   3.907 -29.818   1.153
   50    HE3  TRP   5           3HE      TRP   5   0.230 -29.169  -2.673
   51    HZ2  TRP   5           2HZ      TRP   5   5.041 -29.535  -1.417
   52    HZ3  TRP   5           3HZ      TRP   5   2.005 -29.024  -4.371
   53    HH2  TRP   5           HH       TRP   5   4.360 -29.203  -3.753
   54    H    GLN   6           H        GLN   6  -2.841 -27.559  -0.510
   55    HA   GLN   6           HA       GLN   6  -2.186 -24.838  -0.727
   56   1HB   GLN   6          2HB       GLN   6  -0.297 -26.358  -2.001
   57   2HB   GLN   6          1HB       GLN   6  -1.415 -26.006  -3.312
   58   1HG   GLN   6          2HG       GLN   6   0.189 -24.302  -3.375
   59   2HG   GLN   6          1HG       GLN   6  -1.236 -23.577  -2.635
   60   1HE2  GLN   6          1HE2      GLN   6   2.060 -24.347  -2.276
   61   2HE2  GLN   6          2HE2      GLN   6   2.266 -23.756  -0.666
   62    H    LEU   7           H        LEU   7  -3.515 -27.696  -2.289
   63    HA   LEU   7           HA       LEU   7  -5.513 -28.069  -3.314
   64   1HB   LEU   7          2HB       LEU   7  -6.390 -25.255  -2.785
   65   2HB   LEU   7          1HB       LEU   7  -7.354 -26.717  -2.859
   66    HG   LEU   7           HG       LEU   7  -5.603 -27.101  -0.704
   67   1HD1  LEU   7          1HD1      LEU   7  -4.996 -25.001  -0.163
   68   2HD1  LEU   7          2HD1      LEU   7  -6.604 -24.945   0.558
   69   3HD1  LEU   7          3HD1      LEU   7  -6.334 -24.270  -1.048
   70   1HD2  LEU   7          1HD2      LEU   7  -7.830 -27.965  -0.764
   71   2HD2  LEU   7          2HD2      LEU   7  -8.514 -26.341  -0.843
   72   3HD2  LEU   7          3HD2      LEU   7  -7.702 -26.886   0.625
   73    H    PHE   8           H        PHE   8  -4.934 -24.602  -3.932
   74    HA   PHE   8           HA       PHE   8  -5.130 -25.173  -6.805
   75   1HB   PHE   8          2HB       PHE   8  -5.744 -22.793  -5.116
   76   2HB   PHE   8          1HB       PHE   8  -5.228 -22.515  -6.777
   77    HD1  PHE   8           1HD      PHE   8  -7.117 -21.834  -7.920
   78    HD2  PHE   8           2HD      PHE   8  -7.352 -25.212  -5.344
   79    HE1  PHE   8           1HE      PHE   8  -9.409 -22.266  -8.704
   80    HE2  PHE   8           2HE      PHE   8  -9.645 -25.652  -6.122
   81    HZ   PHE   8           HZ       PHE   8 -10.676 -24.178  -7.805
   82    H    ASP   9           H        ASP   9  -3.351 -22.970  -4.658
   83    HA   ASP   9           HA       ASP   9  -1.037 -22.777  -4.460
   84   1HB   ASP   9          2HB       ASP   9  -0.927 -24.763  -6.236
   85   2HB   ASP   9          1HB       ASP   9  -0.453 -23.441  -7.298
   86    HA   PRO  10           HA       PRO  10  -0.674 -19.507  -8.087
   87   1HB   PRO  10          2HB       PRO  10  -3.469 -19.650  -9.099
   88   2HB   PRO  10          1HB       PRO  10  -1.965 -19.358  -9.981
   89   1HG   PRO  10          2HG       PRO  10  -3.196 -21.711 -10.141
   90   2HG   PRO  10          1HG       PRO  10  -1.426 -21.611 -10.069
   91   1HD   PRO  10          2HD       PRO  10  -3.374 -22.357  -7.932
   92   2HD   PRO  10          1HD       PRO  10  -1.766 -23.021  -8.278
   93    H    ARG  11           H        ARG  11  -3.742 -20.089  -6.437
   94    HA   ARG  11           HA       ARG  11  -4.390 -17.352  -6.040
   95   1HB   ARG  11          2HB       ARG  11  -5.815 -19.598  -5.821
   96   2HB   ARG  11          1HB       ARG  11  -5.375 -19.408  -4.129
   97   1HG   ARG  11          2HG       ARG  11  -7.228 -18.162  -4.023
   98   2HG   ARG  11          1HG       ARG  11  -6.212 -16.902  -4.728
   99   1HD   ARG  11          2HD       ARG  11  -7.825 -18.842  -6.369
  100   2HD   ARG  11          1HD       ARG  11  -8.436 -17.271  -5.854
  101    HE   ARG  11           HE       ARG  11  -6.029 -16.770  -7.095
  102   1HH1  ARG  11          1HH1      ARG  11  -9.074 -18.222  -7.989
  103   2HH1  ARG  11          2HH1      ARG  11  -8.949 -17.757  -9.652
  104   1HH2  ARG  11          1HH2      ARG  11  -5.864 -16.157  -9.281
  105   2HH2  ARG  11          2HH2      ARG  11  -7.127 -16.584 -10.386
  106    H    GLN  12           H        GLN  12  -2.927 -19.819  -3.939
  107    HA   GLN  12           HA       GLN  12  -2.630 -18.239  -1.655
  108   1HB   GLN  12          2HB       GLN  12  -2.136 -20.822  -2.213
  109   2HB   GLN  12          1HB       GLN  12  -0.491 -20.205  -2.249
  110   1HG   GLN  12          2HG       GLN  12  -2.247 -19.525   0.056
  111   2HG   GLN  12          1HG       GLN  12  -1.528 -21.131  -0.040
  112   1HE2  GLN  12          1HE2      GLN  12   0.723 -21.339   0.056
  113   2HE2  GLN  12          2HE2      GLN  12   1.725 -20.082   0.690
  114    H    ALA  13           H        ALA  13  -0.255 -18.911  -4.226
  115    HA   ALA  13           HA       ALA  13   1.750 -17.209  -3.225
  116   1HB   ALA  13          1HB       ALA  13   1.241 -18.184  -6.033
  117   2HB   ALA  13          2HB       ALA  13   2.293 -18.921  -4.824
  118   3HB   ALA  13          3HB       ALA  13   2.706 -17.350  -5.512
  119    H    LEU  14           H        LEU  14  -1.018 -16.636  -5.295
  120    HA   LEU  14           HA       LEU  14  -0.238 -14.051  -6.185
  121   1HB   LEU  14          2HB       LEU  14  -2.752 -15.647  -6.194
  122   2HB   LEU  14          1HB       LEU  14  -2.878 -13.918  -6.459
  123    HG   LEU  14           HG       LEU  14  -1.113 -15.725  -8.107
  124   1HD1  LEU  14          1HD1      LEU  14  -2.816 -15.706  -9.798
  125   2HD1  LEU  14          2HD1      LEU  14  -3.849 -14.677  -8.806
  126   3HD1  LEU  14          3HD1      LEU  14  -3.508 -16.332  -8.301
  127   1HD2  LEU  14          1HD2      LEU  14  -2.115 -12.920  -8.577
  128   2HD2  LEU  14          2HD2      LEU  14  -1.071 -13.852  -9.651
  129   3HD2  LEU  14          3HD2      LEU  14  -0.484 -13.353  -8.064
  130    H    VAL  15           H        VAL  15  -2.162 -15.241  -3.479
  131    HA   VAL  15           HA       VAL  15  -2.993 -12.680  -2.567
  132    HB   VAL  15           HB       VAL  15  -2.744 -15.221  -0.950
  133   1HG1  VAL  15          1HG1      VAL  15  -3.027 -13.279   0.451
  134   2HG1  VAL  15          2HG1      VAL  15  -4.537 -14.190   0.414
  135   3HG1  VAL  15          3HG1      VAL  15  -4.373 -12.716  -0.540
  136   1HG2  VAL  15          1HG2      VAL  15  -5.406 -14.498  -1.874
  137   2HG2  VAL  15          2HG2      VAL  15  -4.570 -16.050  -1.931
  138   3HG2  VAL  15          3HG2      VAL  15  -4.300 -14.856  -3.200
  139    H    GLY  16           H        GLY  16  -0.129 -14.616  -2.125
  140   1HA   GLY  16          2HA       GLY  16   0.832 -13.217   0.184
  141   2HA   GLY  16          1HA       GLY  16   1.762 -14.303  -0.841
  142    H    LEU  17           H        LEU  17   1.864 -13.246  -3.220
  143    HA   LEU  17           HA       LEU  17   3.655 -11.094  -2.990
  144   1HB   LEU  17          2HB       LEU  17   3.425 -10.988  -5.478
  145   2HB   LEU  17          1HB       LEU  17   3.844 -12.566  -4.839
  146    HG   LEU  17           HG       LEU  17   1.168 -12.828  -4.956
  147   1HD1  LEU  17          1HD1      LEU  17   1.547 -11.478  -7.540
  148   2HD1  LEU  17          2HD1      LEU  17   1.409 -10.420  -6.135
  149   3HD1  LEU  17          3HD1      LEU  17   0.126 -11.573  -6.500
  150   1HD2  LEU  17          1HD2      LEU  17   1.524 -14.074  -7.011
  151   2HD2  LEU  17          2HD2      LEU  17   2.857 -14.343  -5.889
  152   3HD2  LEU  17          3HD2      LEU  17   3.065 -13.254  -7.261
  153    H    ALA  18           H        ALA  18   0.299 -11.235  -4.133
  154    HA   ALA  18           HA       ALA  18  -0.026  -8.548  -4.785
  155   1HB   ALA  18          1HB       ALA  18  -2.407  -8.942  -4.634
  156   2HB   ALA  18          2HB       ALA  18  -2.133 -10.408  -3.693
  157   3HB   ALA  18          3HB       ALA  18  -1.618 -10.332  -5.379
  158    H    THR  19           H        THR  19  -0.671 -10.202  -1.696
  159    HA   THR  19           HA       THR  19  -1.577  -7.888  -0.344
  160    HB   THR  19           HB       THR  19  -0.403 -10.464   0.720
  161    HG1  THR  19           1HG      THR  19  -2.407 -10.604  -0.427
  162   1HG2  THR  19          1HG2      THR  19  -2.056  -9.543   2.673
  163   2HG2  THR  19          2HG2      THR  19  -1.262  -8.062   2.137
  164   3HG2  THR  19          3HG2      THR  19  -0.296  -9.431   2.691
  165    H    PHE  20           H        PHE  20   1.592  -9.295  -0.836
  166    HA   PHE  20           HA       PHE  20   3.032  -7.833   1.070
  167   1HB   PHE  20          2HB       PHE  20   3.675  -9.796  -0.674
  168   2HB   PHE  20          1HB       PHE  20   4.394  -8.415  -1.493
  169    HD1  PHE  20           1HD      PHE  20   6.392  -7.442  -0.719
  170    HD2  PHE  20           2HD      PHE  20   4.374 -10.336   1.659
  171    HE1  PHE  20           1HE      PHE  20   8.347  -7.576   0.770
  172    HE2  PHE  20           2HE      PHE  20   6.325 -10.476   3.152
  173    HZ   PHE  20           HZ       PHE  20   8.315  -9.094   2.708
  174    H    LEU  21           H        LEU  21   2.654  -7.176  -2.426
  175    HA   LEU  21           HA       LEU  21   3.927  -4.651  -2.287
  176   1HB   LEU  21          2HB       LEU  21   3.195  -4.310  -4.541
  177   2HB   LEU  21          1HB       LEU  21   3.700  -5.978  -4.364
  178    HG   LEU  21           HG       LEU  21   1.068  -6.275  -3.912
  179   1HD1  LEU  21          1HD1      LEU  21  -0.156  -4.880  -5.534
  180   2HD1  LEU  21          2HD1      LEU  21   1.305  -3.925  -5.783
  181   3HD1  LEU  21          3HD1      LEU  21   0.520  -3.941  -4.204
  182   1HD2  LEU  21          1HD2      LEU  21   2.784  -6.420  -6.313
  183   2HD2  LEU  21          2HD2      LEU  21   1.042  -6.511  -6.575
  184   3HD2  LEU  21          3HD2      LEU  21   1.837  -7.675  -5.515
  185    H    PHE  22           H        PHE  22   0.528  -5.637  -2.215
  186    HA   PHE  22           HA       PHE  22  -0.661  -3.125  -2.304
  187   1HB   PHE  22          2HB       PHE  22  -1.460  -5.813  -1.393
  188   2HB   PHE  22          1HB       PHE  22  -2.355  -4.486  -0.663
  189    HD1  PHE  22           1HD      PHE  22  -4.228  -3.711  -1.738
  190    HD2  PHE  22           2HD      PHE  22  -1.196  -5.643  -4.015
  191    HE1  PHE  22           1HE      PHE  22  -5.641  -3.554  -3.746
  192    HE2  PHE  22           2HE      PHE  22  -2.604  -5.489  -6.027
  193    HZ   PHE  22           HZ       PHE  22  -4.829  -4.442  -5.894
  194    H    VAL  23           H        VAL  23   0.292  -5.012   0.570
  195    HA   VAL  23           HA       VAL  23  -0.486  -3.069   2.443
  196    HB   VAL  23           HB       VAL  23   0.757  -4.331   4.069
  197   1HG1  VAL  23          1HG1      VAL  23  -0.919  -5.715   2.078
  198   2HG1  VAL  23          2HG1      VAL  23  -1.146  -5.526   3.816
  199   3HG1  VAL  23          3HG1      VAL  23  -0.028  -6.743   3.198
  200   1HG2  VAL  23          1HG2      VAL  23   2.126  -6.302   3.358
  201   2HG2  VAL  23          2HG2      VAL  23   2.837  -4.732   2.986
  202   3HG2  VAL  23          3HG2      VAL  23   2.054  -5.670   1.716
  203    H    LEU  24           H        LEU  24   2.722  -3.838   1.108
  204    HA   LEU  24           HA       LEU  24   4.207  -1.947   2.490
  205   1HB   LEU  24          2HB       LEU  24   4.872  -3.846   0.796
  206   2HB   LEU  24          1HB       LEU  24   4.816  -2.540  -0.373
  207    HG   LEU  24           HG       LEU  24   7.088  -2.926   0.457
  208   1HD1  LEU  24          1HD1      LEU  24   6.124  -0.305   1.556
  209   2HD1  LEU  24          2HD1      LEU  24   6.156  -0.634  -0.177
  210   3HD1  LEU  24          3HD1      LEU  24   7.652  -0.674   0.756
  211   1HD2  LEU  24          1HD2      LEU  24   6.388  -1.828   3.123
  212   2HD2  LEU  24          2HD2      LEU  24   7.684  -2.930   2.655
  213   3HD2  LEU  24          3HD2      LEU  24   6.032  -3.528   2.815
  214    H    ALA  25           H        ALA  25   2.973  -1.640  -0.836
  215    HA   ALA  25           HA       ALA  25   3.582   1.062  -1.168
  216   1HB   ALA  25          1HB       ALA  25   1.953   1.015  -3.016
  217   2HB   ALA  25          2HB       ALA  25   1.396  -0.563  -2.462
  218   3HB   ALA  25          3HB       ALA  25   3.048  -0.366  -3.047
  219    H    LEU  26           H        LEU  26   0.825  -0.503   0.325
  220    HA   LEU  26           HA       LEU  26  -0.882   1.745   0.425
  221   1HB   LEU  26          2HB       LEU  26  -0.725  -0.875   1.823
  222   2HB   LEU  26          1HB       LEU  26  -1.709   0.375   2.559
  223    HG   LEU  26           HG       LEU  26  -2.075  -0.462  -0.308
  224   1HD1  LEU  26          1HD1      LEU  26  -3.868  -1.918   0.418
  225   2HD1  LEU  26          2HD1      LEU  26  -3.526  -1.537   2.106
  226   3HD1  LEU  26          3HD1      LEU  26  -2.343  -2.425   1.145
  227   1HD2  LEU  26          1HD2      LEU  26  -4.258   0.544  -0.041
  228   2HD2  LEU  26          2HD2      LEU  26  -3.007   1.708   0.398
  229   3HD2  LEU  26          3HD2      LEU  26  -3.925   0.882   1.657
  230    H    LEU  27           H        LEU  27   1.441   0.415   2.753
  231    HA   LEU  27           HA       LEU  27   0.995   2.282   4.799
  232   1HB   LEU  27          2HB       LEU  27   3.160   0.374   4.096
  233   2HB   LEU  27          1HB       LEU  27   3.543   1.632   5.255
  234   1HD1  LEU  27          1HD2      LEU  27   1.187  -1.403   4.896
  235   2HD1  LEU  27          2HD2      LEU  27   0.311   0.125   4.801
  236   3HD1  LEU  27          3HD2      LEU  27   0.273  -0.822   6.288
  237   1HD2  LEU  27          1HD1      LEU  27   3.831  -1.048   5.744
  238   2HD2  LEU  27          2HD1      LEU  27   2.621  -1.647   6.879
  239   3HD2  LEU  27          3HD1      LEU  27   3.664  -0.299   7.332
  240    H    ILE  28           H        ILE  28   3.614   2.202   2.361
  241    HA   ILE  28           HA       ILE  28   4.730   4.671   3.070
  242    HB   ILE  28           HB       ILE  28   5.809   4.622   0.857
  243   1HG1  ILE  28          2HG1      ILE  28   4.031   2.219   0.415
  244   2HG1  ILE  28          1HG1      ILE  28   4.018   3.721  -0.501
  245   1HG2  ILE  28          1HG2      ILE  28   7.175   2.736   1.272
  246   2HG2  ILE  28          2HG2      ILE  28   5.869   1.888   2.099
  247   3HG2  ILE  28          3HG2      ILE  28   6.613   3.304   2.845
  248   1HD1  ILE  28          1HD1      ILE  28   5.252   2.523  -1.940
  249   2HD1  ILE  28          2HD1      ILE  28   5.803   1.398  -0.699
  250   3HD1  ILE  28          3HD1      ILE  28   6.573   2.976  -0.863
  251    H    HIS  29           H        HIS  29   2.347   3.836   0.575
  252    HA   HIS  29           HA       HIS  29   2.066   6.410  -0.510
  253   1HB   HIS  29          2HB       HIS  29   1.236   4.311  -1.571
  254   2HB   HIS  29          1HB       HIS  29  -0.048   4.253  -0.367
  255    HD1  HIS  29           1HD      HIS  29   1.191   7.104  -2.574
  256    HD2  HIS  29           2HD      HIS  29  -2.295   5.047  -1.634
  257    HE1  HIS  29           1HE      HIS  29  -0.635   8.252  -3.867
  258    HE2  HIS  29           2HE      HIS  29  -2.748   7.045  -3.213
  259    H    PHE  30           H        PHE  30   0.527   4.820   2.211
  260    HA   PHE  30           HA       PHE  30  -1.483   6.742   2.677
  261   1HB   PHE  30          2HB       PHE  30  -1.555   4.470   3.618
  262   2HB   PHE  30          1HB       PHE  30  -0.170   4.847   4.636
  263    HD1  PHE  30           1HD      PHE  30  -3.747   5.286   4.139
