*HEADER   COMPLEX (COMPLEMENT FACTOR/PEPTIDE)     21-SEP-96   1CFA    
*TITLE    SOLUTION STRUCTURE OF A SEMI-SYNTHETIC C5A RECEPTOR         
*TITLE   2 ANTAGONIST AT PH 5.2, 303K, NMR, 20 STRUCTURES             
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: COMPLEMENT 5A SEMI-SYNTHETIC ANTAGONIST;         
*COMPND  3 CHAIN: A;                                                  
*COMPND  4 FRAGMENT: RESIDUES 1 - 71;                                 
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MUTATION: Q71C;                                            
*COMPND  7 MOL_ID: 2;                                                 
*COMPND  8 MOLECULE: SYNTHETIC N-TERMINAL TAIL;                       
*COMPND  9 CHAIN: B;                                                  
*COMPND 10 FRAGMENT: RESIDUES 72 - 75;                                
*COMPND 11 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: PB-6;                           
*SOURCE  6 MOL_ID: 2;                                                 
*SOURCE  7 SYNTHETIC: YES                                             
*KEYWDS   COMPLEMENT FACTOR, COMPLEMENT ALTERNATE PATHWAY,            
*KEYWDS  2 GLYCOPROTEIN, AGGREGATION INHIBITOR, GP ANTAGONIST,        
*KEYWDS  3 COMPLEX (COMPLEMENT FACTOR/PEPTIDE)                        
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   X.ZHANG,W.BOYAR,N.GALAKATOS,N.C.GONNELLA                    
*REVDAT  1   17-SEP-97 1CFA    0                                      

assign (resid    2   and name HA    ) (resid    3   and name HN    )   3.29  1.39  0.21
assign (resid    2   and name HB1   ) (resid    3   and name HN    )   3.58  1.68  1.42
assign (resid    3   and name HA    ) (resid    3   and name HN    )   3.76  1.86  1.24
assign (resid    3   and name HB1   ) (resid    3   and name HN    )   3.45  1.55  0.05
assign (resid    3   and name HA    ) (resid    4   and name HN    )   3.16  1.26  0.34
assign (resid    3   and name HB1   ) (resid    4   and name HN    )   4.53  2.63  0.47
assign (resid    3   and name HB2   ) (resid    4   and name HN    )   3.92  2.02  1.08
assign (resid    3   and name HG1   ) (resid    3   and name HN    )   4.18  2.28  0.82
assign (resid    3   and name HB2   ) (resid    3   and name HN    )   3.72  1.82  1.28
assign (resid    3   and name HN    ) (resid    4   and name HN    )   4.47  2.57  0.53
assign (resid    4   and name HA    ) (resid    5   and name HN    )   3.36  1.46  0.14
assign (resid    4   and name HA    ) (resid    7   and name HN    )   3.94  2.04  1.06
assign (resid    4   and name HA    ) (resid    4   and name HN    )   3.36  1.46  0.14
assign (resid    5   and name HN    ) (resid    6   and name HN    )   3.96  2.06  1.04
assign (resid    5   and name HA    ) (resid    6   and name HN    )   3.97  2.07  1.03
assign (resid    5   and name HA    ) (resid    9   and name HG11  )   4.00  2.10  1.00
assign (resid    5   and name HA    ) (resid    8   and name HG2   )   4.64  2.74  0.36
assign (resid    6   and name HD1+  ) (resid   13   and name HE1   )   3.64  1.74  3.36
assign (resid    6   and name HG2+  ) (resid   10   and name HN    )   4.12  2.22  1.88
assign (resid    6   and name HD1+  ) (resid    6   and name HN    )   4.06  2.16  1.94
assign (resid    6   and name HG2+  ) (resid    6   and name HN    )   3.87  1.97  2.13
assign (resid    6   and name HA    ) (resid    6   and name HN    )   4.00  2.10  1.00
assign (resid    6   and name HG2+  ) (resid    7   and name HN    )   3.89  1.99  2.11
assign (resid    6   and name HD1+  ) (resid   58   and name HN    )   3.84  1.94  2.16
assign (resid    6   and name HA    ) (resid    9   and name HN    )   4.00  2.10  1.00
assign (resid    6   and name HN    ) (resid    7   and name HN    )   3.56  1.66  1.44
assign (resid    6   and name HG12  ) (resid    7   and name HN    )   4.64  2.74  0.36
assign (resid    6   and name HA    ) (resid    6   and name HD1+  )   3.11  1.21  1.39
assign (resid    6   and name HG2+  ) (resid    9   and name HB    )   3.37  1.47  1.13
assign (resid    6   and name HG2+  ) (resid   26   and name HB+   )   3.26  1.36  2.24
assign (resid    6   and name HB    ) (resid    6   and name HG2+  )   3.38  1.48  1.12
assign (resid    6   and name HG2+  ) (resid   58   and name HA    )   3.38  1.48  1.12
assign (resid    6   and name HA    ) (resid    6   and name HG2+  )   3.05  1.15  1.45
assign (resid    6   and name HG12  ) (resid    6   and name HG2+  )   3.21  1.31  1.29
assign (resid    6   and name HG12  ) (resid   57   and name HG2+  )   3.21  1.31  1.29
assign (resid    6   and name HB    ) (resid    6   and name HN    )   3.42  1.52  0.08
assign (resid    6   and name HG2+  ) (resid   58   and name HB+   )   3.64  1.74  3.36
assign (resid    6   and name HD1+  ) (resid   58   and name HA    )   3.80  1.90  2.20
assign (resid    6   and name HD1+  ) (resid   54   and name HA    )   3.80  1.90  2.20
assign (resid    6   and name HD1+  ) (resid   71   and name HB1   )   4.50  2.60  1.50
assign (resid    6   and name HB    ) (resid    6   and name HD1+  )   4.38  2.48  1.62
assign (resid    6   and name HG11  ) (resid    6   and name HN    )   3.95  2.05  1.05
assign (resid    7   and name HG1   ) (resid    8   and name HN    )   3.73  1.83  1.27
assign (resid    7   and name HN    ) (resid    8   and name HN    )   3.50  1.60  1.50
assign (resid    7   and name HA    ) (resid   23   and name HE1   )   4.11  2.21  0.89
assign (resid    7   and name HA    ) (resid   10   and name HB+   )   3.33  1.43  1.17
assign (resid    7   and name HA    ) (resid    8   and name HN    )   4.07  2.17  0.93
assign (resid    7   and name HB1   ) (resid    7   and name HN    )   3.48  1.58  0.02
assign (resid    7   and name HA    ) (resid   10   and name HN    )   4.34  2.44  0.66
assign (resid    7   and name HA    ) (resid    7   and name HN    )   3.53  1.63  1.47
assign (resid    7   and name HG1   ) (resid    7   and name HN    )   4.03  2.13  0.97
assign (resid    7   and name HG2   ) (resid    7   and name HN    )   4.34  2.44  0.66
assign (resid    7   and name HB1   ) (resid    8   and name HN    )   3.61  1.71  1.39
assign (resid    8   and name HA    ) (resid    9   and name HN    )   3.39  1.49  0.11
assign (resid    8   and name HA    ) (resid   11   and name HA    )   3.12  1.22  0.38
assign (resid    8   and name HG1   ) (resid    9   and name HD1+  )   4.05  2.15  1.95
assign (resid    8   and name HG1   ) (resid    8   and name HN    )   3.61  1.71  1.39
assign (resid    8   and name HN    ) (resid    9   and name HN    )   3.78  1.88  1.22
assign (resid    8   and name HB1   ) (resid    8   and name HN    )   3.32  1.42  0.18
assign (resid    8   and name HG2   ) (resid    8   and name HN    )   4.00  2.10  1.00
assign (resid    8   and name HA    ) (resid   11   and name HN    )   3.80  1.90  1.20
assign (resid    8   and name HA    ) (resid    8   and name HN    )   3.19  1.29  0.31
assign (resid    8   and name HG2   ) (resid    8   and name HA    )   3.81  1.91  1.19
assign (resid    8   and name HA    ) (resid   23   and name HE1   )   4.47  2.57  0.53
assign (resid    9   and name HG2+  ) (resid    9   and name HN    )   3.88  1.98  2.12
assign (resid    9   and name HG11  ) (resid    9   and name HN    )   4.28  2.38  0.72
assign (resid    9   and name HG12  ) (resid    9   and name HD1+  )   3.10  1.20  1.40
assign (resid    9   and name HA    ) (resid    9   and name HD1+  )   3.20  1.30  1.30
assign (resid    9   and name HB    ) (resid   10   and name HN    )   3.41  1.51  0.09
assign (resid    9   and name HA    ) (resid   10   and name HN    )   4.32  2.42  0.68
assign (resid    9   and name HB    ) (resid    9   and name HN    )   3.48  1.58  0.02
assign (resid    9   and name HG2+  ) (resid   13   and name HE1   )   3.11  1.21  1.39
assign (resid    9   and name HG11  ) (resid    9   and name HD1+  )   3.98  2.08  2.02
assign (resid    9   and name HG2+  ) (resid    9   and name HD1+  )   3.90  2.00  3.10
assign (resid    9   and name HA    ) (resid    9   and name HN    )   3.76  1.86  1.24
assign (resid    9   and name HA    ) (resid    9   and name HG11  )   3.87  1.97  1.13
assign (resid    9   and name HD1+  ) (resid    9   and name HN    )   4.03  2.13  1.97
assign (resid    9   and name HB    ) (resid    9   and name HD1+  )   4.05  2.15  1.95
assign (resid    9   and name HG2+  ) (resid   13   and name HD1   )   3.88  1.98  2.12
assign (resid    9   and name HA    ) (resid    9   and name HG2+  )   3.12  1.22  1.38
assign (resid    9   and name HA    ) (resid    9   and name HG12  )   3.93  2.03  1.07
assign (resid    9   and name HB    ) (resid    9   and name HG2+  )   3.20  1.30  1.30
assign (resid    9   and name HG2+  ) (resid   10   and name HN    )   3.83  1.93  2.17
assign (resid    9   and name HG12  ) (resid    9   and name HN    )   3.64  1.74  1.36
assign (resid    9   and name HA    ) (resid   12   and name HE1   )   4.49  2.59  0.51
assign (resid    9   and name HN    ) (resid   10   and name HN    )   3.45  1.55  0.05
assign (resid    9   and name HG12  ) (resid    9   and name HG2+  )   3.75  1.85  2.25
assign (resid   10   and name HN    ) (resid   11   and name HN    )   3.49  1.59  0.01
assign (resid   10   and name HB+   ) (resid   10   and name HN    )   3.02  1.12  1.48
assign (resid   10   and name HA    ) (resid   13   and name HN    )   4.19  2.29  0.81
assign (resid   10   and name HB+   ) (resid   11   and name HN    )   3.52  1.62  2.48
assign (resid   10   and name HA    ) (resid   13   and name HD1   )   3.15  1.25  0.35
assign (resid   10   and name HB+   ) (resid   23   and name HD1   )   4.36  2.46  2.64
assign (resid   10   and name HB+   ) (resid   13   and name HD1   )   3.85  1.95  3.15
assign (resid   10   and name HB+   ) (resid   19   and name HA    )   4.85  2.95  1.15
assign (resid   10   and name HA    ) (resid   10   and name HN    )   3.51  1.61  1.49
assign (resid   10   and name HB+   ) (resid   23   and name HE1   )   3.35  1.45  1.15
assign (resid   10   and name HA    ) (resid   13   and name HE1   )   3.68  1.78  1.32
assign (resid   10   and name HA    ) (resid   10   and name HB+   )   3.17  1.27  1.33
assign (resid   10   and name HB+   ) (resid   23   and name HA    )   3.17  1.27  1.33
assign (resid   10   and name HA    ) (resid   22   and name HB1   )   4.66  2.76  0.34
assign (resid   10   and name HA    ) (resid   22   and name HB2   )   3.77  1.87  1.23
assign (resid   10   and name HB+   ) (resid   23   and name HD2   )   4.11  2.21  1.89
assign (resid   11   and name HA    ) (resid   19   and name HD1   )   2.88  0.98  0.62
assign (resid   11   and name HA    ) (resid   11   and name HB+   )   2.88  0.98  1.62
assign (resid   11   and name HB+   ) (resid   12   and name HN    )   3.33  1.43  1.17
assign (resid   11   and name HN    ) (resid   12   and name HN    )   3.72  1.82  1.28
assign (resid   11   and name HB+   ) (resid   23   and name HE2   )   4.54  2.64  1.46
assign (resid   11   and name HA    ) (resid   11   and name HN    )   3.28  1.38  0.22
assign (resid   11   and name HB+   ) (resid   11   and name HN    )   2.82  0.92  1.68
assign (resid   12   and name HG1   ) (resid   12   and name HN    )   4.22  2.32  0.78
assign (resid   12   and name HG1   ) (resid   13   and name HN    )   4.22  2.32  0.78
assign (resid   12   and name HE1   ) (resid   12   and name HB1   )   3.54  1.64  1.46
assign (resid   12   and name HB1   ) (resid   13   and name HN    )   3.64  1.74  1.36