  264    HD2  PHE  30           2HD      PHE  30  -0.397   6.361   6.533
  265    HE1  PHE  30           1HE      PHE  30  -5.267   6.122   5.885
  266    HE2  PHE  30           2HE      PHE  30  -1.910   7.198   8.282
  267    HZ   PHE  30           HZ       PHE  30  -4.349   7.079   7.960
  268    H    ILE  31           H        ILE  31   1.821   6.392   3.961
  269    HA   ILE  31           HA       ILE  31   1.606   8.548   5.779
  270    HB   ILE  31           HB       ILE  31   3.474   6.619   5.397
  271   1HG1  ILE  31          2HG1      ILE  31   3.067   7.845   7.469
  272   2HG1  ILE  31          1HG1      ILE  31   4.791   7.784   7.118
  273   1HG2  ILE  31          1HG2      ILE  31   4.450   7.688   3.453
  274   2HG2  ILE  31          2HG2      ILE  31   5.590   7.691   4.795
  275   3HG2  ILE  31          3HG2      ILE  31   4.720   9.165   4.376
  276   1HD1  ILE  31          1HD1      ILE  31   4.358   9.965   7.861
  277   2HD1  ILE  31          2HD1      ILE  31   2.920  10.111   6.848
  278   3HD1  ILE  31          3HD1      ILE  31   4.522  10.087   6.109
  279    H    LEU  32           H        LEU  32   3.004   8.328   2.497
  280    HA   LEU  32           HA       LEU  32   3.688  11.059   2.320
  281   1HB   LEU  32          2HB       LEU  32   3.825  10.706  -0.091
  282   2HB   LEU  32          1HB       LEU  32   4.617   9.410   0.782
  283    HG   LEU  32           HG       LEU  32   2.410   8.114   0.456
  284   1HD1  LEU  32          1HD1      LEU  32   1.601   9.059  -1.964
  285   2HD1  LEU  32          2HD1      LEU  32   1.918  10.556  -1.088
  286   3HD1  LEU  32          3HD1      LEU  32   0.784   9.375  -0.435
  287   1HD2  LEU  32          1HD2      LEU  32   3.168   7.780  -2.075
  288   2HD2  LEU  32          2HD2      LEU  32   4.115   7.173  -0.717
  289   3HD2  LEU  32          3HD2      LEU  32   4.564   8.689  -1.497
  290    H    LEU  33           H        LEU  33   0.740   9.304   1.996
  291    HA   LEU  33           HA       LEU  33  -0.799  11.155   0.549
  292   1HB   LEU  33          2HB       LEU  33  -1.214   8.712   1.926
  293   2HB   LEU  33          1HB       LEU  33  -2.373   9.862   2.565
  294    HG   LEU  33           HG       LEU  33  -2.734  10.350  -0.012
  295   1HD1  LEU  33          1HD1      LEU  33  -1.820   7.477   0.087
  296   2HD1  LEU  33          2HD1      LEU  33  -1.078   8.795  -0.819
  297   3HD1  LEU  33          3HD1      LEU  33  -2.681   8.214  -1.264
  298   1HD2  LEU  33          1HD2      LEU  33  -4.619   8.740   0.067
  299   2HD2  LEU  33          2HD2      LEU  33  -4.495   9.734   1.518
  300   3HD2  LEU  33          3HD2      LEU  33  -3.935   8.062   1.544
  301    H    SER  34           H        SER  34  -0.857  10.524   4.042
  302    HA   SER  34           HA       SER  34  -2.182  12.886   4.749
  303   1HB   SER  34          2HB       SER  34  -0.431  10.967   6.272
  304   2HB   SER  34          1HB       SER  34  -1.064  12.422   7.042
  305    HG   SER  34           HG       SER  34  -2.317  10.092   6.491
  306    H    THR  35           H        THR  35   1.063  12.313   3.765
  307    HA   THR  35           HA       THR  35   2.255  14.545   5.112
  308    HB   THR  35           HB       THR  35   3.164  13.004   2.673
  309    HG1  THR  35           1HG      THR  35   3.660  12.743   5.436
  310   1HG2  THR  35          1HG2      THR  35   4.975  14.260   2.509
  311   2HG2  THR  35          2HG2      THR  35   5.270  14.169   4.246
  312   3HG2  THR  35          3HG2      THR  35   4.198  15.410   3.597
  313    H    GLU  36           H        GLU  36   1.588  14.036   1.646
  314    HA   GLU  36           HA       GLU  36   1.951  16.711   0.894
  315   1HB   GLU  36          2HB       GLU  36   1.796  14.562  -0.558
  316   2HB   GLU  36          1HB       GLU  36   0.065  14.871  -0.550
  317   1HG   GLU  36          2HG       GLU  36   0.230  16.599  -1.968
  318   2HG   GLU  36          1HG       GLU  36   1.732  17.181  -1.250
  319    H    ARG  37           H        ARG  37  -0.914  14.932   1.927
  320    HA   ARG  37           HA       ARG  37  -2.799  16.961   1.370
  321   1HB   ARG  37          2HB       ARG  37  -2.953  14.374   2.237
  322   2HB   ARG  37          1HB       ARG  37  -3.356  15.252   3.706
  323   1HG   ARG  37          2HG       ARG  37  -5.439  15.141   2.876
  324   2HG   ARG  37          1HG       ARG  37  -4.922  16.549   1.946
  325   1HD   ARG  37          2HD       ARG  37  -4.919  15.417   0.003
  326   2HD   ARG  37          1HD       ARG  37  -4.234  13.967   0.736
  327    HE   ARG  37           HE       ARG  37  -6.984  14.436   1.436
  328   1HH1  ARG  37          1HH1      ARG  37  -4.828  13.001  -0.904
  329   2HH1  ARG  37          2HH1      ARG  37  -6.001  11.862  -1.473
  330   1HH2  ARG  37          1HH2      ARG  37  -8.529  12.939   0.688
  331   2HH2  ARG  37          2HH2      ARG  37  -8.103  11.827  -0.570
  332    H    PHE  38           H        PHE  38  -0.730  16.272   4.121
  333    HA   PHE  38           HA       PHE  38  -1.864  18.084   5.950
  334   1HB   PHE  38          2HB       PHE  38   0.627  16.542   5.729
  335   2HB   PHE  38          1HB       PHE  38   0.803  18.051   6.617
  336    HD1  PHE  38           1HD      PHE  38   1.050  17.362   8.821
  337    HD2  PHE  38           2HD      PHE  38  -2.134  15.782   6.480
  338    HE1  PHE  38           1HE      PHE  38   0.109  16.295  10.828
  339    HE2  PHE  38           2HE      PHE  38  -3.080  14.712   8.484
  340    HZ   PHE  38           HZ       PHE  38  -1.958  14.968  10.660
  341    H    ASN  39           H        ASN  39   1.146  18.470   4.065
  342    HA   ASN  39           HA       ASN  39   1.421  21.221   4.547
  343   1HB   ASN  39          2HB       ASN  39   2.921  21.157   2.500
  344   2HB   ASN  39          1HB       ASN  39   3.335  20.039   3.796
  345   1HD2  ASN  39          1HD2      ASN  39   1.498  20.231   0.777
  346   2HD2  ASN  39          2HD2      ASN  39   1.826  18.613   0.273
  347    H    TRP  40           H        TRP  40  -0.686  19.530   2.480
  348    HA   TRP  40           HA       TRP  40  -1.088  21.508   0.473
  349   1HB   TRP  40          2HB       TRP  40  -1.686  19.185   0.041
  350   2HB   TRP  40          1HB       TRP  40  -2.847  19.208   1.363
  351    HD1  TRP  40           HD       TRP  40  -4.982  21.003   0.971
  352    HE1  TRP  40           1HE      TRP  40  -6.257  21.488  -1.211
  353    HE3  TRP  40           3HE      TRP  40  -1.531  19.284  -2.387
  354    HZ2  TRP  40           2HZ      TRP  40  -5.854  21.184  -3.989
  355    HZ3  TRP  40           3HZ      TRP  40  -2.054  19.416  -4.788
  356    HH2  TRP  40           HH       TRP  40  -4.172  20.346  -5.570
  357    H    LEU  41           H        LEU  41  -3.445  20.350   2.858
  358    HA   LEU  41           HA       LEU  41  -4.972  22.719   2.812
  359   1HB   LEU  41          2HB       LEU  41  -5.958  20.652   3.571
  360   2HB   LEU  41          1HB       LEU  41  -4.773  20.503   4.855
  361    HG   LEU  41           HG       LEU  41  -6.315  22.984   5.003
  362   1HD1  LEU  41          1HD1      LEU  41  -7.700  20.346   4.893
  363   2HD1  LEU  41          2HD1      LEU  41  -8.220  21.918   4.285
  364   3HD1  LEU  41          3HD1      LEU  41  -8.272  21.581   6.016
  365   1HD2  LEU  41          1HD2      LEU  41  -4.750  21.859   6.711
  366   2HD2  LEU  41          2HD2      LEU  41  -6.129  20.818   7.063
  367   3HD2  LEU  41          3HD2      LEU  41  -6.262  22.561   7.289
  368    H    GLU  42           H        GLU  42  -1.996  21.908   4.255
  369    HA   GLU  42           HA       GLU  42  -2.038  23.544   6.513
  370   1HB   GLU  42          2HB       GLU  42   0.003  22.154   4.951
  371   2HB   GLU  42          1HB       GLU  42   0.586  23.568   5.807
  372   1HG   GLU  42          2HG       GLU  42  -0.080  22.677   7.903
  373   2HG   GLU  42          1HG       GLU  42  -0.965  21.361   7.131
  374    H    GLY  43           H        GLY  43  -0.300  24.134   3.463
  375   1HA   GLY  43          2HA       GLY  43  -1.307  26.797   3.208
  376   2HA   GLY  43          1HA       GLY  43   0.334  26.781   3.835
  377    H    ALA  44           H        ALA  44  -1.704  26.052   1.085
  378    HA   ALA  44           HA       ALA  44   0.329  25.033  -0.597
  379   1HB   ALA  44          1HB       ALA  44  -2.345  25.145  -0.798
  380   2HB   ALA  44          2HB       ALA  44  -1.281  24.870  -2.177
  381   3HB   ALA  44          3HB       ALA  44  -1.911  26.485  -1.859
  382    H    SER  45           H        SER  45   2.049  26.536  -0.115
  383    HA   SER  45           HA       SER  45   3.496  28.100  -0.955
  384   1HB   SER  45          2HB       SER  45   2.067  27.895  -3.105
  385   2HB   SER  45          1HB       SER  45   1.292  29.381  -2.557
  386    H    THR  46           H        THR  46   1.943  28.351   1.428
  387    HA   THR  46           HA       THR  46   2.167  31.234   1.784
  388    HB   THR  46           HB       THR  46   0.003  31.548   2.663
  389    HG1  THR  46           1HG      THR  46  -0.189  29.678   3.895
  390   1HG2  THR  46          1HG2      THR  46  -1.550  30.807   0.965
  391   2HG2  THR  46          2HG2      THR  46  -0.370  29.639   0.370
  392   3HG2  THR  46          3HG2      THR  46  -0.049  31.367   0.228
  393    H    LYS  47           H        LYS  47   3.185  28.367   2.795
  394    HA   LYS  47           HA       LYS  47   3.919  29.361   5.375
  395   1HB   LYS  47          2HB       LYS  47   1.865  28.620   6.187
  396   2HB   LYS  47          1HB       LYS  47   1.840  27.211   5.142
  397   1HG   LYS  47          2HG       LYS  47   3.289  26.015   6.513
  398   2HG   LYS  47          1HG       LYS  47   3.883  27.471   7.315
  399   1HD   LYS  47          2HD       LYS  47   2.448  26.327   8.846
  400   2HD   LYS  47          1HD       LYS  47   1.598  27.769   8.288
  401   1HE   LYS  47          2HE       LYS  47   0.734  26.016   6.457
  402   2HE   LYS  47          1HE       LYS  47   1.023  24.908   7.798
  403   1HZ   LYS  47          1HZ       LYS  47  -0.300  26.752   9.095
  404   2HZ   LYS  47          2HZ       LYS  47  -1.103  25.530   8.245
  405   3HZ   LYS  47          3HZ       LYS  47  -0.936  27.067   7.558
  406    HA   PRO  48           HA       PRO  48   5.948  24.949   4.832
  407   1HB   PRO  48          2HB       PRO  48   5.408  23.838   2.340
  408   2HB   PRO  48          1HB       PRO  48   4.653  23.351   3.861
  409   1HG   PRO  48          2HG       PRO  48   3.631  25.189   1.739
  410   2HG   PRO  48          1HG       PRO  48   2.754  23.986   2.702
  411   1HD   PRO  48          2HD       PRO  48   2.582  26.594   3.264
  412   2HD   PRO  48          1HD       PRO  48   2.631  25.379   4.559
  413    H    VAL  49           H        VAL  49   5.471  25.862   1.430
  414    HA   VAL  49           HA       VAL  49   8.343  26.371   1.215
  415    HB   VAL  49           HB       VAL  49   6.391  26.395  -1.076
  416   1HG1  VAL  49          1HG1      VAL  49   9.322  26.371  -0.741
  417   2HG1  VAL  49          2HG1      VAL  49   8.328  27.080  -2.014
  418   3HG1  VAL  49          3HG1      VAL  49   8.679  25.351  -2.027
  419   1HG2  VAL  49          1HG2      VAL  49   7.416  24.087   0.472
  420   2HG2  VAL  49          2HG2      VAL  49   7.408  23.938  -1.285
  421   3HG2  VAL  49          3HG2      VAL  49   5.907  24.273  -0.421
  422    H    GLN  50           H        GLN  50   9.070  28.238  -0.079
  423    HA   GLN  50           HA       GLN  50   9.297  30.511  -0.184
  424   1HB   GLN  50          2HB       GLN  50   6.393  30.557  -0.965
  425   2HB   GLN  50          1HB       GLN  50   7.696  31.583  -1.543
  426   1HG   GLN  50          2HG       GLN  50   7.211  28.692  -2.197
  427   2HG   GLN  50          1HG       GLN  50   7.123  30.077  -3.284
  428   1HE2  GLN  50          1HE2      GLN  50   8.631  27.970  -4.010
  429   2HE2  GLN  50          2HE2      GLN  50  10.311  28.357  -3.904
  430    H    THR  51           H        THR  51   7.608  32.636   0.202
  431    HA   THR  51           HA       THR  51   6.773  34.012   1.809
  432    HB   THR  51           HB       THR  51   5.805  31.850   3.568
  433    HG1  THR  51           1HG      THR  51   4.259  31.165   2.064
  434   1HG2  THR  51          1HG2      THR  51   3.608  33.134   2.776
  435   2HG2  THR  51          2HG2      THR  51   4.804  34.391   2.461
  436   3HG2  THR  51          3HG2      THR  51   4.645  33.710   4.080
  437    H    SER  52           H        SER  52   9.473  33.040   2.028
  438    HA   SER  52           HA       SER  52   9.921  32.688   4.883
  439   1HB   SER  52          2HB       SER  52  11.786  32.687   2.504
  440   2HB   SER  52          1HB       SER  52  12.345  32.543   4.170
  441    HG   SER  52           HG       SER  52  10.786  30.711   4.261
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   8.356 -31.383 -13.426
    2    HA   MET   1           HA       MET   1   9.732 -29.846 -11.478
    3   1HB   MET   1          2HB       MET   1  11.094 -29.089 -13.369
    4   2HB   MET   1          1HB       MET   1   9.643 -28.586 -14.228
    5   1HG   MET   1          2HG       MET   1  10.092 -26.575 -13.382
    6   2HG   MET   1          1HG       MET   1   9.380 -27.215 -11.902
    7   1HE   MET   1          1HE       MET   1  12.843 -25.055 -12.403
    8   2HE   MET   1          2HE       MET   1  11.945 -24.852 -10.899
    9   3HE   MET   1          3HE       MET   1  11.089 -24.887 -12.440
   10    H    TRP   2           H        TRP   2   7.602 -28.990 -14.208
   11    HA   TRP   2           HA       TRP   2   5.621 -27.823 -14.226
   12   1HB   TRP   2          2HB       TRP   2   5.232 -30.259 -12.537
   13   2HB   TRP   2          1HB       TRP   2   3.900 -29.120 -12.703
   14    HD1  TRP   2           HD       TRP   2   5.654 -31.906 -14.500
   15    HE1  TRP   2           1HE      TRP   2   4.541 -32.300 -16.788
   16    HE3  TRP   2           3HE      TRP   2   2.688 -27.745 -14.690
   17    HZ2  TRP   2           2HZ      TRP   2   2.657 -31.017 -18.452
   18    HZ3  TRP   2           3HZ      TRP   2   1.261 -27.403 -16.665
   19    HH2  TRP   2           HH       TRP   2   1.247 -29.006 -18.507
   20    H    ARG   3           H        ARG   3   7.492 -26.702 -12.347
   21    HA   ARG   3           HA       ARG   3   7.616 -25.251 -10.594
   22   1HB   ARG   3          2HB       ARG   3   4.687 -24.747 -11.095
   23   2HB   ARG   3          1HB       ARG   3   5.883 -23.624 -10.464
   24   1HG   ARG   3          2HG       ARG   3   7.045 -23.835 -12.711
   25   2HG   ARG   3          1HG       ARG   3   5.573 -24.629 -13.274
   26   1HD   ARG   3          2HD       ARG   3   4.515 -22.451 -12.098
   27   2HD   ARG   3          1HD       ARG   3   6.073 -21.797 -12.601
   28    HE   ARG   3           HE       ARG   3   5.379 -21.902 -14.782
   29   1HH1  ARG   3          1HH1      ARG   3   3.204 -23.785 -12.806
   30   2HH1  ARG   3          2HH1      ARG   3   2.060 -24.034 -14.081
   31   1HH2  ARG   3          1HH2      ARG   3   3.874 -22.226 -16.460
   32   2HH2  ARG   3          2HH2      ARG   3   2.439 -23.149 -16.156
   33    H    ILE   4           H        ILE   4   7.366 -27.778  -9.672
   34    HA   ILE   4           HA       ILE   4   6.670 -29.100  -7.940
   35    HB   ILE   4           HB       ILE   4   6.288 -26.496  -6.473
   36   1HG1  ILE   4          2HG1      ILE   4   8.420 -26.384  -7.639
   37   2HG1  ILE   4          1HG1      ILE   4   8.700 -26.636  -5.919
   38   1HG2  ILE   4          1HG2      ILE   4   7.422 -28.105  -4.695
   39   2HG2  ILE   4          2HG2      ILE   4   6.670 -29.336  -5.709
   40   3HG2  ILE   4          3HG2      ILE   4   5.679 -28.083  -4.960
   41   1HD1  ILE   4          1HD1      ILE   4   8.596 -29.194  -6.962
   42   2HD1  ILE   4          2HD1      ILE   4  10.044 -28.294  -6.511
   43   3HD1  ILE   4          3HD1      ILE   4   9.468 -28.262  -8.177
   44    H    TRP   5           H        TRP   5   4.575 -28.176  -9.763
   45    HA   TRP   5           HA       TRP   5   2.349 -28.809  -9.886
   46   1HB   TRP   5          2HB       TRP   5   2.758 -29.776  -7.450
   47   2HB   TRP   5          1HB       TRP   5   1.839 -28.350  -6.980
   48    HD1  TRP   5           HD       TRP   5   0.990 -30.243 -10.195
   49    HE1  TRP   5           1HE      TRP   5  -1.332 -31.321  -9.926
   50    HE3  TRP   5           3HE      TRP   5   0.198 -29.244  -5.244
   51    HZ2  TRP   5           2HZ      TRP   5  -3.246 -31.696  -7.886
   52    HZ3  TRP   5           3HZ      TRP   5  -1.905 -29.996  -4.211
   53    HH2  TRP   5           HH       TRP   5  -3.591 -31.196  -5.507
   54    H    GLN   6           H        GLN   6   3.247 -26.225  -7.630
   55    HA   GLN   6           HA       GLN   6   2.066 -24.210  -9.207
   56   1HB   GLN   6          2HB       GLN   6   0.258 -23.560  -7.555
   57   2HB   GLN   6          1HB       GLN   6  -0.067 -24.984  -8.534
   58   1HG   GLN   6          2HG       GLN   6   1.000 -26.211  -6.450
   59   2HG   GLN   6          1HG       GLN   6   0.450 -24.754  -5.625
   60   1HE2  GLN   6          1HE2      GLN   6  -1.354 -25.221  -4.594
   61   2HE2  GLN   6          2HE2      GLN   6  -2.702 -26.085  -5.243
   62    H    LEU   7           H        LEU   7   4.486 -24.802  -7.669
   63    HA   LEU   7           HA       LEU   7   6.018 -23.733  -6.379
   64   1HB   LEU   7          2HB       LEU   7   4.163 -21.444  -6.999
   65   2HB   LEU   7          1HB       LEU   7   5.637 -21.232  -6.074
   66    HG   LEU   7           HG       LEU   7   5.858 -22.564  -8.725
   67   1HD1  LEU   7          1HD1      LEU   7   6.140 -20.190  -9.676
   68   2HD1  LEU   7          2HD1      LEU   7   5.160 -19.683  -8.301
   69   3HD1  LEU   7          3HD1      LEU   7   4.509 -20.827  -9.474
   70   1HD2  LEU   7          1HD2      LEU   7   7.994 -21.494  -8.754
   71   2HD2  LEU   7          2HD2      LEU   7   7.774 -22.217  -7.160
   72   3HD2  LEU   7          3HD2      LEU   7   7.565 -20.479  -7.377
   73    H    PHE   8           H        PHE   8   3.301 -21.776  -5.235
   74    HA   PHE   8           HA       PHE   8   3.303 -23.233  -2.696
   75   1HB   PHE   8          2HB       PHE   8   3.425 -20.219  -2.772
   76   2HB   PHE   8          1HB       PHE   8   3.577 -21.272  -1.370
   77    HD1  PHE   8           1HD      PHE   8   5.278 -19.841  -4.255
   78    HD2  PHE   8           2HD      PHE   8   5.640 -22.481  -0.938
   79    HE1  PHE   8           1HE      PHE   8   7.725 -19.827  -4.516
   80    HE2  PHE   8           2HE      PHE   8   8.087 -22.471  -1.191
   81    HZ   PHE   8           HZ       PHE   8   9.133 -21.143  -2.982
   82    H    ASP   9           H        ASP   9   1.434 -23.189  -4.861
   83    HA   ASP   9           HA       ASP   9  -0.850 -23.327  -4.988
   84   1HB   ASP   9          2HB       ASP   9  -0.609 -23.119  -2.324
   85   2HB   ASP   9          1HB       ASP   9  -1.373 -21.567  -2.651
   86    HA   PRO  10           HA       PRO  10  -1.204 -19.577  -7.365
   87   1HB   PRO  10          2HB       PRO  10  -4.031 -20.410  -7.676
   88   2HB   PRO  10          1HB       PRO  10  -2.816 -20.068  -8.912
   89   1HG   PRO  10          2HG       PRO  10  -3.586 -22.571  -8.390
   90   2HG   PRO  10          1HG       PRO  10  -1.900 -22.190  -8.786
   91   1HD   PRO  10          2HD       PRO  10  -3.140 -22.767  -6.126
   92   2HD   PRO  10          1HD       PRO  10  -1.560 -23.263  -6.767
   93    H    ARG  11           H        ARG  11  -3.647 -20.483  -4.975
   94    HA   ARG  11           HA       ARG  11  -4.788 -17.878  -4.771
   95   1HB   ARG  11          2HB       ARG  11  -5.669 -20.289  -4.046
   96   2HB   ARG  11          1HB       ARG  11  -4.989 -19.793  -2.502
   97   1HG   ARG  11          2HG       ARG  11  -6.858 -17.992  -3.986
   98   2HG   ARG  11          1HG       ARG  11  -7.473 -19.318  -2.997
   99   1HD   ARG  11          2HD       ARG  11  -5.429 -17.635  -1.715
  100   2HD   ARG  11          1HD       ARG  11  -6.953 -16.822  -2.072
  101    HE   ARG  11           HE       ARG  11  -7.452 -19.305  -0.827
  102   1HH1  ARG  11          1HH1      ARG  11  -6.266 -16.101  -0.119
  103   2HH1  ARG  11          2HH1      ARG  11  -6.761 -16.148   1.538
  104   1HH2  ARG  11          1HH2      ARG  11  -8.106 -19.369   1.354
  105   2HH2  ARG  11          2HH2      ARG  11  -7.805 -18.003   2.376
  106    H    GLN  12           H        GLN  12  -2.850 -19.741  -2.419
  107    HA   GLN  12           HA       GLN  12  -2.388 -17.623  -0.660
  108   1HB   GLN  12          2HB       GLN  12  -0.579 -19.989  -1.169
  109   2HB   GLN  12          1HB       GLN  12  -0.603 -18.988   0.276
  110   1HG   GLN  12          2HG       GLN  12  -3.009 -20.532  -0.628
  111   2HG   GLN  12          1HG       GLN  12  -1.759 -21.247   0.388
  112   1HE2  GLN  12          1HE2      GLN  12  -1.128 -19.524   2.211
  113   2HE2  GLN  12          2HE2      GLN  12  -2.487 -18.982   3.130
  114    H    ALA  13           H        ALA  13  -0.497 -18.749  -3.423
  115    HA   ALA  13           HA       ALA  13   1.706 -17.030  -3.051
  116   1HB   ALA  13          1HB       ALA  13   1.736 -19.046  -4.479
  117   2HB   ALA  13          2HB       ALA  13   2.335 -17.609  -5.307
  118   3HB   ALA  13          3HB       ALA  13   0.710 -18.207  -5.642
  119    H    LEU  14           H        LEU  14  -1.257 -16.692  -4.976
  120    HA   LEU  14           HA       LEU  14  -0.544 -14.217  -6.152
  121   1HB   LEU  14          2HB       LEU  14  -3.141 -15.668  -5.764
  122   2HB   LEU  14          1HB       LEU  14  -3.113 -14.051  -6.440
  123    HG   LEU  14           HG       LEU  14  -1.552 -16.341  -7.623
  124   1HD1  LEU  14          1HD1      LEU  14  -3.297 -16.844  -9.064
  125   2HD1  LEU  14          2HD1      LEU  14  -4.141 -15.331  -8.732
  126   3HD1  LEU  14          3HD1      LEU  14  -4.117 -16.613  -7.519
  127   1HD2  LEU  14          1HD2      LEU  14  -2.502 -13.909  -9.070
  128   2HD2  LEU  14          2HD2      LEU  14  -1.120 -14.951  -9.409
  129   3HD2  LEU  14          3HD2      LEU  14  -1.059 -13.818  -8.059
  130    H    VAL  15           H        VAL  15  -2.523 -15.030  -3.316
  131    HA   VAL  15           HA       VAL  15  -3.138 -12.330  -2.678
  132    HB   VAL  15           HB       VAL  15  -3.894 -13.195  -0.506
  133   1HG1  VAL  15          1HG1      VAL  15  -4.750 -14.332  -3.088
  134   2HG1  VAL  15          2HG1      VAL  15  -5.668 -13.429  -1.882
  135   3HG1  VAL  15          3HG1      VAL  15  -5.352 -15.148  -1.646
  136   1HG2  VAL  15          1HG2      VAL  15  -3.833 -15.810  -0.382
  137   2HG2  VAL  15          2HG2      VAL  15  -2.456 -14.858   0.176
  138   3HG2  VAL  15          3HG2      VAL  15  -2.415 -15.622  -1.413
  139    H    GLY  16           H        GLY  16  -0.405 -14.373  -2.063
  140   1HA   GLY  16          2HA       GLY  16   0.589 -12.919   0.199
  141   2HA   GLY  16          1HA       GLY  16   1.480 -14.093  -0.760
  142    H    LEU  17           H        LEU  17   1.680 -13.143  -3.169
  143    HA   LEU  17           HA       LEU  17   3.570 -11.048  -2.993
  144   1HB   LEU  17          2HB       LEU  17   2.150 -11.650  -5.552
  145   2HB   LEU  17          1HB       LEU  17   3.836 -11.257  -5.291
  146    HG   LEU  17           HG       LEU  17   2.960 -13.806  -4.130
  147   1HD1  LEU  17          1HD1      LEU  17   3.437 -13.897  -7.047
  148   2HD1  LEU  17          2HD1      LEU  17   1.840 -13.391  -6.497
  149   3HD1  LEU  17          3HD1      LEU  17   2.480 -14.964  -6.020
  150   1HD2  LEU  17          1HD2      LEU  17   5.248 -13.321  -5.990
  151   2HD2  LEU  17          2HD2      LEU  17   5.105 -14.496  -4.683
  152   3HD2  LEU  17          3HD2      LEU  17   5.315 -12.785  -4.312
  153    H    ALA  18           H        ALA  18   0.368 -11.202  -4.431
  154    HA   ALA  18           HA       ALA  18   0.059  -8.563  -5.196
  155   1HB   ALA  18          1HB       ALA  18  -2.196 -10.221  -4.102
  156   2HB   ALA  18          2HB       ALA  18  -1.472 -10.508  -5.683
  157   3HB   ALA  18          3HB       ALA  18  -2.263  -8.969  -5.342
  158    H    THR  19           H        THR  19  -1.037  -9.978  -2.089
  159    HA   THR  19           HA       THR  19  -1.900  -7.502  -1.028
  160    HB   THR  19           HB       THR  19  -1.074  -9.993   0.470
  161    HG1  THR  19           1HG      THR  19  -3.599  -9.186  -0.536
  162   1HG2  THR  19          1HG2      THR  19  -1.299  -8.419   2.138
  163   2HG2  THR  19          2HG2      THR  19  -2.920  -9.108   2.036
  164   3HG2  THR  19          3HG2      THR  19  -2.576  -7.548   1.287
  165    H    PHE  20           H        PHE  20   1.156  -9.242  -0.833
  166    HA   PHE  20           HA       PHE  20   2.393  -7.710   1.152
  167   1HB   PHE  20          2HB       PHE  20   3.300  -9.842   0.333
  168   2HB   PHE  20          1HB       PHE  20   3.671  -9.093  -1.215
  169    HD1  PHE  20           1HD      PHE  20   4.299  -8.443   2.408
  170    HD2  PHE  20           2HD      PHE  20   5.851  -8.491  -1.554
  171    HE1  PHE  20           1HE      PHE  20   6.504  -7.773   3.269
  172    HE2  PHE  20           2HE      PHE  20   8.060  -7.821  -0.701
  173    HZ   PHE  20           HZ       PHE  20   8.389  -7.462   1.714
  174    H    LEU  21           H        LEU  21   2.668  -7.378  -2.393
  175    HA   LEU  21           HA       LEU  21   4.189  -4.999  -2.290
  176   1HB   LEU  21          2HB       LEU  21   3.575  -4.760  -4.679
  177   2HB   LEU  21          1HB       LEU  21   4.223  -6.339  -4.277
  178    HG   LEU  21           HG       LEU  21   1.618  -6.897  -4.025
  179   1HD1  LEU  21          1HD1      LEU  21   1.383  -5.202  -6.418
  180   2HD1  LEU  21          2HD1      LEU  21   1.394  -4.349  -4.876
  181   3HD1  LEU  21          3HD1      LEU  21   0.190  -5.599  -5.183
  182   1HD2  LEU  21          1HD2      LEU  21   3.596  -7.649  -5.677
  183   2HD2  LEU  21          2HD2      LEU  21   2.531  -6.845  -6.830
  184   3HD2  LEU  21          3HD2      LEU  21   1.925  -8.183  -5.855
  185    H    PHE  22           H        PHE  22   0.727  -5.581  -2.819
  186    HA   PHE  22           HA       PHE  22  -0.116  -2.981  -3.226
  187   1HB   PHE  22          2HB       PHE  22  -1.416  -5.437  -2.141
  188   2HB   PHE  22          1HB       PHE  22  -2.269  -3.906  -1.986
  189    HD1  PHE  22           1HD      PHE  22  -1.590  -2.549  -4.478
  190    HD2  PHE  22           2HD      PHE  22  -2.544  -6.634  -3.763
  191    HE1  PHE  22           1HE      PHE  22  -2.395  -2.762  -6.794
  192    HE2  PHE  22           2HE      PHE  22  -3.349  -6.855  -6.077
  193    HZ   PHE  22           HZ       PHE  22  -3.274  -4.918  -7.595
  194    H    VAL  23           H        VAL  23  -0.078  -4.717  -0.106
  195    HA   VAL  23           HA       VAL  23  -0.882  -2.571   1.472
  196    HB   VAL  23           HB       VAL  23  -0.085  -3.824   3.364
  197   1HG1  VAL  23          1HG1      VAL  23  -2.045  -4.828   2.829
  198   2HG1  VAL  23          2HG1      VAL  23  -0.979  -6.200   2.524
  199   3HG1  VAL  23          3HG1      VAL  23  -1.528  -5.193   1.184
  200   1HG2  VAL  23          1HG2      VAL  23   2.076  -4.528   2.773
  201   2HG2  VAL  23          2HG2      VAL  23   1.488  -5.380   1.347
  202   3HG2  VAL  23          3HG2      VAL  23   1.133  -6.009   2.954
  203    H    LEU  24           H        LEU  24   2.409  -3.730   0.753
  204    HA   LEU  24           HA       LEU  24   3.852  -1.982   2.330
  205   1HB   LEU  24          2HB       LEU  24   4.539  -3.905   0.610
  206   2HB   LEU  24          1HB       LEU  24   4.879  -2.519  -0.407
  207    HG   LEU  24           HG       LEU  24   6.882  -3.286   0.769
  208   1HD1  LEU  24          1HD1      LEU  24   7.572  -1.142   1.690
  209   2HD1  LEU  24          2HD1      LEU  24   5.889  -0.620   1.765
  210   3HD1  LEU  24          3HD1      LEU  24   6.651  -0.918   0.204
  211   1HD2  LEU  24          1HD2      LEU  24   5.790  -2.355   3.374
  212   2HD2  LEU  24          2HD2      LEU  24   7.056  -3.534   3.035
  213   3HD2  LEU  24          3HD2      LEU  24   5.362  -3.971   2.812
  214    H    ALA  25           H        ALA  25   3.379  -1.500  -1.171
  215    HA   ALA  25           HA       ALA  25   4.129   1.198  -1.177
  216   1HB   ALA  25          1HB       ALA  25   2.159   0.348  -3.204
  217   2HB   ALA  25          2HB       ALA  25   3.643  -0.602  -3.108
  218   3HB   ALA  25          3HB       ALA  25   3.726   1.136  -3.400
  219    H    LEU  26           H        LEU  26   1.143  -0.337  -0.326
  220    HA   LEU  26           HA       LEU  26  -0.604   1.838  -0.702
  221   1HB   LEU  26          2HB       LEU  26  -1.623  -0.237  -0.475
  222   2HB   LEU  26          1HB       LEU  26  -0.642  -0.685   0.901
  223    HG   LEU  26           HG       LEU  26  -3.101  -0.244   1.311
  224   1HD1  LEU  26          1HD1      LEU  26  -1.712   1.574   3.129
  225   2HD1  LEU  26          2HD1      LEU  26  -0.911   0.021   2.900
  226   3HD1  LEU  26          3HD1      LEU  26  -2.581   0.076   3.461
  227   1HD2  LEU  26          1HD2      LEU  26  -2.482   2.636   1.553
  228   2HD2  LEU  26          2HD2      LEU  26  -3.998   1.829   1.152
  229   3HD2  LEU  26          3HD2      LEU  26  -2.746   2.017  -0.077
  230    H    LEU  27           H        LEU  27   1.013   0.634   2.247
  231    HA   LEU  27           HA       LEU  27   0.172   2.728   3.918
  232   1HB   LEU  27          2HB       LEU  27   2.222   0.593   4.031
  233   2HB   LEU  27          1HB       LEU  27   2.489   1.967   5.083
  234   1HD1  LEU  27          1HD1      LEU  27   0.158   2.800   5.981
  235   2HD1  LEU  27          2HD1      LEU  27  -0.502   1.606   7.098
  236   3HD1  LEU  27          3HD1      LEU  27  -1.135   1.722   5.455
  237   1HD2  LEU  27          1HD2      LEU  27   0.307  -1.290   5.727
  238   2HD2  LEU  27          2HD2      LEU  27   0.522  -0.698   4.081
  239   3HD2  LEU  27          3HD2      LEU  27  -0.946  -0.304   4.975
  240    H    ILE  28           H        ILE  28   3.141   2.281   2.023
  241    HA   ILE  28           HA       ILE  28   4.456   4.606   2.902
  242    HB   ILE  28           HB       ILE  28   4.737   3.238   0.224
  243   1HG1  ILE  28          2HG1      ILE  28   5.059   1.714   2.151
  244   2HG1  ILE  28          1HG1      ILE  28   6.545   1.969   1.243
  245   1HG2  ILE  28          1HG2      ILE  28   5.865   5.226  -0.058
  246   2HG2  ILE  28          2HG2      ILE  28   7.141   4.190   0.583
  247   3HG2  ILE  28          3HG2      ILE  28   6.318   5.333   1.643
  248   1HD1  ILE  28          1HD1      ILE  28   5.813   3.317   3.831
  249   2HD1  ILE  28          2HD1      ILE  28   7.308   3.552   2.927
  250   3HD1  ILE  28          3HD1      ILE  28   6.947   1.980   3.639
  251    H    HIS  29           H        HIS  29   2.683   4.057  -0.140