assign (resid   12   and name HN    ) (resid   13   and name HD1   )   3.46  1.56  0.04
assign (resid   12   and name HB1   ) (resid   13   and name HE1   )   4.53  2.63  0.47
assign (resid   12   and name HA    ) (resid   12   and name HD1   )   3.83  1.93  1.17
assign (resid   12   and name HE1   ) (resid   12   and name HD1   )   4.32  2.42  0.68
assign (resid   12   and name HA    ) (resid   13   and name HN    )   3.28  1.38  0.22
assign (resid   12   and name HA    ) (resid   12   and name HN    )   3.28  1.38  0.22
assign (resid   12   and name HB1   ) (resid   12   and name HN    )   3.64  1.74  1.36
assign (resid   12   and name HD1   ) (resid   13   and name HN    )   3.90  2.00  1.10
assign (resid   12   and name HD1   ) (resid   12   and name HN    )   3.90  2.00  1.10
assign (resid   12   and name HA    ) (resid   12   and name HG1   )   4.11  2.21  0.89
assign (resid   12   and name HE1   ) (resid   12   and name HG1   )   3.81  1.91  1.19
assign (resid   13   and name HA    ) (resid   13   and name HN    )   3.73  1.83  1.27
assign (resid   13   and name HB1   ) (resid   13   and name HE2   )   4.02  2.12  0.98
assign (resid   13   and name HD2   ) (resid   18   and name HB    )   4.86  2.96  0.14
assign (resid   13   and name HD1   ) (resid   19   and name HA    )   4.22  2.32  0.78
assign (resid   13   and name HD2   ) (resid   18   and name HG1+  )   3.73  1.83  2.27
assign (resid   13   and name HD2   ) (resid   50   and name HB+   )   3.73  1.83  2.27
assign (resid   13   and name HE2   ) (resid   18   and name HG2+  )   3.94  2.04  2.06
assign (resid   13   and name HA    ) (resid   13   and name HE1   )   4.20  2.30  0.80
assign (resid   13   and name HN    ) (resid   13   and name HD1   )   3.46  1.56  0.04
assign (resid   13   and name HD1   ) (resid   13   and name HE1   )   2.57  0.67  0.13
assign (resid   13   and name HA    ) (resid   14   and name HN    )   3.36  1.46  0.14
assign (resid   13   and name HE2   ) (resid   51   and name HA    )   3.93  2.03  1.07
assign (resid   13   and name HN    ) (resid   19   and name HB2   )   4.13  2.23  0.87
assign (resid   13   and name HD2   ) (resid   51   and name HA    )   3.15  1.25  0.35
assign (resid   13   and name HD2   ) (resid   18   and name HG2+  )   3.40  1.50  1.10
assign (resid   13   and name HB2   ) (resid   14   and name HN    )   4.09  2.19  0.91
assign (resid   13   and name HD1   ) (resid   14   and name HN    )   4.31  2.41  0.69
assign (resid   13   and name HD2   ) (resid   54   and name HB2   )   3.35  1.45  0.15
assign (resid   13   and name HB2   ) (resid   13   and name HD2   )   3.35  1.45  0.15
assign (resid   13   and name HB2   ) (resid   13   and name HD1   )   3.35  1.45  0.15
assign (resid   13   and name HB1   ) (resid   13   and name HD2   )   3.28  1.38  0.22
assign (resid   13   and name HB1   ) (resid   13   and name HD1   )   3.28  1.38  0.22
assign (resid   13   and name HA    ) (resid   13   and name HD1   )   3.06  1.16  0.44
assign (resid   13   and name HB1   ) (resid   22   and name HB2   )   3.17  1.27  0.33
assign (resid   13   and name HE2   ) (resid   50   and name HB+   )   3.64  1.74  3.36
assign (resid   13   and name HD2   ) (resid   50   and name HA    )   3.12  1.22  0.38
assign (resid   13   and name HE2   ) (resid   13   and name HD2   )   2.56  0.66  0.14
assign (resid   13   and name HB2   ) (resid   13   and name HE1   )   4.68  2.78  0.32
assign (resid   13   and name HE2   ) (resid   54   and name HB2   )   4.68  2.78  0.32
assign (resid   13   and name HE2   ) (resid   22   and name HB2   )   5.10  3.20 -0.10
assign (resid   13   and name HE2   ) (resid   22   and name HA    )   3.64  1.74  1.36
assign (resid   13   and name HB1   ) (resid   18   and name HG1+  )   4.73  2.83  1.27
assign (resid   13   and name HB2   ) (resid   19   and name HG1   )   4.02  2.12  0.98
assign (resid   13   and name HB1   ) (resid   50   and name HB+   )   4.73  2.83  1.27
assign (resid   13   and name HD2   ) (resid   19   and name HA    )   4.01  2.11  0.99
assign (resid   13   and name HD1   ) (resid   22   and name HB2   )   4.70  2.80  0.30
assign (resid   13   and name HB1   ) (resid   19   and name HA    )   4.02  2.12  0.98
assign (resid   13   and name HB2   ) (resid   19   and name HA    )   4.25  2.35  0.75
assign (resid   13   and name HD2   ) (resid   22   and name HB2   )   4.70  2.80  0.30
assign (resid   13   and name HE2   ) (resid   50   and name HA    )   3.64  1.74  1.36
assign (resid   13   and name HE2   ) (resid   22   and name HB1   )   4.10  2.20  0.90
assign (resid   13   and name HA    ) (resid   18   and name HG2+  )   5.11  3.21 -0.11
assign (resid   13   and name HB2   ) (resid   73   and name HA    )   3.60  1.70  1.40
assign (resid   13   and name HB1   ) (resid   13   and name HN    )   3.62  1.72  1.38
assign (resid   13   and name HB1   ) (resid   13   and name HA    )   3.97  2.07  1.03
assign (resid   13   and name HB2   ) (resid   13   and name HA    )   3.60  1.70  1.40
assign (resid   13   and name HB1   ) (resid   18   and name HG2+  )   4.41  2.51  1.59
assign (resid   13   and name HB2   ) (resid   18   and name HG2+  )   4.11  2.21  1.89
assign (resid   14   and name HA    ) (resid   15   and name HD2   )   3.71  1.81  1.29
assign (resid   14   and name HA    ) (resid   74   and name HN    )   3.86  1.96  1.14
assign (resid   14   and name HN    ) (resid   15   and name HN    )   4.24  2.34  0.76
assign (resid   14   and name HB2   ) (resid   14   and name HN    )   4.21  2.31  0.79
assign (resid   14   and name HB1   ) (resid   14   and name HN    )   4.09  2.19  0.91
assign (resid   14   and name HG1   ) (resid   14   and name HN    )   4.19  2.29  0.81
assign (resid   14   and name HG1   ) (resid   15   and name HN    )   4.52  2.62  0.48
assign (resid   14   and name HG1   ) (resid   15   and name HD2   )   3.16  1.26  0.34
assign (resid   14   and name HB1   ) (resid   18   and name HG1+  )   3.10  1.20  1.40
assign (resid   14   and name HA    ) (resid   18   and name HG1+  )   3.00  1.10  1.50
assign (resid   14   and name HN    ) (resid   74   and name HN    )   4.01  2.11  0.99
assign (resid   14   and name HA    ) (resid   14   and name HN    )   3.51  1.61  1.49
assign (resid   14   and name HB2   ) (resid   74   and name HN    )   4.04  2.14  0.96
assign (resid   14   and name HB1   ) (resid   74   and name HN    )   3.64  1.74  1.36
assign (resid   14   and name HB1   ) (resid   18   and name HG2+  )   4.11  2.21  1.89
assign (resid   15   and name HB1   ) (resid   15   and name HE1   )   4.30  2.40  0.70
assign (resid   15   and name HN    ) (resid   18   and name HG1+  )   3.92  2.02  2.08
assign (resid   15   and name HB1   ) (resid   15   and name HA    )   3.46  1.56  0.04
assign (resid   15   and name HB1   ) (resid   15   and name HD2   )   3.75  1.85  1.25
assign (resid   15   and name HB2   ) (resid   15   and name HD2   )   4.00  2.10  1.00
assign (resid   15   and name HA    ) (resid   17   and name HN    )   4.61  2.71  0.39
assign (resid   15   and name HB1   ) (resid   15   and name HN    )   3.82  1.92  1.18
assign (resid   15   and name HA    ) (resid   15   and name HD2   )   4.04  2.14  0.96
assign (resid   15   and name HB2   ) (resid   15   and name HA    )   3.56  1.66  1.44
assign (resid   15   and name HD2   ) (resid   18   and name HG1+  )   3.56  1.66  2.44
assign (resid   16   and name HA    ) (resid   17   and name HN    )   3.47  1.57  0.03
assign (resid   16   and name HB2   ) (resid   16   and name HA    )   3.74  1.84  1.26
assign (resid   17   and name HB    ) (resid   18   and name HG1+  )   4.38  2.48  1.62
assign (resid   17   and name HN    ) (resid   18   and name HN    )   3.92  2.02  1.08
assign (resid   17   and name HN    ) (resid   74   and name HA*   )   4.17  2.27  1.83
assign (resid   17   and name HB    ) (resid   17   and name HG1+  )   3.18  1.28  1.32
assign (resid   17   and name HA    ) (resid   17   and name HG1+  )   3.04  1.14  1.46
assign (resid   17   and name HB    ) (resid   17   and name HN    )   3.59  1.69  1.41
assign (resid   17   and name HA    ) (resid   20   and name HN    )   4.26  2.36  0.74
assign (resid   17   and name HA    ) (resid   17   and name HG2+  )   3.29  1.39  1.21
assign (resid   17   and name HB    ) (resid   17   and name HG2+  )   3.17  1.27  1.33
assign (resid   17   and name HG1+  ) (resid   18   and name HN    )   4.10  2.20  1.90
assign (resid   17   and name HG2+  ) (resid   17   and name HN    )   4.00  2.10  2.00
assign (resid   17   and name HG2+  ) (resid   18   and name HN    )   4.15  2.25  1.85
assign (resid   17   and name HB    ) (resid   18   and name HN    )   3.87  1.97  1.13
assign (resid   17   and name HG1+  ) (resid   17   and name HN    )   3.36  1.46  1.14
assign (resid   17   and name HA    ) (resid   17   and name HN    )   3.73  1.83  1.27
assign (resid   18   and name HG1+  ) (resid   18   and name HN    )   3.25  1.35  1.25
assign (resid   18   and name HB    ) (resid   50   and name HB+   )   3.46  1.56  1.04
assign (resid   18   and name HB    ) (resid   19   and name HN    )   3.99  2.09  1.01
assign (resid   18   and name HB    ) (resid   18   and name HG1+  )   3.46  1.56  1.04
assign (resid   18   and name HG2+  ) (resid   50   and name HN    )   4.53  2.63  1.47
assign (resid   18   and name HA    ) (resid   21   and name HB1   )   4.26  2.36  0.74
assign (resid   18   and name HG1+  ) (resid   19   and name HN    )   3.53  1.63  2.47
assign (resid   18   and name HG2+  ) (resid   73   and name HA    )   5.04  3.14 -0.04
assign (resid   18   and name HG2+  ) (resid   50   and name HA    )   4.18  2.28  1.82
assign (resid   18   and name HA    ) (resid   18   and name HG1+  )   3.72  1.82  2.28
assign (resid   18   and name HA    ) (resid   21   and name HN    )   4.05  2.15  0.95
assign (resid   18   and name HG1+  ) (resid   73   and name HB2   )   3.85  1.95  2.15
assign (resid   18   and name HG2+  ) (resid   18   and name HN    )   4.48  2.58  1.52
assign (resid   18   and name HA    ) (resid   50   and name HB+   )   3.72  1.82  2.28
assign (resid   18   and name HG2+  ) (resid   19   and name HA    )   4.86  2.96  1.14
assign (resid   18   and name HG1+  ) (resid   19   and name HB1   )   2.87  0.97  1.63
assign (resid   18   and name HB    ) (resid   18   and name HG2+  )   3.41  1.51  1.09
assign (resid   18   and name HG2+  ) (resid   50   and name HB+   )   2.74  0.84  2.76
assign (resid   18   and name HB    ) (resid   18   and name HN    )   3.74  1.84  1.26
assign (resid   18   and name HA    ) (resid   18   and name HG2+  )   3.59  1.69  2.41
assign (resid   18   and name HN    ) (resid   19   and name HN    )   3.63  1.73  1.37
assign (resid   18   and name HA    ) (resid   18   and name HN    )   4.07  2.17  0.93
assign (resid   18   and name HG2+  ) (resid   19   and name HN    )   4.42  2.52  1.58
assign (resid   18   and name HG1+  ) (resid   18   and name HG2+  )   2.74  0.84  2.76
assign (resid   19   and name HD1   ) (resid   23   and name HE2   )   4.54  2.64  0.46
assign (resid   19   and name HG1   ) (resid   19   and name HN    )   4.42  2.52  0.58
assign (resid   19   and name HE1   ) (resid   23   and name HE2   )   4.39  2.49  0.61
assign (resid   19   and name HB2   ) (resid   20   and name HN    )   4.18  2.28  0.82
assign (resid   19   and name HB1   ) (resid   19   and name HN    )   3.96  2.06  1.04
assign (resid   19   and name HA    ) (resid   19   and name HB1   )   4.66  2.76  0.34
assign (resid   19   and name HG1   ) (resid   23   and name HD2   )   4.01  2.11  0.99