  252    HA   HIS  29           HA       HIS  29   2.787   6.713  -1.028
  253   1HB   HIS  29          2HB       HIS  29   0.908   4.441  -1.653
  254   2HB   HIS  29          1HB       HIS  29   0.780   6.011  -2.439
  255    HD1  HIS  29           1HD      HIS  29   4.260   5.251  -1.879
  256    HD2  HIS  29           2HD      HIS  29   1.421   4.253  -4.744
  257    HE1  HIS  29           1HE      HIS  29   5.568   4.441  -3.868
  258    HE2  HIS  29           2HE      HIS  29   3.826   3.760  -5.557
  259    H    PHE  30           H        PHE  30   0.410   5.023   0.942
  260    HA   PHE  30           HA       PHE  30  -1.582   6.969   0.969
  261   1HB   PHE  30          2HB       PHE  30  -1.947   4.683   1.757
  262   2HB   PHE  30          1HB       PHE  30  -0.874   4.971   3.123
  263    HD1  PHE  30           1HD      PHE  30  -3.931   6.425   1.554
  264    HD2  PHE  30           2HD      PHE  30  -1.825   5.515   5.137
  265    HE1  PHE  30           1HE      PHE  30  -5.844   7.226   2.876
  266    HE2  PHE  30           2HE      PHE  30  -3.735   6.313   6.467
  267    HZ   PHE  30           HZ       PHE  30  -5.749   7.170   5.336
  268    H    ILE  31           H        ILE  31   1.033   6.440   3.363
  269    HA   ILE  31           HA       ILE  31   0.309   8.669   4.940
  270    HB   ILE  31           HB       ILE  31   2.612   8.450   5.900
  271   1HG1  ILE  31          2HG1      ILE  31   3.466   5.986   5.150
  272   2HG1  ILE  31          1HG1      ILE  31   2.844   6.589   3.621
  273   1HG2  ILE  31          1HG2      ILE  31   0.531   7.282   6.670
  274   2HG2  ILE  31          2HG2      ILE  31   2.055   6.526   7.135
  275   3HG2  ILE  31          3HG2      ILE  31   1.111   5.861   5.802
  276   1HD1  ILE  31          1HD1      ILE  31   4.296   8.711   4.451
  277   2HD1  ILE  31          2HD1      ILE  31   4.901   7.432   3.399
  278   3HD1  ILE  31          3HD1      ILE  31   5.223   7.374   5.131
  279    H    LEU  32           H        LEU  32   2.920   8.245   2.557
  280    HA   LEU  32           HA       LEU  32   3.918  10.856   2.775
  281   1HB   LEU  32          2HB       LEU  32   5.034  10.482   0.656
  282   2HB   LEU  32          1HB       LEU  32   5.170   9.069   1.681
  283    HG   LEU  32           HG       LEU  32   3.077   8.258   0.284
  284   1HD1  LEU  32          1HD1      LEU  32   3.482  10.666  -0.946
  285   2HD1  LEU  32          2HD1      LEU  32   2.642   9.287  -1.656
  286   3HD1  LEU  32          3HD1      LEU  32   4.350   9.556  -2.006
  287   1HD2  LEU  32          1HD2      LEU  32   4.652   7.178  -1.284
  288   2HD2  LEU  32          2HD2      LEU  32   5.190   7.087   0.393
  289   3HD2  LEU  32          3HD2      LEU  32   5.925   8.251  -0.707
  290    H    LEU  33           H        LEU  33   1.596   9.520   0.414
  291    HA   LEU  33           HA       LEU  33   1.114  11.971  -0.884
  292   1HB   LEU  33          2HB       LEU  33   0.033  10.604  -2.260
  293   2HB   LEU  33          1HB       LEU  33   0.232   9.300  -1.122
  294    HG   LEU  33           HG       LEU  33  -2.078  11.157  -0.758
  295   1HD1  LEU  33          1HD1      LEU  33  -2.495   8.794  -2.482
  296   2HD1  LEU  33          2HD1      LEU  33  -1.712  10.191  -3.223
  297   3HD1  LEU  33          3HD1      LEU  33  -3.304  10.361  -2.483
  298   1HD2  LEU  33          1HD2      LEU  33  -2.742   9.592   0.678
  299   2HD2  LEU  33          2HD2      LEU  33  -1.165   8.833   0.472
  300   3HD2  LEU  33          3HD2      LEU  33  -2.528   8.313  -0.515
  301    H    SER  34           H        SER  34  -0.719  10.309   1.680
  302    HA   SER  34           HA       SER  34  -2.666  12.304   2.024
  303   1HB   SER  34          2HB       SER  34  -1.616  10.291   4.026
  304   2HB   SER  34          1HB       SER  34  -3.073  11.259   4.238
  305    HG   SER  34           HG       SER  34  -4.092  10.090   2.756
  306    H    THR  35           H        THR  35  -0.086  11.547   4.364
  307    HA   THR  35           HA       THR  35  -0.197  13.756   5.930
  308    HB   THR  35           HB       THR  35   2.393  12.505   5.007
  309    HG1  THR  35           1HG      THR  35   1.969  10.864   6.286
  310   1HG2  THR  35          1HG2      THR  35   1.761  13.602   7.724
  311   2HG2  THR  35          2HG2      THR  35   2.523  14.566   6.459
  312   3HG2  THR  35          3HG2      THR  35   3.325  13.119   7.070
  313    H    GLU  36           H        GLU  36   1.494  13.545   2.821
  314    HA   GLU  36           HA       GLU  36   2.688  16.089   2.910
  315   1HB   GLU  36          2HB       GLU  36   3.391  14.370   1.321
  316   2HB   GLU  36          1HB       GLU  36   1.833  14.458   0.513
  317   1HG   GLU  36          2HG       GLU  36   3.408  16.958   0.745
  318   2HG   GLU  36          1HG       GLU  36   3.969  15.728  -0.387
  319    H    ARG  37           H        ARG  37  -0.377  15.011   1.463
  320    HA   ARG  37           HA       ARG  37  -1.139  17.541   0.472
  321   1HB   ARG  37          2HB       ARG  37  -2.111  15.033   0.184
  322   2HB   ARG  37          1HB       ARG  37  -3.286  15.686   1.318
  323   1HG   ARG  37          2HG       ARG  37  -4.128  16.012  -0.881
  324   2HG   ARG  37          1HG       ARG  37  -3.641  17.587  -0.253
  325   1HD   ARG  37          2HD       ARG  37  -1.797  17.718  -1.640
  326   2HD   ARG  37          1HD       ARG  37  -1.711  15.971  -1.860
  327    HE   ARG  37           HE       ARG  37  -3.270  17.841  -3.392
  328   1HH1  ARG  37          1HH1      ARG  37  -2.957  14.510  -2.398
  329   2HH1  ARG  37          2HH1      ARG  37  -3.842  13.893  -3.752
  330   1HH2  ARG  37          1HH2      ARG  37  -4.434  17.030  -5.173
  331   2HH2  ARG  37          2HH2      ARG  37  -4.680  15.323  -5.327
  332    H    PHE  38           H        PHE  38  -1.580  15.959   3.573
  333    HA   PHE  38           HA       PHE  38  -3.484  17.707   4.668
  334   1HB   PHE  38          2HB       PHE  38  -1.496  15.778   5.772
  335   2HB   PHE  38          1HB       PHE  38  -2.222  16.937   6.880
  336    HD1  PHE  38           1HD      PHE  38  -2.443  13.720   6.157
  337    HD2  PHE  38           2HD      PHE  38  -4.950  17.156   6.001
  338    HE1  PHE  38           1HE      PHE  38  -4.426  12.278   6.357
  339    HE2  PHE  38           2HE      PHE  38  -6.938  15.719   6.201
  340    HZ   PHE  38           HZ       PHE  38  -6.676  13.277   6.380
  341    H    ASN  39           H        ASN  39  -0.004  17.598   5.452
  342    HA   ASN  39           HA       ASN  39   0.088  20.089   6.711
  343   1HB   ASN  39          2HB       ASN  39   2.121  18.261   5.519
  344   2HB   ASN  39          1HB       ASN  39   2.617  19.897   5.941
  345   1HD2  ASN  39          1HD2      ASN  39   3.572  17.501   7.117
  346   2HD2  ASN  39          2HD2      ASN  39   3.138  17.530   8.789
  347    H    TRP  40           H        TRP  40  -0.078  19.297   3.395
  348    HA   TRP  40           HA       TRP  40   1.166  21.591   2.279
  349   1HB   TRP  40          2HB       TRP  40   0.819  19.585   0.929
  350   2HB   TRP  40          1HB       TRP  40  -0.925  19.728   1.121
  351    HD1  TRP  40           HD       TRP  40   1.695  22.372  -0.004
  352    HE1  TRP  40           1HE      TRP  40   0.900  23.361  -2.244
  353    HE3  TRP  40           3HE      TRP  40  -2.512  19.549  -0.692
  354    HZ2  TRP  40           2HZ      TRP  40  -1.228  22.994  -4.061
  355    HZ3  TRP  40           3HZ      TRP  40  -3.872  19.931  -2.707
  356    HH2  TRP  40           HH       TRP  40  -3.243  21.618  -4.355
  357    H    LEU  41           H        LEU  41  -2.273  20.722   2.189
  358    HA   LEU  41           HA       LEU  41  -3.152  23.386   1.847
  359   1HB   LEU  41          2HB       LEU  41  -4.502  21.416   1.224
  360   2HB   LEU  41          1HB       LEU  41  -4.653  20.990   2.917
  361    HG   LEU  41           HG       LEU  41  -5.608  23.567   2.880
  362   1HD1  LEU  41          1HD1      LEU  41  -5.542  23.614   0.437
  363   2HD1  LEU  41          2HD1      LEU  41  -7.196  23.694   1.044
  364   3HD1  LEU  41          3HD1      LEU  41  -6.571  22.183   0.382
  365   1HD2  LEU  41          1HD2      LEU  41  -7.771  22.559   3.231
  366   2HD2  LEU  41          2HD2      LEU  41  -6.539  21.595   4.043
  367   3HD2  LEU  41          3HD2      LEU  41  -7.220  21.046   2.511
  368    H    GLU  42           H        GLU  42  -1.995  21.641   4.523
  369    HA   GLU  42           HA       GLU  42  -3.411  22.811   6.615
  370   1HB   GLU  42          2HB       GLU  42  -2.022  20.840   6.953
  371   2HB   GLU  42          1HB       GLU  42  -0.584  21.781   6.586
  372   1HG   GLU  42          2HG       GLU  42  -0.395  22.092   8.772
  373   2HG   GLU  42          1HG       GLU  42  -1.757  23.201   8.627
  374    H    GLY  43           H        GLY  43  -0.023  23.502   5.795
  375   1HA   GLY  43          2HA       GLY  43  -0.099  26.058   7.075
  376   2HA   GLY  43          1HA       GLY  43   1.225  25.414   6.117
  377    H    ALA  44           H        ALA  44   1.427  25.979   3.996
  378    HA   ALA  44           HA       ALA  44   0.933  26.928   1.965
  379   1HB   ALA  44          1HB       ALA  44  -1.181  27.357   1.366
  380   2HB   ALA  44          2HB       ALA  44  -1.484  28.377   2.773
  381   3HB   ALA  44          3HB       ALA  44  -1.585  26.622   2.916
  382    H    SER  45           H        SER  45  -0.528  29.226   4.258
  383    HA   SER  45           HA       SER  45   0.976  31.404   3.190
  384   1HB   SER  45          2HB       SER  45  -0.105  32.744   4.921
  385   2HB   SER  45          1HB       SER  45  -1.289  31.684   4.159
  386    H    THR  46           H        THR  46   1.167  29.444   6.123
  387    HA   THR  46           HA       THR  46   3.501  30.902   7.055
  388    HB   THR  46           HB       THR  46   3.304  29.692   9.066
  389    HG1  THR  46           1HG      THR  46   3.178  27.606   8.318
  390   1HG2  THR  46          1HG2      THR  46   1.362  30.495   9.761
  391   2HG2  THR  46          2HG2      THR  46   0.454  29.415   8.702
  392   3HG2  THR  46          3HG2      THR  46   1.050  30.958   8.087
  393    H    LYS  47           H        LYS  47   2.674  27.710   5.801
  394    HA   LYS  47           HA       LYS  47   3.916  25.960   5.064
  395   1HB   LYS  47          2HB       LYS  47   5.618  26.471   3.498
  396   2HB   LYS  47          1HB       LYS  47   4.456  27.783   3.402
  397   1HG   LYS  47          2HG       LYS  47   5.890  29.301   4.399
  398   2HG   LYS  47          1HG       LYS  47   6.879  28.039   5.136
  399   1HD   LYS  47          2HD       LYS  47   8.058  29.088   3.280
  400   2HD   LYS  47          1HD       LYS  47   7.703  27.398   2.919
  401   1HE   LYS  47          2HE       LYS  47   5.706  29.413   2.067
  402   2HE   LYS  47          1HE       LYS  47   7.235  29.379   1.190
  403   1HZ   LYS  47          1HZ       LYS  47   6.848  26.942   0.892
  404   2HZ   LYS  47          2HZ       LYS  47   5.752  27.938   0.074
  405   3HZ   LYS  47          3HZ       LYS  47   5.287  27.167   1.506
  406    HA   PRO  48           HA       PRO  48   6.899  24.423   7.893
  407   1HB   PRO  48          2HB       PRO  48   8.803  23.811   5.703
  408   2HB   PRO  48          1HB       PRO  48   8.079  22.731   6.899
  409   1HG   PRO  48          2HG       PRO  48   7.270  22.693   4.360
  410   2HG   PRO  48          1HG       PRO  48   6.114  22.496   5.691
  411   1HD   PRO  48          2HD       PRO  48   6.669  24.903   4.000
  412   2HD   PRO  48          1HD       PRO  48   5.117  24.281   4.601
  413    H    VAL  49           H        VAL  49   9.430  24.426   8.324
  414    HA   VAL  49           HA       VAL  49  11.211  25.666   8.990
  415    HB   VAL  49           HB       VAL  49  10.739  27.183   6.428
  416   1HG1  VAL  49          1HG1      VAL  49  13.387  27.158   6.691
  417   2HG1  VAL  49          2HG1      VAL  49  12.952  27.071   8.397
  418   3HG1  VAL  49          3HG1      VAL  49  12.383  28.417   7.410
  419   1HG2  VAL  49          1HG2      VAL  49  11.884  24.497   6.968
  420   2HG2  VAL  49          2HG2      VAL  49  12.631  25.488   5.716
  421   3HG2  VAL  49          3HG2      VAL  49  10.924  25.063   5.601
  422    H    GLN  50           H        GLN  50   8.477  26.533   9.722
  423    HA   GLN  50           HA       GLN  50   7.341  28.309  10.615
  424   1HB   GLN  50          2HB       GLN  50  10.143  28.457  11.604
  425   2HB   GLN  50          1HB       GLN  50   9.081  29.810  11.969
  426   1HG   GLN  50          2HG       GLN  50   7.517  27.683  12.632
  427   2HG   GLN  50          1HG       GLN  50   9.125  27.101  13.060
  428   1HE2  GLN  50          1HE2      GLN  50  10.416  29.194  14.015
  429   2HE2  GLN  50          2HE2      GLN  50   9.615  29.873  15.387
  430    H    THR  51           H        THR  51   6.846  29.209   8.497
  431    HA   THR  51           HA       THR  51   6.692  30.905   6.986
  432    HB   THR  51           HB       THR  51   7.969  32.860   8.814
  433    HG1  THR  51           1HG      THR  51   6.496  32.661  10.375
  434   1HG2  THR  51          1HG2      THR  51   6.789  33.792   6.999
  435   2HG2  THR  51          2HG2      THR  51   5.785  34.037   8.428
  436   3HG2  THR  51          3HG2      THR  51   5.390  32.756   7.282
  437    H    SER  52           H        SER  52   9.171  29.352   7.060
  438    HA   SER  52           HA       SER  52  11.211  29.308   6.058
  439   1HB   SER  52          2HB       SER  52  10.865  31.923   4.710
  440   2HB   SER  52          1HB       SER  52  11.328  30.360   4.039
  441    HG   SER  52           HG       SER  52   9.328  30.635   3.274
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1   3.889 -36.470  -7.328
    2    HA   MET   1           HA       MET   1   5.361 -36.855  -4.932
    3   1HB   MET   1          2HB       MET   1   5.614 -34.141  -6.211
    4   2HB   MET   1          1HB       MET   1   5.734 -34.341  -4.468
    5   1HG   MET   1          2HG       MET   1   7.416 -36.145  -6.065
    6   2HG   MET   1          1HG       MET   1   7.827 -34.434  -6.161
    7   1HE   MET   1          1HE       MET   1   8.523 -37.405  -2.903
    8   2HE   MET   1          2HE       MET   1   9.569 -37.214  -4.311
    9   3HE   MET   1          3HE       MET   1   7.861 -37.599  -4.526
   10    H    TRP   2           H        TRP   2   2.681 -37.016  -6.099
   11    HA   TRP   2           HA       TRP   2   0.487 -36.446  -5.703
   12   1HB   TRP   2          2HB       TRP   2   1.764 -36.897  -3.025
   13   2HB   TRP   2          1HB       TRP   2   0.051 -36.506  -3.137
   14    HD1  TRP   2           HD       TRP   2   2.552 -39.232  -4.219
   15    HE1  TRP   2           1HE      TRP   2   1.247 -41.418  -4.595
   16    HE3  TRP   2           3HE      TRP   2  -2.203 -37.456  -3.605
   17    HZ2  TRP   2           2HZ      TRP   2  -1.443 -42.277  -4.627
   18    HZ3  TRP   2           3HZ      TRP   2  -4.085 -39.025  -3.826
   19    HH2  TRP   2           HH       TRP   2  -3.711 -41.385  -4.326
   20    H    ARG   3           H        ARG   3   0.915 -34.239  -6.612
   21    HA   ARG   3           HA       ARG   3   0.590 -31.988  -6.587
   22   1HB   ARG   3          2HB       ARG   3  -0.820 -32.582  -3.978
   23   2HB   ARG   3          1HB       ARG   3  -0.974 -31.101  -4.913
   24   1HG   ARG   3          2HG       ARG   3  -1.851 -33.859  -5.739