assign (resid   19   and name HA    ) (resid   19   and name HB2   )   3.95  2.05  1.05
assign (resid   19   and name HB2   ) (resid   19   and name HN    )   3.19  1.29  0.31
assign (resid   19   and name HA    ) (resid   19   and name HN    )   3.72  1.82  1.28
assign (resid   19   and name HE1   ) (resid   23   and name HD2   )   3.69  1.79  1.31
assign (resid   19   and name HG1   ) (resid   23   and name HE2   )   4.70  2.80  0.30
assign (resid   19   and name HN    ) (resid   20   and name HN    )   3.94  2.04  1.06
assign (resid   19   and name HA    ) (resid   22   and name HB2   )   4.15  2.25  0.85
assign (resid   19   and name HA    ) (resid   22   and name HB1   )   4.02  2.12  0.98
assign (resid   19   and name HA    ) (resid   22   and name HN    )   4.51  2.61  0.49
assign (resid   19   and name HB1   ) (resid   20   and name HN    )   4.28  2.38  0.72
assign (resid   19   and name HE1   ) (resid   20   and name HA    )   3.75  1.85  1.25
assign (resid   20   and name HN    ) (resid   21   and name HN    )   3.88  1.98  1.12
assign (resid   20   and name HA    ) (resid   24   and name HN    )   4.44  2.54  0.56
assign (resid   20   and name HA    ) (resid   23   and name HD2   )   3.45  1.55  0.05
assign (resid   20   and name HA    ) (resid   21   and name HN    )   4.06  2.16  0.94
assign (resid   20   and name HA    ) (resid   23   and name HB2   )   3.77  1.87  1.23
assign (resid   20   and name HA    ) (resid   23   and name HB1   )   3.75  1.85  1.25
assign (resid   20   and name HA    ) (resid   23   and name HE2   )   4.47  2.57  0.53
assign (resid   20   and name HA    ) (resid   23   and name HN    )   3.19  1.29  0.31
assign (resid   20   and name HA    ) (resid   20   and name HN    )   3.39  1.49  0.11
assign (resid   21   and name HB1   ) (resid   47   and name HB1   )   3.60  1.70  1.40
assign (resid   21   and name HA    ) (resid   51   and name HD2   )   4.11  2.21  0.89
assign (resid   21   and name HB2   ) (resid   50   and name HB+   )   3.40  1.50  1.10
assign (resid   21   and name HB1   ) (resid   51   and name HD2   )   4.33  2.43  0.67
assign (resid   21   and name HB1   ) (resid   22   and name HN    )   3.23  1.33  0.27
assign (resid   21   and name HA    ) (resid   24   and name HN    )   4.47  2.57  0.53
assign (resid   21   and name HB1   ) (resid   51   and name HN    )   4.66  2.76  0.34
assign (resid   21   and name HA    ) (resid   21   and name HN    )   3.58  1.68  1.42
assign (resid   21   and name HA    ) (resid   51   and name HB2   )   3.73  1.83  1.27
assign (resid   21   and name HA    ) (resid   47   and name HB1   )   4.24  2.34  0.76
assign (resid   21   and name HB2   ) (resid   21   and name HN    )   4.06  2.16  0.94
assign (resid   21   and name HB2   ) (resid   22   and name HN    )   3.23  1.33  0.27
assign (resid   21   and name HB1   ) (resid   47   and name HB2   )   3.50  1.60  0.00
assign (resid   21   and name HB1   ) (resid   24   and name HB2   )   3.50  1.60  0.00
assign (resid   21   and name HA    ) (resid   24   and name HB2   )   3.17  1.27  0.33
assign (resid   21   and name HA    ) (resid   47   and name HB2   )   3.17  1.27  0.33
assign (resid   21   and name HA    ) (resid   22   and name HN    )   4.49  2.59  0.51
assign (resid   21   and name HN    ) (resid   22   and name HN    )   3.80  1.90  1.20
assign (resid   21   and name HB1   ) (resid   50   and name HB+   )   3.40  1.50  1.10
assign (resid   22   and name HB1   ) (resid   23   and name HN    )   4.35  2.45  0.65
assign (resid   22   and name HB2   ) (resid   22   and name HN    )   3.58  1.68  1.42
assign (resid   22   and name HN    ) (resid   50   and name HB+   )   3.83  1.93  2.17
assign (resid   22   and name HA    ) (resid   23   and name HN    )   3.08  1.18  0.42
assign (resid   22   and name HA    ) (resid   50   and name HB+   )   3.00  1.10  1.50
assign (resid   22   and name HB2   ) (resid   51   and name HB2   )   3.44  1.54  0.06
assign (resid   22   and name HB1   ) (resid   51   and name HA    )   4.66  2.76  0.34
assign (resid   22   and name HB2   ) (resid   51   and name HA    )   3.77  1.87  1.23
assign (resid   22   and name HB1   ) (resid   23   and name HA    )   4.66  2.76  0.34
assign (resid   22   and name HA    ) (resid   54   and name HB2   )   3.60  1.70  1.40
assign (resid   22   and name HB2   ) (resid   22   and name HA    )   3.90  2.00  1.10
assign (resid   22   and name HB1   ) (resid   22   and name HA    )   3.91  2.01  1.09
assign (resid   22   and name HA    ) (resid   51   and name HB2   )   3.60  1.70  1.40
assign (resid   22   and name HN    ) (resid   23   and name HN    )   3.89  1.99  1.11
assign (resid   22   and name HB1   ) (resid   22   and name HN    )   3.66  1.76  1.34
assign (resid   22   and name HA    ) (resid   22   and name HN    )   3.73  1.83  1.27
assign (resid   22   and name HA    ) (resid   51   and name HN    )   4.68  2.78  0.32
assign (resid   22   and name HB2   ) (resid   23   and name HN    )   4.09  2.19  0.91
assign (resid   23   and name HA    ) (resid   23   and name HD1   )   3.23  1.33  0.27
assign (resid   23   and name HB2   ) (resid   23   and name HN    )   4.20  2.30  0.80
assign (resid   23   and name HN    ) (resid   23   and name HD2   )   4.40  2.50  0.60
assign (resid   23   and name HA    ) (resid   27   and name HN    )   4.45  2.55  0.55
assign (resid   23   and name HB2   ) (resid   23   and name HD2   )   3.79  1.89  1.21
assign (resid   23   and name HB1   ) (resid   23   and name HD1   )   3.69  1.79  1.31
assign (resid   23   and name HB1   ) (resid   23   and name HD2   )   3.69  1.79  1.31
assign (resid   23   and name HA    ) (resid   23   and name HD2   )   3.21  1.31  0.29
assign (resid   23   and name HD1   ) (resid   23   and name HE1   )   2.52  0.62  0.18
assign (resid   23   and name HN    ) (resid   24   and name HN    )   3.78  1.88  1.22
assign (resid   23   and name HA    ) (resid   24   and name HN    )   4.55  2.65  0.45
assign (resid   23   and name HA    ) (resid   23   and name HE1   )   4.34  2.44  0.66
assign (resid   23   and name HA    ) (resid   26   and name HN    )   4.40  2.50  0.60
assign (resid   23   and name HB1   ) (resid   24   and name HN    )   4.07  2.17  0.93
assign (resid   23   and name HB2   ) (resid   24   and name HN    )   4.28  2.38  0.72
assign (resid   23   and name HE1   ) (resid   23   and name HD1   )   2.52  0.62  0.18
assign (resid   23   and name HB2   ) (resid   23   and name HA    )   3.77  1.87  1.23
assign (resid   23   and name HB1   ) (resid   23   and name HA    )   3.56  1.66  1.44
assign (resid   23   and name HB1   ) (resid   23   and name HE1   )   4.39  2.49  0.61
assign (resid   24   and name HB1   ) (resid   24   and name HN    )   3.82  1.92  1.18
assign (resid   24   and name HA    ) (resid   51   and name HE2   )   4.33  2.43  0.67
assign (resid   24   and name HA    ) (resid   27   and name HB2   )   2.62  0.72  0.08
assign (resid   24   and name HB2   ) (resid   51   and name HD2   )   3.74  1.84  1.26
assign (resid   24   and name HB2   ) (resid   51   and name HE2   )   3.74  1.84  1.26
assign (resid   24   and name HA    ) (resid   25   and name HN    )   4.20  2.30  0.80
assign (resid   24   and name HB1   ) (resid   51   and name HE2   )   3.68  1.78  1.32
assign (resid   24   and name HB2   ) (resid   24   and name HN    )   3.71  1.81  1.29
assign (resid   24   and name HA    ) (resid   24   and name HN    )   3.52  1.62  1.48
assign (resid   24   and name HA    ) (resid   51   and name HD2   )   4.33  2.43  0.67
assign (resid   24   and name HB2   ) (resid   47   and name HB1   )   2.74  0.84  0.76
assign (resid   24   and name HB1   ) (resid   25   and name HN    )   4.19  2.29  0.81
assign (resid   24   and name HA    ) (resid   27   and name HN    )   3.23  1.33  0.27
assign (resid   24   and name HN    ) (resid   25   and name HN    )   3.74  1.84  1.26
assign (resid   24   and name HB2   ) (resid   24   and name HA    )   3.50  1.60  0.00
assign (resid   24   and name HB1   ) (resid   24   and name HA    )   3.60  1.70  1.40
assign (resid   25   and name HN    ) (resid   51   and name HA    )   4.06  2.16  0.94
assign (resid   25   and name HN    ) (resid   26   and name HN    )   3.91  2.01  1.09
assign (resid   25   and name HA1   ) (resid   26   and name HN    )   4.42  2.52  0.58
assign (resid   25   and name HA2   ) (resid   26   and name HN    )   3.88  1.98  1.12
assign (resid   25   and name HN    ) (resid   51   and name HD2   )   4.07  2.17  0.93
assign (resid   25   and name HA2   ) (resid   25   and name HN    )   3.73  1.83  1.27
assign (resid   25   and name HA2   ) (resid   51   and name HZ    )   4.59  2.69  0.41
assign (resid   25   and name HA2   ) (resid   51   and name HE2   )   4.10  2.20  0.90
assign (resid   25   and name HA1   ) (resid   51   and name HD2   )   4.23  2.33  0.77
assign (resid   25   and name HA2   ) (resid   51   and name HE1   )   4.18  2.28  0.82
assign (resid   25   and name HA1   ) (resid   25   and name HN    )   3.57  1.67  1.43
assign (resid   26   and name HA    ) (resid   55   and name HB2   )   3.81  1.91  1.19
assign (resid   26   and name HB+   ) (resid   26   and name HN    )   3.01  1.11  1.49
assign (resid   26   and name HN    ) (resid   55   and name HA    )   3.11  1.21  0.39
assign (resid   26   and name HN    ) (resid   27   and name HN    )   3.67  1.77  1.33
assign (resid   26   and name HA    ) (resid   26   and name HN    )   3.11  1.21  0.39
assign (resid   26   and name HA    ) (resid   27   and name HN    )   3.03  1.13  0.47
assign (resid   26   and name HN    ) (resid   58   and name HB+   )   4.48  2.58  1.52
assign (resid   26   and name HB+   ) (resid   27   and name HN    )   3.89  1.99  2.11
assign (resid   27   and name HB2   ) (resid   27   and name HA    )   2.62  0.72  0.08
assign (resid   27   and name HB1   ) (resid   27   and name HA    )   2.62  0.72  0.08
assign (resid   27   and name HA    ) (resid   27   and name HN    )   3.23  1.33  0.27
assign (resid   27   and name HB1   ) (resid   28   and name HG2+  )   4.08  2.18  1.92
assign (resid   27   and name HB1   ) (resid   27   and name HN    )   3.03  1.13  0.47
assign (resid   27   and name HB2   ) (resid   27   and name HN    )   3.03  1.13  0.47
assign (resid   27   and name HN    ) (resid   28   and name HN    )   4.28  2.38  0.72
assign (resid   27   and name HB2   ) (resid   28   and name HN    )   3.46  1.56  0.04
assign (resid   27   and name HB1   ) (resid   28   and name HN    )   3.46  1.56  0.04
assign (resid   27   and name HA    ) (resid   28   and name HN    )   2.96  1.06  0.54
assign (resid   28   and name HG2+  ) (resid   29   and name HN    )   3.93  2.03  2.07
assign (resid   28   and name HB    ) (resid   29   and name HN    )   3.51  1.61  1.49
assign (resid   28   and name HB    ) (resid   28   and name HN    )   3.49  1.59  0.01
assign (resid   28   and name HG2+  ) (resid   28   and name HN    )   3.24  1.34  1.26
assign (resid   28   and name HB    ) (resid   28   and name HG1+  )   3.37  1.47  1.13
assign (resid   28   and name HA    ) (resid   28   and name HG1+  )   3.05  1.15  1.45
assign (resid   28   and name HA    ) (resid   29   and name HN    )   2.80  0.90  0.70
assign (resid   28   and name HG1+  ) (resid   28   and name HN    )   3.75  1.85  2.25
assign (resid   28   and name HA    ) (resid   28   and name HN    )   3.71  1.81  1.29
assign (resid   28   and name HG1+  ) (resid   29   and name HN    )   3.70  1.80  2.30
assign (resid   28   and name HB    ) (resid   28   and name HG2+  )   3.32  1.42  1.18
assign (resid   28   and name HG2+  ) (resid   32   and name HG2   )   3.17  1.27  1.33
assign (resid   28   and name HA    ) (resid   28   and name HG2+  )   3.29  1.39  1.21
assign (resid   29   and name HA    ) (resid   30   and name HN    )   3.10  1.20  0.40
assign (resid   29   and name HB1   ) (resid   29   and name HN    )   4.12  2.22  0.88
assign (resid   29   and name HB2   ) (resid   32   and name HA    )   3.20  1.30  0.30
assign (resid   29   and name HB1   ) (resid   32   and name HA    )   3.36  1.46  0.14
assign (resid   29   and name HB2   ) (resid   29   and name HN    )   4.55  2.65  0.45
assign (resid   29   and name HB1   ) (resid   32   and name HN    )   4.21  2.31  0.79
assign (resid   29   and name HB1   ) (resid   29   and name HA    )   3.36  1.46  0.14
assign (resid   29   and name HB2   ) (resid   29   and name HA    )   3.20  1.30  0.30
assign (resid   29   and name HB1   ) (resid   30   and name HN    )   3.74  1.84  1.26
assign (resid   29   and name HA    ) (resid   29   and name HN    )   3.82  1.92  1.18
assign (resid   29   and name HN    ) (resid   30   and name HN    )   4.38  2.48  0.62
assign (resid   30   and name HB2   ) (resid   30   and name HN    )   4.08  2.18  0.92
assign (resid   30   and name HB2   ) (resid   31   and name HN    )   4.19  2.29  0.81
assign (resid   30   and name HN    ) (resid   31   and name HN    )   3.86  1.96  1.14
assign (resid   30   and name HA    ) (resid   31   and name HN    )   3.49  1.59  0.01
assign (resid   30   and name HA    ) (resid   30   and name HN    )   3.66  1.76  1.34
assign (resid   30   and name HB1   ) (resid   30   and name HN    )   3.74  1.84  1.26
assign (resid   30   and name HB1   ) (resid   30   and name HA    )   3.45  1.55  0.05
assign (resid   30   and name HB2   ) (resid   30   and name HA    )   3.39  1.49  0.11
assign (resid   31   and name HA    ) (resid   34   and name HN    )   3.26  1.36  0.24
assign (resid   31   and name HB2   ) (resid   31   and name HA    )   3.36  1.46  0.14
assign (resid   31   and name HB2   ) (resid   31   and name HN    )   3.55  1.65  1.45
assign (resid   31   and name HN    ) (resid   32   and name HN    )   3.32  1.42  0.18
assign (resid   31   and name HA    ) (resid   32   and name HN    )   3.60  1.70  1.40
assign (resid   31   and name HA    ) (resid   31   and name HN    )   3.13  1.23  0.37
assign (resid   31   and name HB2   ) (resid   32   and name HN    )   4.21  2.31  0.79
assign (resid   32   and name HA    ) (resid   33   and name HN    )   3.83  1.93  1.17
assign (resid   32   and name HB1   ) (resid   32   and name HN    )   3.86  1.96  1.14
assign (resid   32   and name HA    ) (resid   32   and name HN    )   3.60  1.70  1.40
assign (resid   32   and name HG2   ) (resid   32   and name HN    )   4.25  2.35  0.75
assign (resid   33   and name HN    ) (resid   34   and name HB1   )   3.86  1.96  1.14
assign (resid   33   and name HB    ) (resid   37   and name HN    )   4.48  2.58  0.52
assign (resid   33   and name HB    ) (resid   33   and name HG2+  )   2.89  0.99  1.61
assign (resid   33   and name HB    ) (resid   33   and name HN    )   3.08  1.18  0.42
assign (resid   33   and name HB    ) (resid   34   and name HN    )   4.22  2.32  0.78
assign (resid   33   and name HA    ) (resid   33   and name HN    )   2.79  0.89  0.71
assign (resid   33   and name HG2+  ) (resid   34   and name HN    )   3.11  1.21  1.39
assign (resid   33   and name HA    ) (resid   35   and name HB1   )   4.17  2.27  0.83
assign (resid   33   and name HA    ) (resid   36   and name HB1   )   4.17  2.27  0.83
assign (resid   33   and name HA    ) (resid   36   and name HG1   )   4.63  2.73  0.37
assign (resid   33   and name HA    ) (resid   34   and name HN    )   3.63  1.73  1.37
assign (resid   33   and name HG2+  ) (resid   33   and name HN    )   3.66  1.76  2.34
assign (resid   33   and name HA    ) (resid   36   and name HN    )   2.79  0.89  0.71
assign (resid   33   and name HA    ) (resid   33   and name HB    )   2.78  0.88  0.72
assign (resid   33   and name HA    ) (resid   33   and name HG2+  )   2.88  0.98  1.62
assign (resid   34   and name HA    ) (resid   34   and name HN    )   3.63  1.73  1.37
assign (resid   34   and name HA    ) (resid   51   and name HE2   )   4.12  2.22  0.88
assign (resid   34   and name HA    ) (resid   37   and name HB1   )   4.63  2.73  0.37
assign (resid   34   and name HA    ) (resid   35   and name HN    )   3.98  2.08  1.02
assign (resid   34   and name HN    ) (resid   37   and name HN    )   4.33  2.43  0.67
assign (resid   34   and name HA    ) (resid   55   and name HB1   )   3.17  1.27  0.33
assign (resid   34   and name HB2   ) (resid   34   and name HA    )   3.17  1.27  0.33
assign (resid   34   and name HA    ) (resid   51   and name HE1   )   4.08  2.18  0.92
assign (resid   34   and name HA    ) (resid   51   and name HZ    )   4.65  2.75  0.35
assign (resid   34   and name HB1   ) (resid   34   and name HA    )   3.73  1.83  1.27
assign (resid   35   and name HA    ) (resid   35   and name HN    )   3.75  1.85  1.25
assign (resid   35   and name HN    ) (resid   38   and name HN    )   3.58  1.68  1.42
assign (resid   35   and name HA    ) (resid   39   and name HN    )   4.33  2.43  0.67
assign (resid   35   and name HN    ) (resid   51   and name HE2   )   4.43  2.53  0.57
assign (resid   35   and name HN    ) (resid   37   and name HN    )   3.67  1.77  1.33
assign (resid   35   and name HB1   ) (resid   35   and name HN    )   3.33  1.43  0.17
assign (resid   35   and name HN    ) (resid   51   and name HZ    )   4.35  2.45  0.65
assign (resid   36   and name HG2   ) (resid   36   and name HN    )   4.71  2.81  0.29
assign (resid   36   and name HB1   ) (resid   36   and name HN    )   3.69  1.79  1.31
assign (resid   36   and name HG1   ) (resid   36   and name HN    )   4.42  2.52  0.58
assign (resid   36   and name HA    ) (resid   36   and name HN    )   3.42  1.52  0.08
assign (resid   36   and name HB2   ) (resid   36   and name HN    )   3.82  1.92  1.18
assign (resid   36   and name HB2   ) (resid   37   and name HN    )   3.68  1.78  1.32
assign (resid   36   and name HA    ) (resid   38   and name HN    )   4.00  2.10  1.00
assign (resid   36   and name HN    ) (resid   37   and name HN    )   3.63  1.73  1.37
assign (resid   37   and name HB1   ) (resid   37   and name HN    )   3.77  1.87  1.23
assign (resid   37   and name HB2   ) (resid   37   and name HN    )   3.57  1.67  1.43
assign (resid   37   and name HG1   ) (resid   51   and name HE2   )   3.84  1.94  1.16
assign (resid   37   and name HG1   ) (resid   51   and name HZ    )   3.69  1.79  1.31
assign (resid   37   and name HB1   ) (resid   51   and name HE1   )   3.99  2.09  1.01
assign (resid   37   and name HB1   ) (resid   51   and name HE2   )   3.99  2.09  1.01
assign (resid   37   and name HA    ) (resid   41   and name HG12  )   4.11  2.21  0.89
assign (resid   37   and name HA    ) (resid   39   and name HN    )   4.18  2.28  0.82
assign (resid   37   and name HA    ) (resid   37   and name HN    )   3.11  1.21  0.39
assign (resid   37   and name HG1   ) (resid   37   and name HN    )   3.89  1.99  1.11
assign (resid   37   and name HB1   ) (resid   48   and name HN    )   3.73  1.83  1.27
assign (resid   37   and name HB1   ) (resid   51   and name HZ    )   3.78  1.88  1.22
assign (resid   38   and name HA    ) (resid   51   and name HZ    )   4.95  3.05  0.05
assign (resid   38   and name HN    ) (resid   39   and name HN    )   3.53  1.63  1.47
assign (resid   38   and name HN    ) (resid   51   and name HZ    )   3.53  1.63  1.47
assign (resid   38   and name HB+   ) (resid   51   and name HD1   )   3.16  1.26  2.34
assign (resid   38   and name HA    ) (resid   41   and name HG11  )   4.40  2.50  0.60
assign (resid   38   and name HB+   ) (resid   51   and name HE1   )   3.22  1.32  1.28
assign (resid   38   and name HA    ) (resid   41   and name HD1+  )   3.35  1.45  1.15
assign (resid   38   and name HB+   ) (resid   51   and name HZ    )   4.55  2.65  1.45
assign (resid   38   and name HA    ) (resid   41   and name HG12  )   3.99  2.09  1.01
assign (resid   38   and name HB+   ) (resid   41   and name HD1+  )   3.75  1.85  3.25
assign (resid   38   and name HB+   ) (resid   38   and name HN    )   2.95  1.05  1.55
assign (resid   38   and name HN    ) (resid   41   and name HG11  )   4.63  2.73  0.37
assign (resid   38   and name HA    ) (resid   38   and name HB+   )   3.25  1.35  1.25
assign (resid   38   and name HN    ) (resid   48   and name HG2+  )   4.63  2.73  1.37
assign (resid   38   and name HA    ) (resid   39   and name HN    )   4.01  2.11  0.99
assign (resid   38   and name HA    ) (resid   38   and name HN    )   3.54  1.64  1.46
assign (resid   38   and name HA    ) (resid   51   and name HE1   )   3.80  1.90  1.20
assign (resid   38   and name HN    ) (resid   51   and name HE1   )   4.12  2.22  0.88
assign (resid   39   and name HA    ) (resid   40   and name HN    )   4.47  2.57  0.53
assign (resid   39   and name HA    ) (resid   39   and name HB+   )   2.89  0.99  1.61
assign (resid   39   and name HB+   ) (resid   40   and name HN    )   3.83  1.93  2.17
assign (resid   39   and name HA    ) (resid   39   and name HN    )   3.36  1.46  0.14
assign (resid   39   and name HB+   ) (resid   39   and name HN    )   2.87  0.97  1.63
assign (resid   39   and name HN    ) (resid   40   and name HN    )   3.60  1.70  1.40
assign (resid   40   and name HB1   ) (resid   40   and name HN    )   4.09  2.19  0.91
assign (resid   40   and name HB2   ) (resid   40   and name HN    )   3.48  1.58  0.02
assign (resid   40   and name HA    ) (resid   41   and name HN    )   4.35  2.45  0.65
assign (resid   40   and name HA    ) (resid   40   and name HN    )   3.69  1.79  1.31
assign (resid   40   and name HA    ) (resid   40   and name HG1   )   3.56  1.66  1.44
assign (resid   40   and name HG1   ) (resid   40   and name HN    )   4.10  2.20  0.90
assign (resid   40   and name HN    ) (resid   41   and name HN    )   3.53  1.63  1.47
assign (resid   41   and name HA    ) (resid   42   and name HN    )   3.31  1.41  0.19
assign (resid   41   and name HD1+  ) (resid   41   and name HN    )   3.51  1.61  2.49
assign (resid   41   and name HD1+  ) (resid   51   and name HE1   )   3.64  1.74  2.36
assign (resid   41   and name HG2+  ) (resid   44   and name HN    )   3.88  1.98  2.12
assign (resid   41   and name HG12  ) (resid   45   and name HD2   )   3.12  1.22  0.38
assign (resid   41   and name HD1+  ) (resid   48   and name HD1+  )   4.29  2.39  2.71
assign (resid   41   and name HG2+  ) (resid   41   and name HN    )   3.73  1.83  2.27
assign (resid   41   and name HB    ) (resid   41   and name HG11  )   3.32  1.42  0.18
assign (resid   41   and name HG12  ) (resid   41   and name HD1+  )   3.61  1.71  2.39
assign (resid   41   and name HD1+  ) (resid   48   and name HG12  )   4.87  2.97  1.13
assign (resid   41   and name HB    ) (resid   41   and name HD1+  )   3.73  1.83  2.27
assign (resid   41   and name HG11  ) (resid   41   and name HN    )   3.56  1.66  1.44
assign (resid   41   and name HA    ) (resid   41   and name HG11  )   3.11  1.21  0.39
assign (resid   41   and name HG11  ) (resid   48   and name HB    )   3.10  1.20  0.40
assign (resid   41   and name HB    ) (resid   41   and name HN    )   3.46  1.56  0.04
assign (resid   41   and name HA    ) (resid   41   and name HG12  )   3.75  1.85  1.25