   25   2HG   ARG   3          1HG       ARG   3  -2.886 -32.496  -5.306
   26   1HD   ARG   3          2HD       ARG   3  -1.264 -31.490  -7.312
   27   2HD   ARG   3          1HD       ARG   3  -1.608 -33.138  -7.835
   28    HE   ARG   3           HE       ARG   3  -3.398 -30.955  -7.875
   29   1HH1  ARG   3          1HH1      ARG   3  -3.294 -34.376  -7.187
   30   2HH1  ARG   3          2HH1      ARG   3  -4.958 -34.635  -7.595
   31   1HH2  ARG   3          1HH2      ARG   3  -5.586 -31.294  -8.410
   32   2HH2  ARG   3          2HH2      ARG   3  -6.259 -32.887  -8.288
   33    H    ILE   4           H        ILE   4   2.924 -33.243  -5.109
   34    HA   ILE   4           HA       ILE   4   4.743 -32.536  -3.945
   35    HB   ILE   4           HB       ILE   4   3.619 -29.750  -4.171
   36   1HG1  ILE   4          2HG1      ILE   4   5.341 -29.884  -6.230
   37   2HG1  ILE   4          1HG1      ILE   4   4.790 -31.557  -6.220
   38   1HG2  ILE   4          1HG2      ILE   4   6.279 -29.508  -4.461
   39   2HG2  ILE   4          2HG2      ILE   4   6.215 -30.929  -3.419
   40   3HG2  ILE   4          3HG2      ILE   4   5.457 -29.423  -2.903
   41   1HD1  ILE   4          1HD1      ILE   4   2.566 -29.746  -6.005
   42   2HD1  ILE   4          2HD1      ILE   4   2.888 -31.000  -7.202
   43   3HD1  ILE   4          3HD1      ILE   4   3.552 -29.381  -7.420
   44    H    TRP   5           H        TRP   5   1.864 -32.751  -2.645
   45    HA   TRP   5           HA       TRP   5   1.300 -33.055  -0.442
   46   1HB   TRP   5          2HB       TRP   5   3.958 -32.715  -0.116
   47   2HB   TRP   5          1HB       TRP   5   3.366 -31.268   0.693
   48    HD1  TRP   5           HD       TRP   5   1.172 -31.982   2.504
   49    HE1  TRP   5           1HE      TRP   5   1.283 -33.823   4.298
   50    HE3  TRP   5           3HE      TRP   5   5.020 -34.750   0.589
   51    HZ2  TRP   5           2HZ      TRP   5   2.800 -36.143   4.830
   52    HZ3  TRP   5           3HZ      TRP   5   5.741 -36.765   1.802
   53    HH2  TRP   5           HH       TRP   5   4.654 -37.445   3.880
   54    H    GLN   6           H        GLN   6   1.664 -30.118  -2.083
   55    HA   GLN   6           HA       GLN   6  -0.647 -29.008  -0.901
   56   1HB   GLN   6          2HB       GLN   6   0.473 -26.988   0.123
   57   2HB   GLN   6          1HB       GLN   6   0.645 -28.495   1.012
   58   1HG   GLN   6          2HG       GLN   6   2.867 -28.534   0.766
   59   2HG   GLN   6          1HG       GLN   6   2.792 -27.978  -0.906
   60   1HE2  GLN   6          1HE2      GLN   6   1.502 -26.421   1.980
   61   2HE2  GLN   6          2HE2      GLN   6   2.482 -25.002   1.875
   62    H    LEU   7           H        LEU   7   2.182 -28.619  -2.910
   63    HA   LEU   7           HA       LEU   7   2.458 -27.557  -4.912
   64   1HB   LEU   7          2HB       LEU   7  -0.261 -26.367  -4.930
   65   2HB   LEU   7          1HB       LEU   7   0.658 -27.080  -6.239
   66    HG   LEU   7           HG       LEU   7  -0.009 -29.147  -4.383
   67   1HD1  LEU   7          1HD1      LEU   7  -1.945 -28.409  -3.551
   68   2HD1  LEU   7          2HD1      LEU   7  -2.591 -28.756  -5.154
   69   3HD1  LEU   7          3HD1      LEU   7  -2.079 -27.118  -4.746
   70   1HD2  LEU   7          1HD2      LEU   7  -0.343 -28.489  -7.232
   71   2HD2  LEU   7          2HD2      LEU   7  -1.489 -29.654  -6.568
   72   3HD2  LEU   7          3HD2      LEU   7   0.245 -29.965  -6.465
   73    H    PHE   8           H        PHE   8   2.150 -26.201  -2.056
   74    HA   PHE   8           HA       PHE   8   2.677 -24.184  -1.156
   75   1HB   PHE   8          2HB       PHE   8   4.019 -24.251  -3.699
   76   2HB   PHE   8          1HB       PHE   8   3.480 -22.610  -3.364
   77    HD1  PHE   8           1HD      PHE   8   4.009 -21.736  -0.952
   78    HD2  PHE   8           2HD      PHE   8   6.036 -24.958  -2.853
   79    HE1  PHE   8           1HE      PHE   8   5.930 -21.410   0.552
   80    HE2  PHE   8           2HE      PHE   8   7.960 -24.640  -1.352
   81    HZ   PHE   8           HZ       PHE   8   7.908 -22.864   0.353
   82    H    ASP   9           H        ASP   9   0.024 -24.727  -2.218
   83    HA   ASP   9           HA       ASP   9  -1.916 -23.695  -2.905
   84   1HB   ASP   9          2HB       ASP   9  -0.741 -21.920  -0.781
   85   2HB   ASP   9          1HB       ASP   9  -2.341 -21.622  -1.452
   86    HA   PRO  10           HA       PRO  10  -0.211 -21.035  -6.245
   87   1HB   PRO  10          2HB       PRO  10  -2.608 -21.255  -7.668
   88   2HB   PRO  10          1HB       PRO  10  -1.172 -22.256  -7.897
   89   1HG   PRO  10          2HG       PRO  10  -3.657 -22.827  -6.353
   90   2HG   PRO  10          1HG       PRO  10  -2.650 -23.926  -7.314
   91   1HD   PRO  10          2HD       PRO  10  -2.554 -23.927  -4.640
   92   2HD   PRO  10          1HD       PRO  10  -1.090 -24.182  -5.612
   93    H    ARG  11           H        ARG  11  -3.646 -20.904  -5.264
   94    HA   ARG  11           HA       ARG  11  -4.047 -18.202  -5.838
   95   1HB   ARG  11          2HB       ARG  11  -5.883 -19.771  -5.399
   96   2HB   ARG  11          1HB       ARG  11  -5.385 -19.895  -3.718
   97   1HG   ARG  11          2HG       ARG  11  -6.287 -17.898  -3.157
   98   2HG   ARG  11          1HG       ARG  11  -5.953 -17.179  -4.733
   99   1HD   ARG  11          2HD       ARG  11  -7.880 -18.011  -5.673
  100   2HD   ARG  11          1HD       ARG  11  -7.978 -19.356  -4.538
  101    HE   ARG  11           HE       ARG  11  -9.249 -18.042  -3.178
  102   1HH1  ARG  11          1HH1      ARG  11  -7.479 -15.972  -5.361
  103   2HH1  ARG  11          2HH1      ARG  11  -8.267 -14.526  -4.827
  104   1HH2  ARG  11          1HH2      ARG  11 -10.287 -16.141  -2.475
  105   2HH2  ARG  11          2HH2      ARG  11  -9.862 -14.621  -3.188
  106    H    GLN  12           H        GLN  12  -2.935 -19.785  -2.884
  107    HA   GLN  12           HA       GLN  12  -2.892 -17.537  -1.211
  108   1HB   GLN  12          2HB       GLN  12  -2.660 -19.834  -0.385
  109   2HB   GLN  12          1HB       GLN  12  -1.100 -19.970  -1.182
  110   1HG   GLN  12          2HG       GLN  12  -0.946 -19.564   1.247
  111   2HG   GLN  12          1HG       GLN  12  -0.136 -18.339   0.271
  112   1HE2  GLN  12          1HE2      GLN  12  -2.237 -18.870   2.791
  113   2HE2  GLN  12          2HE2      GLN  12  -2.938 -17.294   2.899
  114    H    ALA  13           H        ALA  13  -0.466 -18.853  -3.415
  115    HA   ALA  13           HA       ALA  13   1.631 -17.108  -2.719
  116   1HB   ALA  13          1HB       ALA  13   1.491 -19.305  -4.236
  117   2HB   ALA  13          2HB       ALA  13   2.819 -18.147  -4.339
  118   3HB   ALA  13          3HB       ALA  13   1.498 -18.080  -5.506
  119    H    LEU  14           H        LEU  14  -0.818 -16.914  -5.296
  120    HA   LEU  14           HA       LEU  14   0.185 -14.486  -6.372
  121   1HB   LEU  14          2HB       LEU  14  -1.563 -14.561  -7.864
  122   2HB   LEU  14          1HB       LEU  14  -1.396 -16.251  -7.435
  123    HG   LEU  14           HG       LEU  14  -3.251 -15.639  -5.652
  124   1HD1  LEU  14          1HD1      LEU  14  -4.304 -13.880  -7.762
  125   2HD1  LEU  14          2HD1      LEU  14  -3.026 -13.196  -6.758
  126   3HD1  LEU  14          3HD1      LEU  14  -4.504 -13.804  -6.012
  127   1HD2  LEU  14          1HD2      LEU  14  -4.768 -16.702  -7.014
  128   2HD2  LEU  14          2HD2      LEU  14  -3.243 -17.170  -7.767
  129   3HD2  LEU  14          3HD2      LEU  14  -4.210 -15.871  -8.466
  130    H    VAL  15           H        VAL  15  -2.307 -15.236  -3.992
  131    HA   VAL  15           HA       VAL  15  -3.220 -12.550  -3.712
  132    HB   VAL  15           HB       VAL  15  -3.463 -14.822  -1.733
  133   1HG1  VAL  15          1HG1      VAL  15  -3.976 -12.825  -0.599
  134   2HG1  VAL  15          2HG1      VAL  15  -5.534 -13.499  -1.075
  135   3HG1  VAL  15          3HG1      VAL  15  -4.838 -12.161  -1.987
  136   1HG2  VAL  15          1HG2      VAL  15  -4.437 -14.852  -4.262
  137   2HG2  VAL  15          2HG2      VAL  15  -5.773 -14.089  -3.397
  138   3HG2  VAL  15          3HG2      VAL  15  -5.190 -15.677  -2.896
  139    H    GLY  16           H        GLY  16  -0.605 -14.405  -2.363
  140   1HA   GLY  16          2HA       GLY  16  -0.126 -12.689  -0.118
  141   2HA   GLY  16          1HA       GLY  16   0.963 -13.921  -0.744
  142    H    LEU  17           H        LEU  17   1.582 -13.188  -3.201
  143    HA   LEU  17           HA       LEU  17   3.410 -11.089  -2.856
  144   1HB   LEU  17          2HB       LEU  17   3.665 -11.259  -5.344
  145   2HB   LEU  17          1HB       LEU  17   3.889 -12.756  -4.461
  146    HG   LEU  17           HG       LEU  17   1.289 -13.011  -5.066
  147   1HD1  LEU  17          1HD1      LEU  17   0.560 -11.854  -6.833
  148   2HD1  LEU  17          2HD1      LEU  17   2.107 -11.968  -7.671
  149   3HD1  LEU  17          3HD1      LEU  17   1.861 -10.730  -6.439
  150   1HD2  LEU  17          1HD2      LEU  17   2.980 -14.666  -5.531
  151   2HD2  LEU  17          2HD2      LEU  17   3.635 -13.679  -6.837
  152   3HD2  LEU  17          3HD2      LEU  17   2.026 -14.383  -6.987
  153    H    ALA  18           H        ALA  18   0.351 -11.228  -4.658
  154    HA   ALA  18           HA       ALA  18   0.328  -8.609  -5.609
  155   1HB   ALA  18          1HB       ALA  18  -1.209 -10.309  -6.419
  156   2HB   ALA  18          2HB       ALA  18  -2.098  -8.895  -5.850
  157   3HB   ALA  18          3HB       ALA  18  -2.018 -10.348  -4.853
  158    H    THR  19           H        THR  19  -1.130  -9.922  -2.634
  159    HA   THR  19           HA       THR  19  -2.070  -7.416  -1.699
  160    HB   THR  19           HB       THR  19  -1.460  -9.950  -0.161
  161    HG1  THR  19           1HG      THR  19  -3.935  -8.993  -1.153
  162   1HG2  THR  19          1HG2      THR  19  -3.227  -9.071   1.396
  163   2HG2  THR  19          2HG2      THR  19  -3.022  -7.507   0.611
  164   3HG2  THR  19          3HG2      THR  19  -1.667  -8.252   1.459
  165    H    PHE  20           H        PHE  20   0.955  -9.115  -1.424
  166    HA   PHE  20           HA       PHE  20   2.090  -7.748   0.736
  167   1HB   PHE  20          2HB       PHE  20   3.061  -9.794  -0.206
  168   2HB   PHE  20          1HB       PHE  20   3.469  -8.929  -1.685
  169    HD1  PHE  20           1HD      PHE  20   4.448  -9.701   1.694
  170    HD2  PHE  20           2HD      PHE  20   5.177  -7.116  -1.607
  171    HE1  PHE  20           1HE      PHE  20   6.617  -9.074   2.669
  172    HE2  PHE  20           2HE      PHE  20   7.349  -6.485  -0.639
  173    HZ   PHE  20           HZ       PHE  20   8.072  -7.464   1.503
  174    H    LEU  21           H        LEU  21   2.710  -7.164  -2.746
  175    HA   LEU  21           HA       LEU  21   4.063  -4.730  -2.272
  176   1HB   LEU  21          2HB       LEU  21   4.326  -4.568  -4.539
  177   2HB   LEU  21          1HB       LEU  21   4.039  -6.286  -4.371
  178    HG   LEU  21           HG       LEU  21   1.753  -4.450  -5.000
  179   1HD1  LEU  21          1HD1      LEU  21   2.174  -4.770  -7.375
  180   2HD1  LEU  21          2HD1      LEU  21   3.683  -5.605  -7.003
  181   3HD1  LEU  21          3HD1      LEU  21   3.500  -3.896  -6.609
  182   1HD2  LEU  21          1HD2      LEU  21   2.169  -7.190  -6.088
  183   2HD2  LEU  21          2HD2      LEU  21   0.671  -6.351  -5.684
  184   3HD2  LEU  21          3HD2      LEU  21   1.688  -7.004  -4.402
  185    H    PHE  22           H        PHE  22   0.711  -5.469  -3.102
  186    HA   PHE  22           HA       PHE  22  -0.233  -2.900  -3.553
  187   1HB   PHE  22          2HB       PHE  22  -1.462  -5.459  -2.670
  188   2HB   PHE  22          1HB       PHE  22  -2.411  -3.992  -2.452
  189    HD1  PHE  22           1HD      PHE  22  -2.480  -6.592  -4.410
  190    HD2  PHE  22           2HD      PHE  22  -1.673  -2.434  -4.821
  191    HE1  PHE  22           1HE      PHE  22  -3.172  -6.696  -6.769
  192    HE2  PHE  22           2HE      PHE  22  -2.363  -2.530  -7.181
  193    HZ   PHE  22           HZ       PHE  22  -3.114  -4.663  -8.158
  194    H    VAL  23           H        VAL  23  -0.257  -4.704  -0.473
  195    HA   VAL  23           HA       VAL  23  -1.287  -2.583   1.058
  196    HB   VAL  23           HB       VAL  23  -0.727  -3.874   2.991
  197   1HG1  VAL  23          1HG1      VAL  23  -1.458  -6.254   1.995
  198   2HG1  VAL  23          2HG1      VAL  23  -1.869  -5.217   0.629
  199   3HG1  VAL  23          3HG1      VAL  23  -2.581  -4.911   2.213
  200   1HG2  VAL  23          1HG2      VAL  23   0.581  -6.009   2.757
  201   2HG2  VAL  23          2HG2      VAL  23   1.520  -4.523   2.621
  202   3HG2  VAL  23          3HG2      VAL  23   1.085  -5.427   1.173
  203    H    LEU  24           H        LEU  24   2.039  -3.764   0.676
  204    HA   LEU  24           HA       LEU  24   3.320  -2.013   2.387
  205   1HB   LEU  24          2HB       LEU  24   4.175  -4.035   0.974
  206   2HB   LEU  24          1HB       LEU  24   4.565  -2.805  -0.213
  207    HG   LEU  24           HG       LEU  24   6.500  -3.370   1.168
  208   1HD1  LEU  24          1HD1      LEU  24   5.523  -0.606   1.844
  209   2HD1  LEU  24          2HD1      LEU  24   6.127  -1.067   0.253
  210   3HD1  LEU  24          3HD1      LEU  24   7.190  -1.149   1.656
  211   1HD2  LEU  24          1HD2      LEU  24   6.546  -3.276   3.456
  212   2HD2  LEU  24          2HD2      LEU  24   4.876  -3.780   3.198
  213   3HD2  LEU  24          3HD2      LEU  24   5.243  -2.090   3.542
  214    H    ALA  25           H        ALA  25   3.023  -1.658  -1.142
  215    HA   ALA  25           HA       ALA  25   4.111   0.896  -1.323
  216   1HB   ALA  25          1HB       ALA  25   3.981  -0.199  -3.341
  217   2HB   ALA  25          2HB       ALA  25   2.668   0.970  -3.486
  218   3HB   ALA  25          3HB       ALA  25   2.315  -0.710  -3.080
  219    H    LEU  26           H        LEU  26   0.665  -0.031  -1.085
  220    HA   LEU  26           HA       LEU  26  -0.322   2.593  -1.254
  221   1HB   LEU  26          2HB       LEU  26  -2.404   1.726  -0.824
  222   2HB   LEU  26          1HB       LEU  26  -1.558   0.323  -1.442
  223    HG   LEU  26           HG       LEU  26  -1.123  -0.200   1.077
  224   1HD1  LEU  26          1HD1      LEU  26  -1.896   1.514   2.342
  225   2HD1  LEU  26          2HD1      LEU  26  -3.396   0.594   2.224
  226   3HD1  LEU  26          3HD1      LEU  26  -3.123   1.976   1.163
  227   1HD2  LEU  26          1HD2      LEU  26  -3.932  -0.509   0.056
  228   2HD2  LEU  26          2HD2      LEU  26  -3.022  -1.599   1.102
  229   3HD2  LEU  26          3HD2      LEU  26  -2.576  -1.428  -0.595
  230    H    LEU  27           H        LEU  27   0.577   0.639   1.572
  231    HA   LEU  27           HA       LEU  27  -0.314   2.416   3.541
  232   1HB   LEU  27          2HB       LEU  27   1.578   0.151   3.407
  233   2HB   LEU  27          1HB       LEU  27   1.834   1.270   4.733
  234   1HD1  LEU  27          1HD2      LEU  27  -1.705   1.461   4.999
  235   2HD1  LEU  27          2HD2      LEU  27  -0.255   2.087   5.786
  236   3HD1  LEU  27          3HD2      LEU  27  -1.168   0.776   6.533
  237   1HD2  LEU  27          1HD1      LEU  27  -1.815  -0.852   4.409
  238   2HD2  LEU  27          2HD1      LEU  27  -0.368  -1.612   3.747
  239   3HD2  LEU  27          3HD1      LEU  27  -1.020  -0.156   3.000