assign (resid   41   and name HA    ) (resid   44   and name HN    )   3.62  1.72  1.38
assign (resid   41   and name HG12  ) (resid   41   and name HN    )   3.75  1.85  1.25
assign (resid   41   and name HA    ) (resid   48   and name HG2+  )   3.11  1.21  1.39
assign (resid   41   and name HB    ) (resid   41   and name HG12  )   3.95  2.05  1.05
assign (resid   41   and name HA    ) (resid   41   and name HN    )   3.97  2.07  1.03
assign (resid   41   and name HG2+  ) (resid   43   and name HN    )   3.22  1.32  1.28
assign (resid   41   and name HG2+  ) (resid   44   and name HA1   )   3.11  1.21  1.39
assign (resid   41   and name HG11  ) (resid   41   and name HD1+  )   2.96  1.06  1.54
assign (resid   41   and name HG2+  ) (resid   41   and name HD1+  )   2.96  1.06  2.54
assign (resid   41   and name HA    ) (resid   41   and name HG2+  )   3.11  1.21  1.39
assign (resid   41   and name HB    ) (resid   41   and name HG2+  )   3.32  1.42  1.18
assign (resid   41   and name HG2+  ) (resid   42   and name HN    )   3.89  1.99  2.11
assign (resid   41   and name HA    ) (resid   43   and name HN    )   4.59  2.69  0.41
assign (resid   41   and name HD1+  ) (resid   48   and name HG2+  )   3.39  1.49  2.11
assign (resid   41   and name HD1+  ) (resid   48   and name HA    )   3.79  1.89  2.21
assign (resid   41   and name HB    ) (resid   48   and name HD1+  )   4.06  2.16  1.94
assign (resid   41   and name HA    ) (resid   41   and name HD1+  )   3.78  1.88  2.22
assign (resid   42   and name HB2   ) (resid   42   and name HN    )   4.40  2.50  0.60
assign (resid   42   and name HA    ) (resid   43   and name HN    )   3.87  1.97  1.13
assign (resid   42   and name HB2   ) (resid   42   and name HA    )   3.07  1.17  0.43
assign (resid   42   and name HA    ) (resid   42   and name HN    )   3.80  1.90  1.20
assign (resid   42   and name HB1   ) (resid   42   and name HN    )   4.52  2.62  0.48
assign (resid   42   and name HB1   ) (resid   42   and name HA    )   3.12  1.22  0.38
assign (resid   42   and name HN    ) (resid   43   and name HN    )   4.17  2.27  0.83
assign (resid   43   and name HA    ) (resid   44   and name HN    )   3.77  1.87  1.23
assign (resid   43   and name HN    ) (resid   44   and name HN    )   4.13  2.23  0.87
assign (resid   43   and name HB1   ) (resid   44   and name HN    )   4.46  2.56  0.54
assign (resid   43   and name HA    ) (resid   43   and name HN    )   3.76  1.86  1.24
assign (resid   43   and name HB1   ) (resid   43   and name HN    )   3.98  2.08  1.02
assign (resid   43   and name HG    ) (resid   43   and name HD2+  )   3.64  1.74  2.36
assign (resid   43   and name HD1+  ) (resid   45   and name HG1   )   3.46  1.56  1.04
assign (resid   43   and name HD1+  ) (resid   45   and name HB1   )   3.46  1.56  1.04
assign (resid   43   and name HG    ) (resid   43   and name HN    )   3.57  1.67  1.43
assign (resid   43   and name HG    ) (resid   43   and name HD1+  )   2.87  0.97  1.63
assign (resid   43   and name HA    ) (resid   43   and name HD1+  )   3.09  1.19  1.41
assign (resid   43   and name HD1+  ) (resid   43   and name HN    )   4.13  2.23  1.87
assign (resid   43   and name HD1+  ) (resid   45   and name HD1   )   3.72  1.82  2.28
assign (resid   43   and name HD2+  ) (resid   43   and name HN    )   3.79  1.89  2.21
assign (resid   43   and name HB1   ) (resid   43   and name HD1+  )   4.81  2.91  1.19
assign (resid   44   and name HA2   ) (resid   44   and name HN    )   3.67  1.77  1.33
assign (resid   44   and name HA1   ) (resid   48   and name HG11  )   3.29  1.39  0.21
assign (resid   44   and name HA2   ) (resid   45   and name HD1   )   3.76  1.86  1.24
assign (resid   44   and name HA2   ) (resid   45   and name HD2   )   3.75  1.85  1.25
assign (resid   44   and name HA1   ) (resid   44   and name HN    )   3.60  1.70  1.40
assign (resid   44   and name HA1   ) (resid   45   and name HD1   )   4.01  2.11  0.99
assign (resid   45   and name HD2   ) (resid   48   and name HG11  )   4.48  2.58  0.52
assign (resid   45   and name HD1   ) (resid   45   and name HB1   )   3.72  1.82  1.28
assign (resid   45   and name HD1   ) (resid   45   and name HG1   )   3.72  1.82  1.28
assign (resid   45   and name HD1   ) (resid   45   and name HA    )   4.32  2.42  0.68
assign (resid   45   and name HB1   ) (resid   46   and name HN    )   4.03  2.13  0.97
assign (resid   45   and name HD2   ) (resid   45   and name HA    )   3.81  1.91  1.19
assign (resid   46   and name HB1   ) (resid   46   and name HN    )   3.64  1.74  1.36
assign (resid   46   and name HA    ) (resid   46   and name HN    )   3.86  1.96  1.14
assign (resid   46   and name HN    ) (resid   47   and name HN    )   3.80  1.90  1.20
assign (resid   46   and name HA    ) (resid   47   and name HN    )   4.20  2.30  0.80
assign (resid   46   and name HA    ) (resid   49   and name HN    )   3.96  2.06  1.04
assign (resid   46   and name HB1   ) (resid   47   and name HN    )   3.81  1.91  1.19
assign (resid   47   and name HB1   ) (resid   51   and name HE2   )   3.76  1.86  1.24
assign (resid   47   and name HA    ) (resid   51   and name HN    )   4.68  2.78  0.32
assign (resid   47   and name HB1   ) (resid   47   and name HA    )   3.60  1.70  1.40
assign (resid   47   and name HA    ) (resid   47   and name HN    )   3.13  1.23  0.37
assign (resid   47   and name HA    ) (resid   48   and name HN    )   3.08  1.18  0.42
assign (resid   47   and name HB2   ) (resid   47   and name HA    )   4.10  2.20  0.90
assign (resid   47   and name HA    ) (resid   50   and name HB+   )   3.00  1.10  1.50
assign (resid   47   and name HB2   ) (resid   47   and name HN    )   3.59  1.69  1.41
assign (resid   47   and name HA    ) (resid   51   and name HB2   )   3.60  1.70  1.40
assign (resid   47   and name HN    ) (resid   48   and name HN    )   3.61  1.71  1.39
assign (resid   47   and name HB1   ) (resid   48   and name HN    )   4.09  2.19  0.91
assign (resid   47   and name HB1   ) (resid   47   and name HN    )   3.52  1.62  1.48
assign (resid   48   and name HA    ) (resid   51   and name HD1   )   4.76  2.86  0.24
assign (resid   48   and name HG2+  ) (resid   49   and name HN    )   3.53  1.63  2.47
assign (resid   48   and name HA    ) (resid   48   and name HG12  )   4.46  2.56  0.54
assign (resid   48   and name HG12  ) (resid   48   and name HN    )   3.59  1.69  1.41
assign (resid   48   and name HA    ) (resid   48   and name HN    )   3.74  1.84  1.26
assign (resid   48   and name HA    ) (resid   48   and name HB    )   5.11  3.21 -0.11
assign (resid   48   and name HA    ) (resid   51   and name HE1   )   4.55  2.65  0.45
assign (resid   48   and name HG2+  ) (resid   51   and name HD1   )   3.56  1.66  2.44
assign (resid   48   and name HG2+  ) (resid   51   and name HZ    )   3.73  1.83  2.27
assign (resid   48   and name HN    ) (resid   49   and name HN    )   3.82  1.92  1.18
assign (resid   48   and name HD1+  ) (resid   48   and name HN    )   3.91  2.01  2.09
assign (resid   48   and name HG2+  ) (resid   51   and name HE1   )   4.77  2.87  1.23
assign (resid   48   and name HG2+  ) (resid   48   and name HN    )   3.58  1.68  2.42
assign (resid   48   and name HG12  ) (resid   48   and name HD1+  )   3.36  1.46  1.14
assign (resid   48   and name HA    ) (resid   48   and name HG2+  )   3.74  1.84  2.26
assign (resid   48   and name HG2+  ) (resid   48   and name HD1+  )   2.87  0.97  2.63
assign (resid   48   and name HA    ) (resid   51   and name HB2   )   4.16  2.26  0.84
assign (resid   48   and name HD1+  ) (resid   49   and name HG1   )   3.36  1.46  1.14
assign (resid   48   and name HB    ) (resid   48   and name HN    )   3.49  1.59  0.01
assign (resid   48   and name HA    ) (resid   52   and name HN    )   4.69  2.79  0.31
assign (resid   48   and name HA    ) (resid   48   and name HD1+  )   4.03  2.13  1.97
assign (resid   48   and name HA    ) (resid   51   and name HN    )   4.31  2.41  0.69
assign (resid   48   and name HB    ) (resid   48   and name HD1+  )   3.53  1.63  2.47
assign (resid   48   and name HA    ) (resid   48   and name HG11  )   4.22  2.32  0.78
assign (resid   48   and name HG11  ) (resid   48   and name HD1+  )   3.54  1.64  2.46
assign (resid   48   and name HB    ) (resid   48   and name HG2+  )   3.10  1.20  1.40
assign (resid   48   and name HB    ) (resid   49   and name HN    )   3.56  1.66  1.44
assign (resid   49   and name HG2   ) (resid   49   and name HN    )   3.56  1.66  1.44
assign (resid   49   and name HA    ) (resid   52   and name HB    )   3.57  1.67  1.43
assign (resid   49   and name HA    ) (resid   52   and name HG2+  )   4.29  2.39  1.71
assign (resid   49   and name HB1   ) (resid   49   and name HN    )   3.19  1.29  0.31
assign (resid   49   and name HB1   ) (resid   50   and name HN    )   3.86  1.96  1.14
assign (resid   49   and name HG1   ) (resid   49   and name HN    )   3.97  2.07  1.03
assign (resid   49   and name HA    ) (resid   52   and name HN    )   4.24  2.34  0.76
assign (resid   49   and name HA    ) (resid   49   and name HN    )   3.35  1.45  0.15
assign (resid   49   and name HN    ) (resid   50   and name HN    )   3.72  1.82  1.28
assign (resid   49   and name HA    ) (resid   50   and name HN    )   4.14  2.24  0.86
assign (resid   50   and name HA    ) (resid   50   and name HB+   )   3.00  1.10  1.50
assign (resid   50   and name HA    ) (resid   72   and name HN    )   3.29  1.39  0.21
assign (resid   50   and name HB+   ) (resid   50   and name HN    )   3.13  1.23  1.37
assign (resid   50   and name HA    ) (resid   50   and name HN    )   3.50  1.60  1.50
assign (resid   50   and name HN    ) (resid   51   and name HN    )   3.86  1.96  1.14
assign (resid   50   and name HA    ) (resid   53   and name HN    )   4.62  2.72  0.38
assign (resid   50   and name HB+   ) (resid   52   and name HN    )   4.02  2.12  1.98
assign (resid   50   and name HB+   ) (resid   51   and name HN    )   3.52  1.62  2.48
assign (resid   51   and name HE1   ) (resid   51   and name HZ    )   2.92  1.02  0.58
assign (resid   51   and name HB1   ) (resid   51   and name HD1   )   4.00  2.10  1.00
assign (resid   51   and name HB1   ) (resid   51   and name HD2   )   4.00  2.10  1.00
assign (resid   51   and name HA    ) (resid   51   and name HD1   )   3.95  2.05  1.05
assign (resid   51   and name HB1   ) (resid   51   and name HE2   )   4.00  2.10  1.00
assign (resid   51   and name HN    ) (resid   52   and name HB    )   4.66  2.76  0.34
assign (resid   51   and name HA    ) (resid   51   and name HD2   )   3.95  2.05  1.05
assign (resid   51   and name HE1   ) (resid   55   and name HB1   )   3.74  1.84  1.26
assign (resid   51   and name HD1   ) (resid   52   and name HB    )   4.46  2.56  0.54
assign (resid   51   and name HD1   ) (resid   52   and name HA    )   3.58  1.68  1.42
assign (resid   51   and name HE1   ) (resid   52   and name HA    )   3.58  1.68  1.42
assign (resid   51   and name HD1   ) (resid   52   and name HN    )   4.11  2.21  0.89
assign (resid   51   and name HB2   ) (resid   51   and name HA    )   3.73  1.83  1.27
assign (resid   51   and name HB1   ) (resid   51   and name HN    )   3.83  1.93  1.17
assign (resid   51   and name HB2   ) (resid   51   and name HN    )   3.67  1.77  1.33
assign (resid   51   and name HB2   ) (resid   51   and name HD1   )   3.43  1.53  0.07
assign (resid   51   and name HB2   ) (resid   51   and name HD2   )   3.43  1.53  0.07
assign (resid   51   and name HA    ) (resid   51   and name HN    )   3.82  1.92  1.18
assign (resid   51   and name HE1   ) (resid   55   and name HB2   )   5.03  3.13 -0.03
assign (resid   51   and name HN    ) (resid   52   and name HN    )   4.00  2.10  1.00
assign (resid   51   and name HN    ) (resid   51   and name HD1   )   4.32  2.42  0.68
assign (resid   51   and name HB2   ) (resid   52   and name HN    )   4.30  2.40  0.70
assign (resid   51   and name HB1   ) (resid   52   and name HN    )   4.15  2.25  0.85
assign (resid   51   and name HD1   ) (resid   55   and name HB1   )   3.75  1.85  1.25
assign (resid   51   and name HB2   ) (resid   54   and name HB1   )   3.21  1.31  0.29
assign (resid   52   and name HB    ) (resid   52   and name HG2+  )   2.99  1.09  1.51
assign (resid   52   and name HA    ) (resid   52   and name HG2+  )   3.23  1.33  1.27
assign (resid   52   and name HG2+  ) (resid   56   and name HG1+  )   4.11  2.21  2.89
assign (resid   52   and name HG2+  ) (resid   53   and name HN    )   4.10  2.20  1.90
assign (resid   52   and name HA    ) (resid   55   and name HN    )   4.13  2.23  0.87
assign (resid   52   and name HA    ) (resid   56   and name HG1+  )   3.23  1.33  1.27
assign (resid   52   and name HB    ) (resid   53   and name HN    )   3.69  1.79  1.31
assign (resid   52   and name HG2+  ) (resid   53   and name HA    )   3.88  1.98  2.12
assign (resid   52   and name HB    ) (resid   52   and name HN    )   3.54  1.64  1.46
assign (resid   52   and name HG2+  ) (resid   52   and name HN    )   4.05  2.15  1.95
assign (resid   52   and name HA    ) (resid   56   and name HN    )   3.72  1.82  1.28
assign (resid   52   and name HA    ) (resid   52   and name HB    )   3.66  1.76  1.34
assign (resid   52   and name HA    ) (resid   55   and name HB2   )   3.93  2.03  1.07
assign (resid   52   and name HA    ) (resid   55   and name HB1   )   3.72  1.82  1.28
assign (resid   52   and name HA    ) (resid   52   and name HN    )   3.80  1.90  1.20
assign (resid   52   and name HN    ) (resid   53   and name HN    )   4.09  2.19  0.91
assign (resid   53   and name HA    ) (resid   56   and name HN    )   4.24  2.34  0.76
assign (resid   53   and name HA    ) (resid   57   and name HN    )   3.11  1.21  0.39
assign (resid   53   and name HA    ) (resid   54   and name HN    )   3.80  1.90  1.20
assign (resid   53   and name HA    ) (resid   71   and name HN    )   4.26  2.36  0.74
assign (resid   53   and name HN    ) (resid   54   and name HN    )   4.26  2.36  0.74
assign (resid   53   and name HA    ) (resid   70   and name HG2   )   3.81  1.91  1.19
assign (resid   53   and name HA    ) (resid   56   and name HG2+  )   3.64  1.74  2.36
assign (resid   53   and name HA    ) (resid   53   and name HN    )   3.57  1.67  1.43
assign (resid   53   and name HA    ) (resid   56   and name HG1+  )   4.08  2.18  1.92
assign (resid   54   and name HB2   ) (resid   54   and name HA    )   3.62  1.72  1.38
assign (resid   54   and name HA    ) (resid   57   and name HG1+  )   4.32  2.42  1.68
assign (resid   54   and name HA    ) (resid   71   and name HB1   )   3.75  1.85  1.25
assign (resid   54   and name HB2   ) (resid   72   and name HA    )   3.73  1.83  1.27
assign (resid   54   and name HN    ) (resid   55   and name HN    )   4.01  2.11  0.99
assign (resid   54   and name HB2   ) (resid   72   and name HB2   )   2.74  0.84  0.76
assign (resid   54   and name HB2   ) (resid   54   and name HN    )   4.09  2.19  0.91
assign (resid   54   and name HB2   ) (resid   71   and name HB1   )   2.74  0.84  0.76
assign (resid   55   and name HB1   ) (resid   55   and name HN    )   3.73  1.83  1.27
assign (resid   55   and name HA    ) (resid   55   and name HN    )   3.71  1.81  1.29
assign (resid   55   and name HB2   ) (resid   55   and name HA    )   3.81  1.91  1.19
assign (resid   55   and name HN    ) (resid   56   and name HN    )   4.20  2.30  0.80
assign (resid   55   and name HA    ) (resid   58   and name HN    )   3.80  1.90  1.20
assign (resid   55   and name HB1   ) (resid   56   and name HA    )   3.72  1.82  1.28
assign (resid   55   and name HA    ) (resid   56   and name HN    )   4.24  2.34  0.76
assign (resid   55   and name HB1   ) (resid   56   and name HN    )   4.35  2.45  0.65
assign (resid   55   and name HB2   ) (resid   55   and name HN    )   3.67  1.77  1.33
assign (resid   56   and name HA    ) (resid   56   and name HG2+  )   2.97  1.07  1.53
assign (resid   56   and name HG2+  ) (resid   70   and name HB1   )   3.18  1.28  1.32
assign (resid   56   and name HA    ) (resid   56   and name HN    )   3.72  1.82  1.28
assign (resid   56   and name HA    ) (resid   59   and name HN    )   4.12  2.22  0.88
assign (resid   56   and name HG2+  ) (resid   56   and name HN    )   3.35  1.45  1.15
assign (resid   56   and name HG1+  ) (resid   56   and name HN    )   3.92  2.02  2.08
assign (resid   56   and name HN    ) (resid   57   and name HN    )   4.51  2.61  0.49
assign (resid   56   and name HB    ) (resid   56   and name HN    )   3.76  1.86  1.24
assign (resid   56   and name HA    ) (resid   59   and name HB1   )   4.14  2.24  0.86
assign (resid   56   and name HB    ) (resid   56   and name HG1+  )   3.38  1.48  1.12
assign (resid   56   and name HA    ) (resid   56   and name HB    )   3.64  1.74  1.36
assign (resid   56   and name HA    ) (resid   56   and name HG1+  )   3.23  1.33  1.27
assign (resid   56   and name HA    ) (resid   57   and name HN    )   4.63  2.73  0.37
assign (resid   56   and name HG1+  ) (resid   57   and name HN    )   4.48  2.58  1.52
assign (resid   56   and name HG2+  ) (resid   57   and name HA    )   2.96  1.06  1.54
assign (resid   56   and name HA    ) (resid   59   and name HB2   )   4.23  2.33  0.77
assign (resid   56   and name HB    ) (resid   56   and name HG2+  )   3.12  1.22  1.38
assign (resid   56   and name HG2+  ) (resid   57   and name HB    )   3.24  1.34  1.26
assign (resid   56   and name HG2+  ) (resid   56   and name HG1+  )   2.69  0.79  2.01
assign (resid   56   and name HB    ) (resid   57   and name HN    )   3.88  1.98  1.12
assign (resid   57   and name HN    ) (resid   71   and name HN    )   3.67  1.77  1.33
assign (resid   57   and name HA    ) (resid   58   and name HN    )   3.87  1.97  1.13
assign (resid   57   and name HN    ) (resid   70   and name HB2   )   3.89  1.99  1.11
assign (resid   57   and name HG1+  ) (resid   57   and name HN    )   3.34  1.44  1.16
assign (resid   57   and name HG2+  ) (resid   57   and name HN    )   4.23  2.33  1.77
assign (resid   57   and name HG2+  ) (resid   61   and name HN    )   3.61  1.71  2.39
assign (resid   57   and name HB    ) (resid   58   and name HN    )   3.66  1.76  1.34
assign (resid   57   and name HB    ) (resid   57   and name HN    )   3.68  1.78  1.32
assign (resid   57   and name HA    ) (resid   60   and name HN    )   4.26  2.36  0.74
assign (resid   57   and name HA    ) (resid   57   and name HN    )   3.83  1.93  1.17
assign (resid   57   and name HA    ) (resid   57   and name HB    )   3.82  1.92  1.18
assign (resid   57   and name HN    ) (resid   58   and name HN    )   3.82  1.92  1.18
assign (resid   57   and name HG2+  ) (resid   61   and name HG    )   2.60  0.70  1.10
assign (resid   57   and name HB    ) (resid   57   and name HG2+  )   2.60  0.70  1.10
assign (resid   57   and name HG1+  ) (resid   58   and name HA    )   4.32  2.42  1.68
assign (resid   57   and name HA    ) (resid   57   and name HG2+  )   3.20  1.30  1.30
assign (resid   57   and name HG1+  ) (resid   70   and name HB1   )   3.18  1.28  1.32
assign (resid   57   and name HG1+  ) (resid   71   and name HB2   )   3.99  2.09  2.01
assign (resid   57   and name HG1+  ) (resid   57   and name HG2+  )   2.81  0.91  2.69
assign (resid   57   and name HG2+  ) (resid   58   and name HA    )   3.38  1.48  1.12
assign (resid   57   and name HA    ) (resid   57   and name HG1+  )   2.96  1.06  1.54
assign (resid   57   and name HG2+  ) (resid   58   and name HN    )   3.69  1.79  2.31
assign (resid   57   and name HB    ) (resid   57   and name HG1+  )   3.24  1.34  1.26
assign (resid   57   and name HG1+  ) (resid   58   and name HN    )   4.03  2.13  1.97
assign (resid   58   and name HB+   ) (resid   58   and name HN    )   2.92  1.02  1.58
assign (resid   58   and name HB+   ) (resid   59   and name HN    )   2.92  1.02  1.58
assign (resid   58   and name HA    ) (resid   62   and name HN    )   4.06  2.16  0.94
assign (resid   58   and name HA    ) (resid   59   and name HN    )   3.08  1.18  0.42
assign (resid   58   and name HA    ) (resid   58   and name HN    )   3.08  1.18  0.42
assign (resid   58   and name HA    ) (resid   61   and name HN    )   3.85  1.95  1.15
assign (resid   59   and name HN    ) (resid   60   and name HN    )   3.63  1.73  1.37
assign (resid   59   and name HB1   ) (resid   59   and name HN    )   3.51  1.61  1.49
assign (resid   59   and name HB2   ) (resid   60   and name HN    )   3.19  1.29  0.31
assign (resid   59   and name HB2   ) (resid   60   and name HA    )   3.00  1.10  0.50
assign (resid   59   and name HB2   ) (resid   59   and name HA    )   3.26  1.36  0.24
assign (resid   59   and name HB2   ) (resid   59   and name HN    )   3.08  1.18  0.42
assign (resid   59   and name HA    ) (resid   60   and name HN    )   4.07  2.17  0.93
assign (resid   59   and name HA    ) (resid   59   and name HN    )   3.37  1.47  0.13
assign (resid   59   and name HB1   ) (resid   60   and name HN    )   3.08  1.18  0.42
assign (resid   60   and name HN    ) (resid   61   and name HN    )   3.50  1.60  1.50
assign (resid   60   and name HA    ) (resid   64   and name HN    )   4.20  2.30  0.80
assign (resid   60   and name HA    ) (resid   63   and name HN    )   3.56  1.66  1.44
assign (resid   60   and name HA    ) (resid   63   and name HB+   )   3.16  1.26  1.34
assign (resid   60   and name HA    ) (resid   60   and name HN    )   3.08  1.18  0.42
assign (resid   61   and name HA    ) (resid   65   and name HG12  )   3.16  1.26  0.34
assign (resid   61   and name HN    ) (resid   62   and name HN    )   3.64  1.74  1.36
assign (resid   61   and name HB1   ) (resid   62   and name HN    )   4.22  2.32  0.78
assign (resid   61   and name HB1   ) (resid   61   and name HN    )   3.81  1.91  1.19
assign (resid   61   and name HA    ) (resid   65   and name HG2+  )   2.96  1.06  1.54
assign (resid   61   and name HG    ) (resid   61   and name HN    )   3.19  1.29  0.31
assign (resid   61   and name HA    ) (resid   61   and name HN    )   3.47  1.57  0.03
assign (resid   61   and name HG    ) (resid   65   and name HG2+  )   2.60  0.70  1.10
assign (resid   61   and name HN    ) (resid   63   and name HN    )   4.61  2.71  0.39
assign (resid   61   and name HG    ) (resid   62   and name HN    )   3.18  1.28  0.32
assign (resid   62   and name HA    ) (resid   65   and name HG2+  )   2.96  1.06  1.54
assign (resid   62   and name HA    ) (resid   65   and name HN    )   3.13  1.23  0.37
assign (resid   62   and name HG1   ) (resid   62   and name HN    )   3.18  1.28  0.32
assign (resid   62   and name HA    ) (resid   63   and name HN    )   3.56  1.66  1.44
assign (resid   62   and name HG1   ) (resid   63   and name HN    )   3.99  2.09  1.01
assign (resid   62   and name HB1   ) (resid   62   and name HN    )   4.13  2.23  0.87
assign (resid   62   and name HN    ) (resid   63   and name HN    )   3.80  1.90  1.20
assign (resid   62   and name HA    ) (resid   65   and name HG12  )   3.16  1.26  0.34