  240    H    ILE  28           H        ILE  28   2.984   2.024   2.220
  241    HA   ILE  28           HA       ILE  28   4.097   4.207   3.592
  242    HB   ILE  28           HB       ILE  28   4.984   3.086   0.931
  243   1HG1  ILE  28          2HG1      ILE  28   5.747   2.310   3.754
  244   2HG1  ILE  28          1HG1      ILE  28   4.837   1.325   2.614
  245   1HG2  ILE  28          1HG2      ILE  28   5.880   5.342   2.255
  246   2HG2  ILE  28          2HG2      ILE  28   6.754   4.441   1.016
  247   3HG2  ILE  28          3HG2      ILE  28   7.036   4.094   2.722
  248   1HD1  ILE  28          1HD1      ILE  28   7.169   0.620   2.802
  249   2HD1  ILE  28          2HD1      ILE  28   7.689   2.214   2.253
  250   3HD1  ILE  28          3HD1      ILE  28   6.773   1.163   1.172
  251    H    HIS  29           H        HIS  29   3.008   4.002   0.194
  252    HA   HIS  29           HA       HIS  29   3.434   6.658  -0.491
  253   1HB   HIS  29          2HB       HIS  29   1.481   4.594  -1.474
  254   2HB   HIS  29          1HB       HIS  29   1.474   6.228  -2.131
  255    HD1  HIS  29           1HD      HIS  29   3.679   3.177  -1.885
  256    HD2  HIS  29           2HD      HIS  29   3.446   6.760  -3.978
  257    HE1  HIS  29           1HE      HIS  29   5.429   3.020  -3.683
  258    HE2  HIS  29           2HE      HIS  29   5.328   5.234  -4.883
  259    H    PHE  30           H        PHE  30   0.681   5.161   1.106
  260    HA   PHE  30           HA       PHE  30  -1.031   7.385   1.063
  261   1HB   PHE  30          2HB       PHE  30  -1.848   5.131   1.534
  262   2HB   PHE  30          1HB       PHE  30  -0.910   5.085   3.023
  263    HD1  PHE  30           1HD      PHE  30  -4.015   5.978   1.519
  264    HD2  PHE  30           2HD      PHE  30  -1.472   6.782   4.834
  265    HE1  PHE  30           1HE      PHE  30  -5.921   6.941   2.741
  266    HE2  PHE  30           2HE      PHE  30  -3.373   7.746   6.063
  267    HZ   PHE  30           HZ       PHE  30  -5.600   7.827   5.016
  268    H    ILE  31           H        ILE  31   1.577   6.439   3.235
  269    HA   ILE  31           HA       ILE  31   0.915   8.333   5.259
  270    HB   ILE  31           HB       ILE  31   2.584   6.194   5.205
  271   1HG1  ILE  31          2HG1      ILE  31   2.768   8.543   7.101
  272   2HG1  ILE  31          1HG1      ILE  31   1.566   7.259   7.179
  273   1HG2  ILE  31          1HG2      ILE  31   4.399   8.598   5.201
  274   2HG2  ILE  31          2HG2      ILE  31   4.283   7.404   3.910
  275   3HG2  ILE  31          3HG2      ILE  31   4.869   6.927   5.501
  276   1HD1  ILE  31          1HD1      ILE  31   4.527   6.807   7.421
  277   2HD1  ILE  31          2HD1      ILE  31   3.237   5.640   7.707
  278   3HD1  ILE  31          3HD1      ILE  31   3.435   7.018   8.790
  279    H    LEU  32           H        LEU  32   3.247   8.311   2.575
  280    HA   LEU  32           HA       LEU  32   4.332  10.872   3.102
  281   1HB   LEU  32          2HB       LEU  32   4.162   9.808   0.316
  282   2HB   LEU  32          1HB       LEU  32   5.470  10.678   1.092
  283    HG   LEU  32           HG       LEU  32   4.735   7.786   1.496
  284   1HD1  LEU  32          1HD1      LEU  32   6.803   9.237  -0.049
  285   2HD1  LEU  32          2HD1      LEU  32   5.962   7.729  -0.412
  286   3HD1  LEU  32          3HD1      LEU  32   7.284   7.744   0.756
  287   1HD2  LEU  32          1HD2      LEU  32   6.362   7.603   3.152
  288   2HD2  LEU  32          2HD2      LEU  32   5.536   9.107   3.556
  289   3HD2  LEU  32          3HD2      LEU  32   7.096   9.151   2.735
  290    H    LEU  33           H        LEU  33   1.941   9.790   0.714
  291    HA   LEU  33           HA       LEU  33   1.263  12.295  -0.299
  292   1HB   LEU  33          2HB       LEU  33   0.123  10.934  -1.646
  293   2HB   LEU  33          1HB       LEU  33   0.347   9.605  -0.535
  294    HG   LEU  33           HG       LEU  33  -1.896  11.571  -0.165
  295   1HD1  LEU  33          1HD1      LEU  33  -1.621   9.399  -2.155
  296   2HD1  LEU  33          2HD1      LEU  33  -2.577  10.880  -2.214
  297   3HD1  LEU  33          3HD1      LEU  33  -3.150   9.497  -1.281
  298   1HD2  LEU  33          1HD2      LEU  33  -0.927   9.295   1.231
  299   2HD2  LEU  33          2HD2      LEU  33  -2.505   8.896   0.557
  300   3HD2  LEU  33          3HD2      LEU  33  -2.322  10.302   1.607
  301    H    SER  34           H        SER  34   0.027  10.523   2.489
  302    HA   SER  34           HA       SER  34  -2.092  12.257   3.139
  303   1HB   SER  34          2HB       SER  34  -2.047  10.108   4.179
  304   2HB   SER  34          1HB       SER  34  -0.434  10.386   4.834
  305    HG   SER  34           HG       SER  34  -1.261  11.793   6.298
  306    H    THR  35           H        THR  35   1.259  12.124   4.330
  307    HA   THR  35           HA       THR  35   1.093  14.309   6.076
  308    HB   THR  35           HB       THR  35   3.519  13.379   4.530
  309    HG1  THR  35           1HG      THR  35   2.900  11.624   5.617
  310   1HG2  THR  35          1HG2      THR  35   3.359  14.755   7.199
  311   2HG2  THR  35          2HG2      THR  35   3.861  15.512   5.688
  312   3HG2  THR  35          3HG2      THR  35   4.822  14.205   6.381
  313    H    GLU  36           H        GLU  36   2.081  14.168   2.669
  314    HA   GLU  36           HA       GLU  36   2.727  16.891   2.400
  315   1HB   GLU  36          2HB       GLU  36   3.026  14.754   0.806
  316   2HB   GLU  36          1HB       GLU  36   1.603  15.461   0.054
  317   1HG   GLU  36          2HG       GLU  36   2.725  17.357  -0.609
  318   2HG   GLU  36          1HG       GLU  36   3.969  17.179   0.627
  319    H    ARG  37           H        ARG  37  -0.286  15.121   1.820
  320    HA   ARG  37           HA       ARG  37  -1.754  17.313   0.815
  321   1HB   ARG  37          2HB       ARG  37  -2.293  14.569   1.644
  322   2HB   ARG  37          1HB       ARG  37  -3.617  15.656   2.039
  323   1HG   ARG  37          2HG       ARG  37  -3.438  16.451  -0.388
  324   2HG   ARG  37          1HG       ARG  37  -2.469  14.999  -0.647
  325   1HD   ARG  37          2HD       ARG  37  -4.440  14.006  -1.047
  326   2HD   ARG  37          1HD       ARG  37  -4.607  13.996   0.709
  327    HE   ARG  37           HE       ARG  37  -6.245  15.590   0.532
  328   1HH1  ARG  37          1HH1      ARG  37  -4.546  15.364  -2.508
  329   2HH1  ARG  37          2HH1      ARG  37  -5.664  16.382  -3.350
  330   1HH2  ARG  37          1HH2      ARG  37  -7.716  16.929  -0.575
  331   2HH2  ARG  37          2HH2      ARG  37  -7.463  17.271  -2.254
  332    H    PHE  38           H        PHE  38  -1.287  16.031   4.070
  333    HA   PHE  38           HA       PHE  38  -3.159  17.636   5.404
  334   1HB   PHE  38          2HB       PHE  38  -0.753  16.076   6.191
  335   2HB   PHE  38          1HB       PHE  38  -1.332  17.287   7.332
  336    HD1  PHE  38           1HD      PHE  38  -2.437  16.240   9.049
  337    HD2  PHE  38           2HD      PHE  38  -3.099  14.915   5.059
  338    HE1  PHE  38           1HE      PHE  38  -4.140  14.661   9.860
  339    HE2  PHE  38           2HE      PHE  38  -4.804  13.334   5.863
  340    HZ   PHE  38           HZ       PHE  38  -5.327  13.206   8.266
  341    H    ASN  39           H        ASN  39   0.385  18.068   5.399
  342    HA   ASN  39           HA       ASN  39   0.361  20.671   6.414
  343   1HB   ASN  39          2HB       ASN  39   2.446  19.482   4.580
  344   2HB   ASN  39          1HB       ASN  39   2.672  20.810   5.714
  345   1HD2  ASN  39          1HD2      ASN  39   4.453  19.232   6.282
  346   2HD2  ASN  39          2HD2      ASN  39   4.095  18.085   7.523
  347    H    TRP  40           H        TRP  40  -0.400  19.507   3.305
  348    HA   TRP  40           HA       TRP  40   0.227  21.788   1.739
  349   1HB   TRP  40          2HB       TRP  40  -1.253  19.264   1.366
  350   2HB   TRP  40          1HB       TRP  40  -1.850  20.610   0.400
  351    HD1  TRP  40           HD       TRP  40   1.866  20.622   1.037
  352    HE1  TRP  40           1HE      TRP  40   3.107  19.984  -1.126
  353    HE3  TRP  40           3HE      TRP  40  -2.123  19.081  -1.766
  354    HZ2  TRP  40           2HZ      TRP  40   2.480  18.963  -3.681
  355    HZ3  TRP  40           3HZ      TRP  40  -1.716  18.289  -4.061
  356    HH2  TRP  40           HH       TRP  40   0.538  18.232  -4.996
  357    H    LEU  41           H        LEU  41  -2.993  20.523   2.526
  358    HA   LEU  41           HA       LEU  41  -4.282  23.015   2.186
  359   1HB   LEU  41          2HB       LEU  41  -5.454  20.849   2.046
  360   2HB   LEU  41          1HB       LEU  41  -5.168  20.588   3.756
  361    HG   LEU  41           HG       LEU  41  -6.455  23.034   3.708
  362   1HD1  LEU  41          1HD1      LEU  41  -8.126  21.302   1.958
  363   2HD1  LEU  41          2HD1      LEU  41  -6.885  22.318   1.225
  364   3HD1  LEU  41          3HD1      LEU  41  -8.168  23.050   2.190
  365   1HD2  LEU  41          1HD2      LEU  41  -6.721  20.720   5.014
  366   2HD2  LEU  41          2HD2      LEU  41  -8.127  20.608   3.954
  367   3HD2  LEU  41          3HD2      LEU  41  -7.951  21.983   5.045
  368    H    GLU  42           H        GLU  42  -2.333  21.724   4.648
  369    HA   GLU  42           HA       GLU  42  -3.407  22.928   6.918
  370   1HB   GLU  42          2HB       GLU  42  -1.705  21.186   7.055
  371   2HB   GLU  42          1HB       GLU  42  -0.534  22.269   6.317
  372   1HG   GLU  42          2HG       GLU  42  -0.311  23.545   8.211
  373   2HG   GLU  42          1HG       GLU  42  -1.900  23.094   8.829
  374    H    GLY  43           H        GLY  43  -0.448  23.939   5.221
  375   1HA   GLY  43          2HA       GLY  43  -1.280  26.666   5.009
  376   2HA   GLY  43          1HA       GLY  43  -0.157  26.432   6.340
  377    H    ALA  44           H        ALA  44   1.753  24.888   5.570
  378    HA   ALA  44           HA       ALA  44   3.467  24.431   4.113
  379   1HB   ALA  44          1HB       ALA  44   1.614  24.968   2.303
  380   2HB   ALA  44          2HB       ALA  44   3.318  24.794   1.881
  381   3HB   ALA  44          3HB       ALA  44   2.616  26.401   2.074
  382    H    SER  45           H        SER  45   3.005  26.826   5.993
  383    HA   SER  45           HA       SER  45   4.337  28.456   6.862
  384   1HB   SER  45          2HB       SER  45   6.146  26.756   5.784
  385   2HB   SER  45          1HB       SER  45   6.479  28.201   4.829
  386    H    THR  46           H        THR  46   2.406  28.954   4.783
  387    HA   THR  46           HA       THR  46   3.335  31.588   3.979
  388    HB   THR  46           HB       THR  46   3.041  31.347   1.681
  389    HG1  THR  46           1HG      THR  46   1.732  28.872   2.122
  390   1HG2  THR  46          1HG2      THR  46   4.356  29.543   0.924
  391   2HG2  THR  46          2HG2      THR  46   3.970  28.572   2.344
  392   3HG2  THR  46          3HG2      THR  46   4.993  30.000   2.503
  393    H    LYS  47           H        LYS  47   0.715  29.240   4.220
  394    HA   LYS  47           HA       LYS  47  -1.348  31.156   3.697
  395   1HB   LYS  47          2HB       LYS  47  -1.174  28.345   3.979
  396   2HB   LYS  47          1HB       LYS  47  -2.327  28.907   5.181
  397   1HG   LYS  47          2HG       LYS  47  -3.700  29.904   3.525
  398   2HG   LYS  47          1HG       LYS  47  -2.469  29.679   2.279
  399   1HD   LYS  47          2HD       LYS  47  -2.710  27.245   2.498
  400   2HD   LYS  47          1HD       LYS  47  -3.960  27.485   3.722
  401   1HE   LYS  47          2HE       LYS  47  -4.054  28.172   0.796
  402   2HE   LYS  47          1HE       LYS  47  -5.099  27.072   1.694
  403   1HZ   LYS  47          1HZ       LYS  47  -5.177  29.983   1.519
  404   2HZ   LYS  47          2HZ       LYS  47  -5.584  29.299   3.011
  405   3HZ   LYS  47          3HZ       LYS  47  -6.448  28.870   1.621
  406    HA   PRO  48           HA       PRO  48  -2.096  31.024   8.451
  407   1HB   PRO  48          2HB       PRO  48  -0.291  29.732  10.011
  408   2HB   PRO  48          1HB       PRO  48  -1.699  28.928   9.307
  409   1HG   PRO  48          2HG       PRO  48   1.142  28.944   8.362
  410   2HG   PRO  48          1HG       PRO  48   0.003  27.587   8.461
  411   1HD   PRO  48          2HD       PRO  48   0.527  28.880   6.142
  412   2HD   PRO  48          1HD       PRO  48  -1.063  28.176   6.503
  413    H    VAL  49           H        VAL  49  -1.607  33.164   8.559
  414    HA   VAL  49           HA       VAL  49   1.009  33.858   9.648
  415    HB   VAL  49           HB       VAL  49   1.216  34.185   7.207
  416   1HG1  VAL  49          1HG1      VAL  49  -0.572  36.528   7.205
  417   2HG1  VAL  49          2HG1      VAL  49  -1.364  34.952   7.228
  418   3HG1  VAL  49          3HG1      VAL  49  -0.235  35.353   5.934
  419   1HG2  VAL  49          1HG2      VAL  49   2.419  36.114   7.406
  420   2HG2  VAL  49          2HG2      VAL  49   2.171  35.750   9.113
  421   3HG2  VAL  49          3HG2      VAL  49   1.152  36.943   8.309
  422    H    GLN  50           H        GLN  50  -1.533  33.696  10.881
  423    HA   GLN  50           HA       GLN  50  -3.069  34.880  12.097
  424   1HB   GLN  50          2HB       GLN  50  -0.604  35.416  12.990
  425   2HB   GLN  50          1HB       GLN  50  -1.087  37.046  12.544
  426   1HG   GLN  50          2HG       GLN  50  -2.907  35.383  14.216
  427   2HG   GLN  50          1HG       GLN  50  -1.504  36.155  14.953
  428   1HE2  GLN  50          1HE2      GLN  50  -1.699  38.189  15.591
  429   2HE2  GLN  50          2HE2      GLN  50  -2.985  39.261  15.164
  430    H    THR  51           H        THR  51  -4.349  35.411  10.201
  431    HA   THR  51           HA       THR  51  -4.764  38.247   9.981
  432    HB   THR  51           HB       THR  51  -3.689  36.622   7.691
  433    HG1  THR  51           1HG      THR  51  -2.222  38.211   7.600
  434   1HG2  THR  51          1HG2      THR  51  -5.565  38.910   7.533
  435   2HG2  THR  51          2HG2      THR  51  -5.384  37.513   6.472
  436   3HG2  THR  51          3HG2      THR  51  -4.221  38.836   6.394
  437    H    SER  52           H        SER  52  -5.540  35.576   7.767
  438    HA   SER  52           HA       SER  52  -8.269  35.466   8.763
  439   1HB   SER  52          2HB       SER  52  -8.291  37.290   7.076
  440   2HB   SER  52          1HB       SER  52  -7.697  36.150   5.868
  441    HG   SER  52           HG       SER  52 -10.076  36.539   6.046
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1   3.647 -32.468  -4.277
    2    HA   MET   1           HA       MET   1   4.424 -34.037  -2.043
    3   1HB   MET   1          2HB       MET   1   6.081 -31.566  -2.542
    4   2HB   MET   1          1HB       MET   1   5.913 -32.278  -0.943
    5   1HG   MET   1          2HG       MET   1   6.867 -33.874  -3.292
    6   2HG   MET   1          1HG       MET   1   7.964 -32.902  -2.314
    7   1HE   MET   1          1HE       MET   1   6.283 -36.070  -2.926
    8   2HE   MET   1          2HE       MET   1   6.842 -37.099  -1.609
    9   3HE   MET   1          3HE       MET   1   8.009 -36.348  -2.697
   10    H    TRP   2           H        TRP   2   2.154 -33.710  -1.814
   11    HA   TRP   2           HA       TRP   2   0.221 -32.613  -1.225
   12   1HB   TRP   2          2HB       TRP   2   2.272 -32.206   0.874