assign (resid   63   and name HN    ) (resid   64   and name HN    )   3.79  1.89  1.21
assign (resid   63   and name HA    ) (resid   64   and name HN    )   3.73  1.83  1.27
assign (resid   63   and name HB+   ) (resid   63   and name HN    )   3.04  1.14  1.46
assign (resid   63   and name HA    ) (resid   63   and name HB+   )   2.83  0.93  1.67
assign (resid   63   and name HA    ) (resid   63   and name HN    )   3.55  1.65  1.45
assign (resid   63   and name HB+   ) (resid   64   and name HN    )   3.64  1.74  2.36
assign (resid   64   and name HB2   ) (resid   64   and name HN    )   4.33  2.43  0.67
assign (resid   64   and name HA    ) (resid   64   and name HN    )   3.54  1.64  1.46
assign (resid   64   and name HB2   ) (resid   64   and name HA    )   3.50  1.60  1.50
assign (resid   64   and name HA    ) (resid   65   and name HN    )   3.56  1.66  1.44
assign (resid   64   and name HB1   ) (resid   67   and name HN    )   4.28  2.38  0.72
assign (resid   64   and name HN    ) (resid   65   and name HN    )   4.03  2.13  0.97
assign (resid   64   and name HB1   ) (resid   64   and name HA    )   3.20  1.30  0.30
assign (resid   64   and name HB1   ) (resid   64   and name HN    )   3.93  2.03  1.07
assign (resid   64   and name HB1   ) (resid   65   and name HA    )   3.91  2.01  1.09
assign (resid   65   and name HG2+  ) (resid   66   and name HN    )   4.02  2.12  1.98
assign (resid   65   and name HG12  ) (resid   65   and name HD1+  )   3.21  1.31  1.29
assign (resid   65   and name HB    ) (resid   65   and name HN    )   3.47  1.57  0.03
assign (resid   65   and name HB    ) (resid   65   and name HG2+  )   2.60  0.70  1.10
assign (resid   65   and name HA    ) (resid   65   and name HN    )   3.13  1.23  0.37
assign (resid   65   and name HB    ) (resid   65   and name HD1+  )   2.60  0.70  1.10
assign (resid   65   and name HN    ) (resid   66   and name HN    )   4.11  2.21  0.89
assign (resid   65   and name HA    ) (resid   66   and name HN    )   3.29  1.39  0.21
assign (resid   65   and name HA    ) (resid   67   and name HN    )   4.09  2.19  0.91
assign (resid   65   and name HG12  ) (resid   65   and name HG2+  )   3.21  1.31  1.29
assign (resid   65   and name HG12  ) (resid   65   and name HN    )   3.94  2.04  1.06
assign (resid   65   and name HG11  ) (resid   65   and name HN    )   4.24  2.34  0.76
assign (resid   65   and name HG2+  ) (resid   65   and name HN    )   3.91  2.01  2.09
assign (resid   65   and name HA    ) (resid   65   and name HG11  )   4.00  2.10  1.00
assign (resid   65   and name HA    ) (resid   65   and name HG12  )   3.16  1.26  0.34
assign (resid   66   and name HA    ) (resid   67   and name HN    )   3.99  2.09  1.01
assign (resid   66   and name HA    ) (resid   66   and name HN    )   3.69  1.79  1.31
assign (resid   66   and name HB2   ) (resid   66   and name HA    )   3.16  1.26  0.34
assign (resid   66   and name HB2   ) (resid   66   and name HN    )   3.70  1.80  1.30
assign (resid   67   and name HA    ) (resid   68   and name HN    )   3.21  1.31  0.29
assign (resid   67   and name HB1   ) (resid   67   and name HA    )   4.30  2.40  0.70
assign (resid   67   and name HA    ) (resid   67   and name HD2   )   3.26  1.36  0.24
assign (resid   67   and name HA    ) (resid   67   and name HN    )   3.13  1.23  0.37
assign (resid   68   and name HA    ) (resid   69   and name HN    )   3.38  1.48  0.12
assign (resid   68   and name HA    ) (resid   68   and name HN    )   4.04  2.14  0.96
assign (resid   69   and name HA    ) (resid   70   and name HN    )   3.81  1.91  1.19
assign (resid   69   and name HA    ) (resid   69   and name HN    )   3.98  2.08  1.02
assign (resid   69   and name HB2   ) (resid   69   and name HA    )   4.61  2.71  0.39
assign (resid   69   and name HB1   ) (resid   69   and name HA    )   3.27  1.37  0.23
assign (resid   69   and name HB2   ) (resid   69   and name HN    )   3.55  1.65  1.45
assign (resid   69   and name HB1   ) (resid   69   and name HN    )   4.34  2.44  0.66
assign (resid   70   and name HB2   ) (resid   71   and name HN    )   3.33  1.43  0.17
assign (resid   70   and name HA    ) (resid   70   and name HN    )   4.61  2.71  0.39
assign (resid   70   and name HA    ) (resid   71   and name HN    )   3.86  1.96  1.14
assign (resid   71   and name HA    ) (resid   71   and name HN    )   3.98  2.08  1.02
assign (resid   71   and name HB1   ) (resid   72   and name HA    )   3.17  1.27  0.33
assign (resid   71   and name HA    ) (resid   72   and name HB1   )   4.47  2.57  0.53
assign (resid   71   and name HB1   ) (resid   71   and name HA    )   3.17  1.27  0.33
assign (resid   71   and name HB2   ) (resid   72   and name HA    )   4.47  2.57  0.53
assign (resid   71   and name HB2   ) (resid   71   and name HA    )   4.47  2.57  0.53
assign (resid   72   and name HB2   ) (resid   72   and name HA    )   3.17  1.27  0.33
assign (resid   72   and name HB2   ) (resid   73   and name HA    )   3.50  1.60  0.00
assign (resid   72   and name HB1   ) (resid   72   and name HA    )   4.47  2.57  0.53
assign (resid   73   and name HA    ) (resid   73   and name HN    )   3.69  1.79  1.31
assign (resid   73   and name HA    ) (resid   74   and name HN    )   4.05  2.15  0.95
assign (resid   74   and name HA1   ) (resid   74   and name HN    )   4.37  2.47  0.63
assign (resid   74   and name HA2   ) (resid   74   and name HN    )   4.37  2.47  0.63
assign (resid   75   and name HA    ) (resid   75   and name HG1   )   3.16  1.26  0.34
assign (resid  6 and name o    and segid SEMI)
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assign (resid  6 and name o    and segid SEMI)
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assign (resid  7 and name o    and segid SEMI)
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assign (resid  7 and name o    and segid SEMI)
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assign (resid  8 and name o    and segid SEMI)
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assign (resid  8 and name o    and segid SEMI)
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assign (resid 18 and name o    and segid SEMI)
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assign (resid 18 and name o    and segid SEMI)
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assign (resid 19 and name o    and segid SEMI)
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assign (resid 19 and name o    and segid SEMI)
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assign (resid 20 and name o    and segid SEMI)
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assign (resid 20 and name o    and segid SEMI)
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assign (resid 21 and name o    and segid SEMI)
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assign (resid 21 and name o    and segid SEMI)
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assign (resid 22 and name o    and segid SEMI)
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assign (resid 22 and name o    and segid SEMI)
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assign (resid 23 and name o    and segid SEMI)
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assign (resid 23 and name o    and segid SEMI)
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assign (resid 24 and name o    and segid SEMI)
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assign (resid 24 and name o    and segid SEMI)
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assign (resid 33 and name o    and segid SEMI)
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assign (resid 33 and name o    and segid SEMI)
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assign (resid 34 and name o    and segid SEMI)
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assign (resid 34 and name o    and segid SEMI)
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assign (resid 35 and name o    and segid SEMI)
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assign (resid 35 and name o    and segid SEMI)
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assign (resid 46 and name o    and segid SEMI)
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assign (resid 46 and name o    and segid SEMI)
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assign (resid 47 and name o    and segid SEMI)
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assign (resid 47 and name o    and segid SEMI)
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assign (resid 48 and name o    and segid SEMI)
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assign (resid 48 and name o    and segid SEMI)
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assign (resid 49 and name o    and segid SEMI)
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assign (resid 49 and name o    and segid SEMI)
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assign (resid 50 and name o    and segid SEMI)
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assign (resid 50 and name o    and segid SEMI)
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assign (resid 51 and name o    and segid SEMI)
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assign (resid 51 and name o    and segid SEMI)
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assign (resid 52 and name o    and segid SEMI)
       (resid 56 and name hn   and segid SEMI)  1.8  0.0  0.2
assign (resid 52 and name o    and segid SEMI)
       (resid 56 and name n    and segid SEMI)  2.7  0.0  0.3
assign (resid 53 and name o    and segid SEMI)
       (resid 57 and name hn   and segid SEMI)  1.8  0.0  0.2
assign (resid 53 and name o    and segid SEMI)
       (resid 57 and name n    and segid SEMI)  2.7  0.0  0.3
assign (resid 54 and name o    and segid SEMI)
       (resid 58 and name hn   and segid SEMI)  1.8  0.0  0.2
assign (resid 54 and name o    and segid SEMI)
       (resid 58 and name n    and segid SEMI)  2.7  0.0  0.3
assign (resid 55 and name o    and segid SEMI)
       (resid 59 and name hn   and segid SEMI)  1.8  0.0  0.2
assign (resid 55 and name o    and segid SEMI)
       (resid 59 and name n    and segid SEMI)  2.7  0.0  0.3
assign (resid 56 and name o    and segid SEMI)
       (resid 60 and name hn   and segid SEMI)  1.8  0.0  0.2
assign (resid 56 and name o    and segid SEMI)
       (resid 60 and name n    and segid SEMI)  2.7  0.0  0.3
assign (resid 57 and name o    and segid SEMI)
       (resid 61 and name hn   and segid SEMI)  1.8  0.0  0.2
assign (resid 57 and name o    and segid SEMI)
       (resid 61 and name n    and segid SEMI)  2.7  0.0  0.3
assign (resid 58 and name o    and segid SEMI)
       (resid 62 and name hn   and segid SEMI)  1.8  0.0  0.2
assign (resid 58 and name o    and segid SEMI)
       (resid 62 and name n    and segid SEMI)  2.7  0.0  0.3
assign (resid 59 and name o    and segid SEMI)
       (resid 63 and name hn   and segid SEMI)  1.8  0.0  0.2
assign (resid 59 and name o    and segid SEMI)
       (resid 63 and name n    and segid SEMI)  2.7  0.0  0.3
	reset
assign  (resid   1 and name c  and segid SEMI)
        (resid   2 and name n  and segid SEMI)
        (resid   2 and name ca and segid SEMI)
        (resid   2 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid   2 and name c  and segid SEMI)
        (resid   3 and name n  and segid SEMI)
        (resid   3 and name ca and segid SEMI)
        (resid   3 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid   3 and name c  and segid SEMI)