   13   2HB   TRP   2          1HB       TRP   2   0.808 -31.238   1.015
   14    HD1  TRP   2           HD       TRP   2   2.137 -34.693   1.607
   15    HE1  TRP   2           1HE      TRP   2   0.263 -36.201   2.520
   16    HE3  TRP   2           3HE      TRP   2  -1.861 -31.616   0.773
   17    HZ2  TRP   2           2HZ      TRP   2  -2.540 -36.101   2.844
   18    HZ3  TRP   2           3HZ      TRP   2  -4.104 -32.399   1.412
   19    HH2  TRP   2           HH       TRP   2  -4.435 -34.595   2.426
   20    H    ARG   3           H        ARG   3   0.452 -31.233  -3.217
   21    HA   ARG   3           HA       ARG   3   0.401 -29.223  -4.297
   22   1HB   ARG   3          2HB       ARG   3  -0.835 -28.649  -1.624
   23   2HB   ARG   3          1HB       ARG   3  -0.653 -27.365  -2.811
   24   1HG   ARG   3          2HG       ARG   3  -2.669 -28.018  -3.516
   25   2HG   ARG   3          1HG       ARG   3  -1.791 -29.326  -4.312
   26   1HD   ARG   3          2HD       ARG   3  -3.636 -30.257  -3.082
   27   2HD   ARG   3          1HD       ARG   3  -2.129 -30.720  -2.293
   28    HE   ARG   3           HE       ARG   3  -2.853 -28.486  -0.958
   29   1HH1  ARG   3          1HH1      ARG   3  -4.545 -31.435  -1.749
   30   2HH1  ARG   3          2HH1      ARG   3  -5.546 -31.385  -0.337
   31   1HH2  ARG   3          1HH2      ARG   3  -4.169 -28.420   0.899
   32   2HH2  ARG   3          2HH2      ARG   3  -5.334 -29.674   1.166
   33    H    ILE   4           H        ILE   4   2.910 -29.872  -3.005
   34    HA   ILE   4           HA       ILE   4   4.908 -28.940  -2.418
   35    HB   ILE   4           HB       ILE   4   3.882 -26.505  -3.873
   36   1HG1  ILE   4          2HG1      ILE   4   3.535 -28.531  -5.229
   37   2HG1  ILE   4          1HG1      ILE   4   4.796 -27.509  -5.912
   38   1HG2  ILE   4          1HG2      ILE   4   6.008 -25.750  -3.937
   39   2HG2  ILE   4          2HG2      ILE   4   6.693 -27.369  -4.073
   40   3HG2  ILE   4          3HG2      ILE   4   6.182 -26.758  -2.500
   41   1HD1  ILE   4          1HD1      ILE   4   6.076 -29.312  -5.986
   42   2HD1  ILE   4          2HD1      ILE   4   4.921 -30.244  -5.033
   43   3HD1  ILE   4          3HD1      ILE   4   6.140 -29.258  -4.224
   44    H    TRP   5           H        TRP   5   3.389 -28.886  -0.279
   45    HA   TRP   5           HA       TRP   5   2.653 -27.737   1.589
   46   1HB   TRP   5          2HB       TRP   5   5.553 -27.189   1.147
   47   2HB   TRP   5          1HB       TRP   5   4.743 -26.383   2.486
   48    HD1  TRP   5           HD       TRP   5   4.379 -30.055   1.274
   49    HE1  TRP   5           1HE      TRP   5   4.854 -31.597   3.279
   50    HE3  TRP   5           3HE      TRP   5   5.601 -26.512   4.752
   51    HZ2  TRP   5           2HZ      TRP   5   5.643 -31.345   5.978
   52    HZ3  TRP   5           3HZ      TRP   5   6.203 -27.246   7.022
   53    HH2  TRP   5           HH       TRP   5   6.223 -29.613   7.621
   54    H    GLN   6           H        GLN   6   1.776 -26.353  -0.690
   55    HA   GLN   6           HA       GLN   6   1.259 -24.268  -1.542
   56   1HB   GLN   6          2HB       GLN   6   0.459 -24.381   1.331
   57   2HB   GLN   6          1HB       GLN   6   0.213 -22.881   0.446
   58   1HG   GLN   6          2HG       GLN   6  -1.069 -24.170  -1.251
   59   2HG   GLN   6          1HG       GLN   6  -0.928 -25.586  -0.212
   60   1HE2  GLN   6          1HE2      GLN   6  -1.361 -24.633   2.252
   61   2HE2  GLN   6          2HE2      GLN   6  -2.943 -23.953   2.384
   62    H    LEU   7           H        LEU   7   4.044 -24.376  -0.949
   63    HA   LEU   7           HA       LEU   7   4.723 -21.894   0.382
   64   1HB   LEU   7          2HB       LEU   7   6.414 -23.946  -1.047
   65   2HB   LEU   7          1HB       LEU   7   7.059 -22.520  -0.257
   66    HG   LEU   7           HG       LEU   7   5.603 -24.796   1.089
   67   1HD1  LEU   7          1HD1      LEU   7   8.486 -23.965   0.969
   68   2HD1  LEU   7          2HD1      LEU   7   7.774 -25.527   0.563
   69   3HD1  LEU   7          3HD1      LEU   7   7.851 -25.004   2.245
   70   1HD2  LEU   7          1HD2      LEU   7   5.074 -22.701   2.185
   71   2HD2  LEU   7          2HD2      LEU   7   6.785 -22.274   2.244
   72   3HD2  LEU   7          3HD2      LEU   7   6.184 -23.640   3.182
   73    H    PHE   8           H        PHE   8   4.489 -23.156  -2.881
   74    HA   PHE   8           HA       PHE   8   4.784 -20.424  -3.898
   75   1HB   PHE   8          2HB       PHE   8   6.850 -22.155  -4.143
   76   2HB   PHE   8          1HB       PHE   8   5.946 -22.544  -5.604
   77    HD1  PHE   8           1HD      PHE   8   5.808 -21.002  -7.425
   78    HD2  PHE   8           2HD      PHE   8   7.778 -19.915  -3.813
   79    HE1  PHE   8           1HE      PHE   8   6.787 -19.048  -8.552
   80    HE2  PHE   8           2HE      PHE   8   8.761 -17.957  -4.933
   81    HZ   PHE   8           HZ       PHE   8   8.266 -17.522  -7.306
   82    H    ASP   9           H        ASP   9   2.411 -21.864  -3.438
   83    HA   ASP   9           HA       ASP   9   1.483 -23.114  -5.828
   84   1HB   ASP   9          2HB       ASP   9   0.282 -22.271  -3.241
   85   2HB   ASP   9          1HB       ASP   9  -0.814 -22.481  -4.603
   86    HA   PRO  10           HA       PRO  10   0.187 -19.734  -8.322
   87   1HB   PRO  10          2HB       PRO  10  -2.334 -20.460  -9.105
   88   2HB   PRO  10          1HB       PRO  10  -0.856 -21.154  -9.779
   89   1HG   PRO  10          2HG       PRO  10  -2.670 -22.245  -7.665
   90   2HG   PRO  10          1HG       PRO  10  -1.886 -23.089  -9.013
   91   1HD   PRO  10          2HD       PRO  10  -0.931 -23.222  -6.499
   92   2HD   PRO  10          1HD       PRO  10   0.143 -23.227  -7.913
   93    H    ARG  11           H        ARG  11  -2.565 -20.796  -6.306
   94    HA   ARG  11           HA       ARG  11  -3.698 -18.182  -6.175
   95   1HB   ARG  11          2HB       ARG  11  -4.260 -20.526  -4.354
   96   2HB   ARG  11          1HB       ARG  11  -5.299 -19.139  -4.646
   97   1HG   ARG  11          2HG       ARG  11  -4.525 -21.150  -6.746
   98   2HG   ARG  11          1HG       ARG  11  -6.020 -21.200  -5.810
   99   1HD   ARG  11          2HD       ARG  11  -6.956 -19.507  -6.971
  100   2HD   ARG  11          1HD       ARG  11  -5.432 -18.635  -7.130
  101    HE   ARG  11           HE       ARG  11  -5.210 -20.849  -8.755
  102   1HH1  ARG  11          1HH1      ARG  11  -7.322 -18.080  -8.529
  103   2HH1  ARG  11          2HH1      ARG  11  -7.655 -18.038 -10.228
  104   1HH2  ARG  11          1HH2      ARG  11  -5.646 -20.794 -10.991
  105   2HH2  ARG  11          2HH2      ARG  11  -6.704 -19.578 -11.625
  106    H    GLN  12           H        GLN  12  -1.933 -20.198  -3.834
  107    HA   GLN  12           HA       GLN  12  -1.964 -18.402  -1.699
  108   1HB   GLN  12          2HB       GLN  12   0.250 -20.345  -2.368
  109   2HB   GLN  12          1HB       GLN  12  -0.121 -19.677  -0.785
  110   1HG   GLN  12          2HG       GLN  12  -1.804 -21.585  -2.386
  111   2HG   GLN  12          1HG       GLN  12  -0.925 -21.927  -0.898
  112   1HE2  GLN  12          1HE2      GLN  12  -1.526 -20.003   0.780
  113   2HE2  GLN  12          2HE2      GLN  12  -3.226 -19.891   1.064
  114    H    ALA  13           H        ALA  13   0.578 -18.897  -4.150
  115    HA   ALA  13           HA       ALA  13   2.257 -16.830  -3.251
  116   1HB   ALA  13          1HB       ALA  13   3.411 -17.056  -5.355
  117   2HB   ALA  13          2HB       ALA  13   2.036 -17.907  -6.058
  118   3HB   ALA  13          3HB       ALA  13   2.966 -18.655  -4.760
  119    H    LEU  14           H        LEU  14  -0.438 -16.856  -5.521
  120    HA   LEU  14           HA       LEU  14  -0.036 -14.249  -6.551
  121   1HB   LEU  14          2HB       LEU  14  -2.304 -16.186  -6.493
  122   2HB   LEU  14          1HB       LEU  14  -2.644 -14.520  -6.922
  123    HG   LEU  14           HG       LEU  14  -0.533 -16.129  -8.338
  124   1HD1  LEU  14          1HD1      LEU  14  -2.935 -17.105  -8.370
  125   2HD1  LEU  14          2HD1      LEU  14  -2.051 -16.923  -9.885
  126   3HD1  LEU  14          3HD1      LEU  14  -3.284 -15.744  -9.435
  127   1HD2  LEU  14          1HD2      LEU  14  -0.489 -14.432  -9.884
  128   2HD2  LEU  14          2HD2      LEU  14  -0.809 -13.524  -8.406
  129   3HD2  LEU  14          3HD2      LEU  14  -2.130 -13.903  -9.512
  130    H    VAL  15           H        VAL  15  -1.899 -15.520  -3.833
  131    HA   VAL  15           HA       VAL  15  -3.110 -13.049  -3.125
  132    HB   VAL  15           HB       VAL  15  -2.536 -15.409  -1.322
  133   1HG1  VAL  15          1HG1      VAL  15  -4.480 -13.115  -1.106
  134   2HG1  VAL  15          2HG1      VAL  15  -3.120 -13.470  -0.041
  135   3HG1  VAL  15          3HG1      VAL  15  -4.516 -14.547  -0.077
  136   1HG2  VAL  15          1HG2      VAL  15  -4.061 -15.452  -3.606
  137   2HG2  VAL  15          2HG2      VAL  15  -5.251 -15.115  -2.350
  138   3HG2  VAL  15          3HG2      VAL  15  -4.231 -16.548  -2.235
  139    H    GLY  16           H        GLY  16   0.019 -14.430  -2.629
  140   1HA   GLY  16          2HA       GLY  16   0.749 -12.833  -0.364
  141   2HA   GLY  16          1HA       GLY  16   1.842 -13.760  -1.386
  142    H    LEU  17           H        LEU  17   1.440 -12.690  -3.837
  143    HA   LEU  17           HA       LEU  17   2.985 -10.336  -3.771
  144   1HB   LEU  17          2HB       LEU  17   1.299 -10.752  -6.157
  145   2HB   LEU  17          1HB       LEU  17   3.021 -10.455  -6.039
  146    HG   LEU  17           HG       LEU  17   1.596 -13.084  -5.721
  147   1HD1  LEU  17          1HD1      LEU  17   3.077 -13.703  -7.622
  148   2HD1  LEU  17          2HD1      LEU  17   3.553 -12.008  -7.732
  149   3HD1  LEU  17          3HD1      LEU  17   1.873 -12.472  -8.005
  150   1HD2  LEU  17          1HD2      LEU  17   3.260 -13.321  -4.139
  151   2HD2  LEU  17          2HD2      LEU  17   4.368 -12.250  -4.993
  152   3HD2  LEU  17          3HD2      LEU  17   4.076 -13.881  -5.598
  153    H    ALA  18           H        ALA  18  -0.395 -10.812  -4.717
  154    HA   ALA  18           HA       ALA  18  -1.127  -8.168  -5.056
  155   1HB   ALA  18          1HB       ALA  18  -2.974 -10.233  -3.889
  156   2HB   ALA  18          2HB       ALA  18  -2.475 -10.248  -5.580
  157   3HB   ALA  18          3HB       ALA  18  -3.375  -8.873  -4.939
  158    H    THR  19           H        THR  19  -1.408 -10.112  -2.074
  159    HA   THR  19           HA       THR  19  -2.406  -7.982  -0.496
  160    HB   THR  19           HB       THR  19  -0.941 -10.483   0.375
  161    HG1  THR  19           1HG      THR  19  -2.856 -11.455   0.356
  162   1HG2  THR  19          1HG2      THR  19  -0.973  -9.249   2.311
  163   2HG2  THR  19          2HG2      THR  19  -2.505 -10.118   2.409
  164   3HG2  THR  19          3HG2      THR  19  -2.479  -8.432   1.893
  165    H    PHE  20           H        PHE  20   0.798  -9.065  -1.326
  166    HA   PHE  20           HA       PHE  20   2.290  -7.746   0.633
  167   1HB   PHE  20          2HB       PHE  20   2.817  -8.977  -1.978
  168   2HB   PHE  20          1HB       PHE  20   3.928  -7.675  -1.571
  169    HD1  PHE  20           1HD      PHE  20   5.912  -8.798  -1.119
  170    HD2  PHE  20           2HD      PHE  20   2.304 -10.100   0.724
  171    HE1  PHE  20           1HE      PHE  20   7.200 -10.337   0.305
  172    HE2  PHE  20           2HE      PHE  20   3.586 -11.640   2.153
  173    HZ   PHE  20           HZ       PHE  20   6.036 -11.759   1.944
  174    H    LEU  21           H        LEU  21   2.052  -6.674  -2.772
  175    HA   LEU  21           HA       LEU  21   2.928  -4.071  -2.176
  176   1HB   LEU  21          2HB       LEU  21   2.766  -3.625  -4.405
  177   2HB   LEU  21          1HB       LEU  21   2.812  -5.372  -4.447
  178    HG   LEU  21           HG       LEU  21   1.186  -4.667  -6.022
  179   1HD1  LEU  21          1HD1      LEU  21  -0.888  -5.303  -4.148
  180   2HD1  LEU  21          2HD1      LEU  21   0.531  -6.310  -3.861
  181   3HD1  LEU  21          3HD1      LEU  21  -0.217  -6.275  -5.458
  182   1HD2  LEU  21          1HD2      LEU  21  -0.228  -2.934  -5.819
  183   2HD2  LEU  21          2HD2      LEU  21   0.881  -2.437  -4.540
  184   3HD2  LEU  21          3HD2      LEU  21  -0.606  -3.297  -4.135
  185    H    PHE  22           H        PHE  22  -0.257  -5.506  -2.221
  186    HA   PHE  22           HA       PHE  22  -1.808  -3.175  -2.261
  187   1HB   PHE  22          2HB       PHE  22  -2.827  -5.357  -2.548
  188   2HB   PHE  22          1HB       PHE  22  -2.342  -5.837  -0.926
  189    HD1  PHE  22           1HD      PHE  22  -4.095  -5.965   0.535
  190    HD2  PHE  22           2HD      PHE  22  -4.111  -2.906  -2.423
  191    HE1  PHE  22           1HE      PHE  22  -6.233  -5.127   1.418
  192    HE2  PHE  22           2HE      PHE  22  -6.248  -2.061  -1.544
  193    HZ   PHE  22           HZ       PHE  22  -7.312  -3.172   0.380
  194    H    VAL  23           H        VAL  23  -0.800  -5.110   0.555
  195    HA   VAL  23           HA       VAL  23  -1.685  -3.253   2.469
  196    HB   VAL  23           HB       VAL  23  -0.603  -4.596   4.094
  197   1HG1  VAL  23          1HG1      VAL  23  -2.231  -6.061   3.692
  198   2HG1  VAL  23          2HG1      VAL  23  -1.060  -6.984   2.752
  199   3HG1  VAL  23          3HG1      VAL  23  -2.108  -5.815   1.950
  200   1HG2  VAL  23          1HG2      VAL  23   0.986  -6.413   3.485
  201   2HG2  VAL  23          2HG2      VAL  23   1.619  -4.788   3.231
  202   3HG2  VAL  23          3HG2      VAL  23   1.052  -5.740   1.859
  203    H    LEU  24           H        LEU  24   1.594  -3.968   1.287
  204    HA   LEU  24           HA       LEU  24   3.028  -2.147   2.768
  205   1HB   LEU  24          2HB       LEU  24   3.764  -3.932   1.026
  206   2HB   LEU  24          1HB       LEU  24   3.642  -2.617  -0.128
  207    HG   LEU  24           HG       LEU  24   5.932  -2.896   0.635
  208   1HD1  LEU  24          1HD1      LEU  24   5.023  -0.644   0.079
  209   2HD1  LEU  24          2HD1      LEU  24   6.392  -0.616   1.192
  210   3HD1  LEU  24          3HD1      LEU  24   4.753  -0.384   1.803
  211   1HD2  LEU  24          1HD2      LEU  24   6.603  -2.868   2.842
  212   2HD2  LEU  24          2HD2      LEU  24   5.068  -3.730   2.948
  213   3HD2  LEU  24          3HD2      LEU  24   5.152  -2.022   3.382
  214    H    ALA  25           H        ALA  25   1.741  -1.640  -0.506
  215    HA   ALA  25           HA       ALA  25   2.418   1.056  -0.727
  216   1HB   ALA  25          1HB       ALA  25   0.072  -0.303  -2.039
  217   2HB   ALA  25          2HB       ALA  25   1.740  -0.419  -2.601
  218   3HB   ALA  25          3HB       ALA  25   0.917   1.140  -2.597
  219    H    LEU  26           H        LEU  26  -0.408  -0.465   0.743
  220    HA   LEU  26           HA       LEU  26  -1.969   1.876   0.910
  221   1HB   LEU  26          2HB       LEU  26  -3.518   0.601   1.918
  222   2HB   LEU  26          1HB       LEU  26  -2.498  -0.705   1.362
  223    HG   LEU  26           HG       LEU  26  -1.397  -0.589   3.686
  224   1HD1  LEU  26          1HD1      LEU  26  -3.429   0.186   5.274
  225   2HD1  LEU  26          2HD1      LEU  26  -3.594   1.351   3.959
  226   3HD1  LEU  26          3HD1      LEU  26  -2.072   1.225   4.840
  227   1HD2  LEU  26          1HD2      LEU  26  -4.195  -1.440   4.034
  228   2HD2  LEU  26          2HD2      LEU  26  -2.694  -2.329   4.295
  229   3HD2  LEU  26          3HD2      LEU  26  -3.334  -2.138   2.662
  230    H    LEU  27           H        LEU  27   0.135   0.347   3.368
  231    HA   LEU  27           HA       LEU  27  -0.261   2.402   5.275
  232   1HB   LEU  27          2HB       LEU  27   2.081   1.454   6.097
  233   2HB   LEU  27          1HB       LEU  27   0.572   0.612   6.374
  234   1HD1  LEU  27          1HD1      LEU  27   3.468  -1.166   5.983
  235   2HD1  LEU  27          2HD1      LEU  27   3.722   0.508   5.490
  236   3HD1  LEU  27          3HD1      LEU  27   3.819  -0.788   4.297
  237   1HD2  LEU  27          1HD2      LEU  27   0.018  -1.358   5.349
  238   2HD2  LEU  27          2HD2      LEU  27   1.389  -1.822   6.356
  239   3HD2  LEU  27          3HD2      LEU  27   1.303  -2.364   4.681
  240    H    ILE  28           H        ILE  28   2.386   1.798   2.977
  241    HA   ILE  28           HA       ILE  28   3.943   4.023   3.671
  242    HB   ILE  28           HB       ILE  28   3.782   2.256   1.273
  243   1HG1  ILE  28          2HG1      ILE  28   6.133   1.863   1.824
  244   2HG1  ILE  28          1HG1      ILE  28   6.072   3.125   3.050
  245   1HG2  ILE  28          1HG2      ILE  28   5.665   3.606   0.246
  246   2HG2  ILE  28          2HG2      ILE  28   5.182   4.917   1.321
  247   3HG2  ILE  28          3HG2      ILE  28   4.048   4.299   0.121
  248   1HD1  ILE  28          1HD1      ILE  28   5.825   0.560   3.636
  249   2HD1  ILE  28          2HD1      ILE  28   4.132   0.905   3.284
  250   3HD1  ILE  28          3HD1      ILE  28   4.975   1.815   4.536
  251    H    HIS  29           H        HIS  29   1.731   3.669   0.880
  252    HA   HIS  29           HA       HIS  29   1.851   6.296  -0.003
  253   1HB   HIS  29          2HB       HIS  29   0.775   4.420  -1.236
  254   2HB   HIS  29          1HB       HIS  29  -0.573   4.488  -0.104
  255    HD1  HIS  29           1HD      HIS  29  -2.497   5.651  -1.106
  256    HD2  HIS  29           2HD      HIS  29   1.110   7.273  -2.384
  257    HE1  HIS  29           1HE      HIS  29  -3.117   7.533  -2.655
  258    HE2  HIS  29           2HE      HIS  29  -0.920   8.549  -3.354
  259    H    PHE  30           H        PHE  30  -0.032   4.886   2.582
  260    HA   PHE  30           HA       PHE  30  -1.795   7.024   3.028
  261   1HB   PHE  30          2HB       PHE  30  -2.180   4.804   3.977
  262   2HB   PHE  30          1HB       PHE  30  -0.738   4.961   4.972
  263    HD1  PHE  30           1HD      PHE  30  -4.161   6.201   4.436
  264    HD2  PHE  30           2HD      PHE  30  -0.773   6.174   7.011
  265    HE1  PHE  30           1HE      PHE  30  -5.516   7.214   6.223
  266    HE2  PHE  30           2HE      PHE  30  -2.122   7.187   8.802
  267    HZ   PHE  30           HZ       PHE  30  -4.498   7.708   8.409
  268    H    ILE  31           H        ILE  31   1.465   6.333   4.232
  269    HA   ILE  31           HA       ILE  31   1.485   8.512   6.069
  270    HB   ILE  31           HB       ILE  31   3.056   6.331   5.802
  271   1HG1  ILE  31          2HG1      ILE  31   4.641   7.598   7.396
  272   2HG1  ILE  31          1HG1      ILE  31   3.540   8.957   7.187
  273   1HG2  ILE  31          1HG2      ILE  31   5.305   6.984   5.187
  274   2HG2  ILE  31          2HG2      ILE  31   4.749   8.609   4.790
  275   3HG2  ILE  31          3HG2      ILE  31   4.206   7.233   3.831
  276   1HD1  ILE  31          1HD1      ILE  31   3.051   6.316   8.491
  277   2HD1  ILE  31          2HD1      ILE  31   1.708   7.279   7.874
  278   3HD1  ILE  31          3HD1      ILE  31   2.773   7.943   9.114
  279    H    LEU  32           H        LEU  32   2.820   8.053   2.798
  280    HA   LEU  32           HA       LEU  32   4.007  10.610   2.601
  281   1HB   LEU  32          2HB       LEU  32   2.931   9.253   0.171
  282   2HB   LEU  32          1HB       LEU  32   4.435  10.127   0.382
  283    HG   LEU  32           HG       LEU  32   3.819   7.338   1.335
  284   1HD1  LEU  32          1HD1      LEU  32   4.307   7.144  -0.911
  285   2HD1  LEU  32          2HD1      LEU  32   5.896   6.951  -0.169
  286   3HD1  LEU  32          3HD1      LEU  32   5.440   8.497  -0.888
  287   1HD2  LEU  32          1HD2      LEU  32   5.871   7.242   2.414
  288   2HD2  LEU  32          2HD2      LEU  32   5.281   8.846   2.845
  289   3HD2  LEU  32          3HD2      LEU  32   6.490   8.664   1.574
  290    H    LEU  33           H        LEU  33   0.944   9.371   1.297
  291    HA   LEU  33           HA       LEU  33   0.008  11.775   0.241
  292   1HB   LEU  33          2HB       LEU  33  -1.593  10.386  -0.448
  293   2HB   LEU  33          1HB       LEU  33  -0.958   9.140   0.595
  294    HG   LEU  33           HG       LEU  33  -2.903  11.171   1.646
  295   1HD1  LEU  33          1HD1      LEU  33  -3.661   8.520   0.440
  296   2HD1  LEU  33          2HD1      LEU  33  -3.808  10.056  -0.413
  297   3HD1  LEU  33          3HD1      LEU  33  -4.734   9.773   1.062
  298   1HD2  LEU  33          1HD2      LEU  33  -2.560  10.027   3.518
  299   2HD2  LEU  33          2HD2      LEU  33  -1.508   8.892   2.674
  300   3HD2  LEU  33          3HD2      LEU  33  -3.246   8.602   2.737
  301    H    SER  34           H        SER  34  -0.263  10.409   3.475
  302    HA   SER  34           HA       SER  34  -2.040  12.291   4.563
  303   1HB   SER  34          2HB       SER  34  -1.634  10.269   5.773
  304   2HB   SER  34          1HB       SER  34   0.099  10.586   5.844
  305    HG   SER  34           HG       SER  34  -1.564  11.176   7.683
  306    H    THR  35           H        THR  35   1.515  12.149   4.841
  307    HA   THR  35           HA       THR  35   1.813  14.610   6.151
  308    HB   THR  35           HB       THR  35   3.792  13.248   4.315
  309    HG1  THR  35           1HG      THR  35   3.181  11.829   5.919
  310   1HG2  THR  35          1HG2      THR  35   4.125  15.321   6.454
  311   2HG2  THR  35          2HG2      THR  35   4.690  15.358   4.783
  312   3HG2  THR  35          3HG2      THR  35   5.443  14.264   5.944
  313    H    GLU  36           H        GLU  36   2.090  13.829   2.699
  314    HA   GLU  36           HA       GLU  36   2.698  16.419   1.816
  315   1HB   GLU  36          2HB       GLU  36   2.902  14.230   0.529
  316   2HB   GLU  36          1HB       GLU  36   1.178  14.369   0.212
  317   1HG   GLU  36          2HG       GLU  36   1.437  16.108  -1.232
  318   2HG   GLU  36          1HG       GLU  36   2.898  16.694  -0.438
  319    H    ARG  37           H        ARG  37  -0.373  14.795   2.392
  320    HA   ARG  37           HA       ARG  37  -2.039  16.724   1.180
  321   1HB   ARG  37          2HB       ARG  37  -2.832  14.479   1.759
  322   2HB   ARG  37          1HB       ARG  37  -2.627  14.835   3.469
  323   1HG   ARG  37          2HG       ARG  37  -4.553  15.981   3.595
  324   2HG   ARG  37          1HG       ARG  37  -4.334  16.724   2.008
  325   1HD   ARG  37          2HD       ARG  37  -6.156  15.360   1.640
  326   2HD   ARG  37          1HD       ARG  37  -4.824  14.329   1.118
  327    HE   ARG  37           HE       ARG  37  -5.429  13.930   3.867
  328   1HH1  ARG  37          1HH1      ARG  37  -6.527  13.162   0.645
  329   2HH1  ARG  37          2HH1      ARG  37  -7.304  11.690   1.125
  330   1HH2  ARG  37          1HH2      ARG  37  -6.450  11.994   4.500
  331   2HH2  ARG  37          2HH2      ARG  37  -7.261  11.028   3.314
  332    H    PHE  38           H        PHE  38  -0.899  16.325   4.514
  333    HA   PHE  38           HA       PHE  38  -2.296  18.489   5.630
  334   1HB   PHE  38          2HB       PHE  38  -0.810  16.561   6.707
  335   2HB   PHE  38          1HB       PHE  38   0.425  17.814   6.652
  336    HD1  PHE  38           1HD      PHE  38  -1.889  16.350   8.707
  337    HD2  PHE  38           2HD      PHE  38  -0.598  20.211   7.467
  338    HE1  PHE  38           1HE      PHE  38  -2.784  17.314  10.786
  339    HE2  PHE  38           2HE      PHE  38  -1.490  21.181   9.545
  340    HZ   PHE  38           HZ       PHE  38  -2.585  19.732  11.207
  341    H    ASN  39           H        ASN  39   1.148  18.337   4.702
  342    HA   ASN  39           HA       ASN  39   1.633  21.086   4.929
  343   1HB   ASN  39          2HB       ASN  39   3.009  18.917   3.353
  344   2HB   ASN  39          1HB       ASN  39   3.596  20.576   3.382
  345   1HD2  ASN  39          1HD2      ASN  39   5.283  18.723   4.227
  346   2HD2  ASN  39          2HD2      ASN  39   5.450  18.751   5.947
  347    H    TRP  40           H        TRP  40  -0.037  19.313   2.550
  348    HA   TRP  40           HA       TRP  40   0.367  20.998   0.300
  349   1HB   TRP  40          2HB       TRP  40  -1.351  18.707   0.980
  350   2HB   TRP  40          1HB       TRP  40  -2.095  19.853  -0.128
  351    HD1  TRP  40           HD       TRP  40   1.662  19.359  -0.372
  352    HE1  TRP  40           1HE      TRP  40   2.204  18.118  -2.561
  353    HE3  TRP  40           3HE      TRP  40  -3.087  18.110  -1.798
  354    HZ2  TRP  40           2HZ      TRP  40   0.806  16.787  -4.620
  355    HZ3  TRP  40           3HZ      TRP  40  -3.398  16.853  -3.891
  356    HH2  TRP  40           HH       TRP  40  -1.491  16.207  -5.272
  357    H    LEU  41           H        LEU  41  -2.617  20.487   2.153
  358    HA   LEU  41           HA       LEU  41  -3.746  22.970   1.414
  359   1HB   LEU  41          2HB       LEU  41  -5.162  21.158   2.164
  360   2HB   LEU  41          1HB       LEU  41  -4.346  21.108   3.715
  361    HG   LEU  41           HG       LEU  41  -5.229  23.378   4.212
  362   1HD1  LEU  41          1HD1      LEU  41  -7.250  23.172   2.081
  363   2HD1  LEU  41          2HD1      LEU  41  -5.628  23.628   1.562
  364   3HD1  LEU  41          3HD1      LEU  41  -6.469  24.591   2.776
  365   1HD2  LEU  41          1HD2      LEU  41  -7.084  21.090   3.650
  366   2HD2  LEU  41          2HD2      LEU  41  -7.670  22.597   4.354
  367   3HD2  LEU  41          3HD2      LEU  41  -6.445  21.648   5.197
  368    H    GLU  42           H        GLU  42  -1.305  22.087   3.605
  369    HA   GLU  42           HA       GLU  42  -1.616  24.019   5.590
  370   1HB   GLU  42          2HB       GLU  42  -0.115  22.122   5.866
  371   2HB   GLU  42          1HB       GLU  42   0.910  22.736   4.577
  372   1HG   GLU  42          2HG       GLU  42   1.190  24.815   6.019
  373   2HG   GLU  42          1HG       GLU  42   0.490  23.855   7.324
  374    H    GLY  43           H        GLY  43   0.894  24.023   3.076
  375   1HA   GLY  43          2HA       GLY  43   1.291  26.844   3.291
  376   2HA   GLY  43          1HA       GLY  43   2.035  25.775   2.114
  377    H    ALA  44           H        ALA  44  -1.146  25.144   1.786
  378    HA   ALA  44           HA       ALA  44  -1.357  26.519  -0.677
  379   1HB   ALA  44          1HB       ALA  44  -3.786  25.762  -0.529
  380   2HB   ALA  44          2HB       ALA  44  -3.331  24.988   0.990
  381   3HB   ALA  44          3HB       ALA  44  -2.549  24.503  -0.515
  382    H    SER  45           H        SER  45  -2.373  27.255   2.578
  383    HA   SER  45           HA       SER  45  -4.145  29.381   1.862
  384   1HB   SER  45          2HB       SER  45  -2.892  28.548   4.478
  385   2HB   SER  45          1HB       SER  45  -3.988  29.923   4.335
  386    H    THR  46           H        THR  46  -0.873  29.241   1.535
  387    HA   THR  46           HA       THR  46  -0.667  32.143   1.649
  388    HB   THR  46           HB       THR  46   1.228  32.210   3.044
  389    HG1  THR  46           1HG      THR  46   2.383  30.472   2.228
  390   1HG2  THR  46          1HG2      THR  46   0.644  31.040   5.096
  391   2HG2  THR  46          2HG2      THR  46  -0.528  30.064   4.210
  392   3HG2  THR  46          3HG2      THR  46  -0.769  31.804   4.367
  393    H    LYS  47           H        LYS  47   1.151  29.149   0.982
  394    HA   LYS  47           HA       LYS  47   2.455  28.524  -0.770
  395   1HB   LYS  47          2HB       LYS  47   0.462  30.289  -1.906
  396   2HB   LYS  47          1HB       LYS  47   1.978  30.401  -2.791
  397   1HG   LYS  47          2HG       LYS  47   1.701  27.706  -2.507
  398   2HG   LYS  47          1HG       LYS  47   0.024  28.229  -2.663
  399   1HD   LYS  47          2HD       LYS  47   0.392  29.165  -4.776
  400   2HD   LYS  47          1HD       LYS  47   2.142  29.197  -4.556
  401   1HE   LYS  47          2HE       LYS  47   2.321  26.863  -4.836
  402   2HE   LYS  47          1HE       LYS  47   0.584  26.629  -4.649
  403   1HZ   LYS  47          1HZ       LYS  47   1.571  28.281  -6.867
  404   2HZ   LYS  47          2HZ       LYS  47   0.166  27.345  -6.768
  405   3HZ   LYS  47          3HZ       LYS  47   1.667  26.597  -6.996
  406    HA   PRO  48           HA       PRO  48   6.187  30.840  -0.706
  407   1HB   PRO  48          2HB       PRO  48   7.095  30.678  -3.299
  408   2HB   PRO  48          1HB       PRO  48   7.251  29.387  -2.105
  409   1HG   PRO  48          2HG       PRO  48   5.235  29.720  -4.286
  410   2HG   PRO  48          1HG       PRO  48   6.058  28.250  -3.734
  411   1HD   PRO  48          2HD       PRO  48   3.520  28.805  -3.036
  412   2HD   PRO  48          1HD       PRO  48   4.638  27.980  -1.929
  413    H    VAL  49           H        VAL  49   4.682  31.557  -3.870
  414    HA   VAL  49           HA       VAL  49   4.598  34.387  -3.168
  415    HB   VAL  49           HB       VAL  49   5.892  33.478  -5.739
  416   1HG1  VAL  49          1HG1      VAL  49   6.578  35.861  -5.864
  417   2HG1  VAL  49          2HG1      VAL  49   5.583  36.183  -4.444
  418   3HG1  VAL  49          3HG1      VAL  49   4.832  35.627  -5.939
  419   1HG2  VAL  49          1HG2      VAL  49   7.404  32.870  -4.010
  420   2HG2  VAL  49          2HG2      VAL  49   7.134  34.386  -3.151
  421   3HG2  VAL  49          3HG2      VAL  49   7.993  34.387  -4.691
  422    H    GLN  50           H        GLN  50   4.076  32.111  -5.866
  423    HA   GLN  50           HA       GLN  50   2.203  31.660  -7.096
  424   1HB   GLN  50          2HB       GLN  50   0.672  33.773  -5.599
  425   2HB   GLN  50          1HB       GLN  50   0.057  32.332  -6.400
  426   1HG   GLN  50          2HG       GLN  50   1.534  31.104  -4.609
  427   2HG   GLN  50          1HG       GLN  50   1.344  32.625  -3.736
  428   1HE2  GLN  50          1HE2      GLN  50  -0.246  32.576  -2.339
  429   2HE2  GLN  50          2HE2      GLN  50  -1.739  31.723  -2.511
  430    H    THR  51           H        THR  51   1.711  32.352  -9.097
  431    HA   THR  51           HA       THR  51   2.715  34.923  -9.924
  432    HB   THR  51           HB       THR  51   1.241  32.862 -11.572
  433    HG1  THR  51           1HG      THR  51   4.038  33.150 -11.235
  434   1HG2  THR  51          1HG2      THR  51   1.356  34.644 -12.989
  435   2HG2  THR  51          2HG2      THR  51   2.913  33.879 -13.309
  436   3HG2  THR  51          3HG2      THR  51   2.823  35.284 -12.246
  437    H    SER  52           H        SER  52   1.265  36.290  -8.739
  438    HA   SER  52           HA       SER  52  -1.155  36.861 -10.242
  439   1HB   SER  52          2HB       SER  52  -1.140  35.985  -7.371
  440   2HB   SER  52          1HB       SER  52  -2.367  37.115  -7.941
  441    HG   SER  52           HG       SER  52  -1.836  34.659  -9.242