        (resid   4 and name n  and segid SEMI)
        (resid   4 and name ca and segid SEMI)
        (resid   4 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid   4 and name c  and segid SEMI)
        (resid   5 and name n  and segid SEMI)
        (resid   5 and name ca and segid SEMI)
        (resid   5 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid   5 and name c  and segid SEMI)
        (resid   6 and name n  and segid SEMI)
        (resid   6 and name ca and segid SEMI)
        (resid   6 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid   6 and name c  and segid SEMI)
        (resid   7 and name n  and segid SEMI)
        (resid   7 and name ca and segid SEMI)
        (resid   7 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid   7 and name c  and segid SEMI)
        (resid   8 and name n  and segid SEMI)
        (resid   8 and name ca and segid SEMI)
        (resid   8 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid   8 and name c  and segid SEMI)
        (resid   9 and name n  and segid SEMI)
        (resid   9 and name ca and segid SEMI)
        (resid   9 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid   9 and name c  and segid SEMI)
        (resid  10 and name n  and segid SEMI)
        (resid  10 and name ca and segid SEMI)
        (resid  10 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  10 and name c  and segid SEMI)
        (resid  11 and name n  and segid SEMI)
        (resid  11 and name ca and segid SEMI)
        (resid  11 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  11 and name c  and segid SEMI)
        (resid  12 and name n  and segid SEMI)
        (resid  12 and name ca and segid SEMI)
        (resid  12 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  12 and name c  and segid SEMI)
        (resid  13 and name n  and segid SEMI)
        (resid  13 and name ca and segid SEMI)
        (resid  13 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  13 and name c  and segid SEMI)
        (resid  14 and name n  and segid SEMI)
        (resid  14 and name ca and segid SEMI)
        (resid  14 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  14 and name c  and segid SEMI)
        (resid  15 and name n  and segid SEMI)
        (resid  15 and name ca and segid SEMI)
        (resid  15 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  15 and name c  and segid SEMI)
        (resid  16 and name n  and segid SEMI)
        (resid  16 and name ca and segid SEMI)
        (resid  16 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  16 and name c  and segid SEMI)
        (resid  17 and name n  and segid SEMI)
        (resid  17 and name ca and segid SEMI)
        (resid  17 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  17 and name c  and segid SEMI)
        (resid  18 and name n  and segid SEMI)
        (resid  18 and name ca and segid SEMI)
        (resid  18 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  18 and name c  and segid SEMI)
        (resid  19 and name n  and segid SEMI)
        (resid  19 and name ca and segid SEMI)
        (resid  19 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  19 and name c  and segid SEMI)
        (resid  20 and name n  and segid SEMI)
        (resid  20 and name ca and segid SEMI)
        (resid  20 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  20 and name c  and segid SEMI)
        (resid  21 and name n  and segid SEMI)
        (resid  21 and name ca and segid SEMI)
        (resid  21 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  21 and name c  and segid SEMI)
        (resid  22 and name n  and segid SEMI)
        (resid  22 and name ca and segid SEMI)
        (resid  22 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  22 and name c  and segid SEMI)
        (resid  23 and name n  and segid SEMI)
        (resid  23 and name ca and segid SEMI)
        (resid  23 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  23 and name c  and segid SEMI)
        (resid  24 and name n  and segid SEMI)
        (resid  24 and name ca and segid SEMI)
        (resid  24 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  25 and name c  and segid SEMI)
        (resid  26 and name n  and segid SEMI)
        (resid  26 and name ca and segid SEMI)
        (resid  26 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  26 and name c  and segid SEMI)
        (resid  27 and name n  and segid SEMI)
        (resid  27 and name ca and segid SEMI)
        (resid  27 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  27 and name c  and segid SEMI)
        (resid  28 and name n  and segid SEMI)
        (resid  28 and name ca and segid SEMI)
        (resid  28 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  28 and name c  and segid SEMI)
        (resid  29 and name n  and segid SEMI)
        (resid  29 and name ca and segid SEMI)
        (resid  29 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  29 and name c  and segid SEMI)
        (resid  30 and name n  and segid SEMI)
        (resid  30 and name ca and segid SEMI)
        (resid  30 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  30 and name c  and segid SEMI)
        (resid  31 and name n  and segid SEMI)
        (resid  31 and name ca and segid SEMI)
        (resid  31 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  31 and name c  and segid SEMI)
        (resid  32 and name n  and segid SEMI)
        (resid  32 and name ca and segid SEMI)
        (resid  32 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  32 and name c  and segid SEMI)
        (resid  33 and name n  and segid SEMI)
        (resid  33 and name ca and segid SEMI)
        (resid  33 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  33 and name c  and segid SEMI)
        (resid  34 and name n  and segid SEMI)
        (resid  34 and name ca and segid SEMI)
        (resid  34 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  34 and name c  and segid SEMI)
        (resid  35 and name n  and segid SEMI)
        (resid  35 and name ca and segid SEMI)
        (resid  35 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  35 and name c  and segid SEMI)
        (resid  36 and name n  and segid SEMI)
        (resid  36 and name ca and segid SEMI)
        (resid  36 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  36 and name c  and segid SEMI)
        (resid  37 and name n  and segid SEMI)
        (resid  37 and name ca and segid SEMI)
        (resid  37 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  37 and name c  and segid SEMI)
        (resid  38 and name n  and segid SEMI)
        (resid  38 and name ca and segid SEMI)
        (resid  38 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  38 and name c  and segid SEMI)
        (resid  39 and name n  and segid SEMI)
        (resid  39 and name ca and segid SEMI)
        (resid  39 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  39 and name c  and segid SEMI)
        (resid  40 and name n  and segid SEMI)
        (resid  40 and name ca and segid SEMI)
        (resid  40 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  40 and name c  and segid SEMI)
        (resid  41 and name n  and segid SEMI)
        (resid  41 and name ca and segid SEMI)
        (resid  41 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  41 and name c  and segid SEMI)
        (resid  42 and name n  and segid SEMI)
        (resid  42 and name ca and segid SEMI)
        (resid  42 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  42 and name c  and segid SEMI)
        (resid  43 and name n  and segid SEMI)
        (resid  43 and name ca and segid SEMI)
        (resid  43 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  45 and name c  and segid SEMI)
        (resid  46 and name n  and segid SEMI)
        (resid  46 and name ca and segid SEMI)
        (resid  46 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  46 and name c  and segid SEMI)
        (resid  47 and name n  and segid SEMI)
        (resid  47 and name ca and segid SEMI)
        (resid  47 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  47 and name c  and segid SEMI)
        (resid  48 and name n  and segid SEMI)
        (resid  48 and name ca and segid SEMI)
        (resid  48 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  48 and name c  and segid SEMI)
        (resid  49 and name n  and segid SEMI)
        (resid  49 and name ca and segid SEMI)
        (resid  49 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  49 and name c  and segid SEMI)
        (resid  50 and name n  and segid SEMI)
        (resid  50 and name ca and segid SEMI)
        (resid  50 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  50 and name c  and segid SEMI)
        (resid  51 and name n  and segid SEMI)
        (resid  51 and name ca and segid SEMI)
        (resid  51 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  51 and name c  and segid SEMI)
        (resid  52 and name n  and segid SEMI)
        (resid  52 and name ca and segid SEMI)
        (resid  52 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  52 and name c  and segid SEMI)
        (resid  53 and name n  and segid SEMI)
        (resid  53 and name ca and segid SEMI)
        (resid  53 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  53 and name c  and segid SEMI)
        (resid  54 and name n  and segid SEMI)
        (resid  54 and name ca and segid SEMI)
        (resid  54 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  54 and name c  and segid SEMI)
        (resid  55 and name n  and segid SEMI)
        (resid  55 and name ca and segid SEMI)
        (resid  55 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  55 and name c  and segid SEMI)
        (resid  56 and name n  and segid SEMI)
        (resid  56 and name ca and segid SEMI)
        (resid  56 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  56 and name c  and segid SEMI)
        (resid  57 and name n  and segid SEMI)
        (resid  57 and name ca and segid SEMI)
        (resid  57 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  57 and name c  and segid SEMI)
        (resid  58 and name n  and segid SEMI)
        (resid  58 and name ca and segid SEMI)
        (resid  58 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  58 and name c  and segid SEMI)
        (resid  59 and name n  and segid SEMI)
        (resid  59 and name ca and segid SEMI)
        (resid  59 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  59 and name c  and segid SEMI)
        (resid  60 and name n  and segid SEMI)
        (resid  60 and name ca and segid SEMI)
        (resid  60 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  60 and name c  and segid SEMI)
        (resid  61 and name n  and segid SEMI)
        (resid  61 and name ca and segid SEMI)
        (resid  61 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  61 and name c  and segid SEMI)
        (resid  62 and name n  and segid SEMI)
        (resid  62 and name ca and segid SEMI)
        (resid  62 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  62 and name c  and segid SEMI)
        (resid  63 and name n  and segid SEMI)
        (resid  63 and name ca and segid SEMI)
        (resid  63 and name c  and segid SEMI) 1 -60.0 40.0 2
assign  (resid  63 and name c  and segid SEMI)
        (resid  64 and name n  and segid SEMI)
        (resid  64 and name ca and segid SEMI)
        (resid  64 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  64 and name c  and segid SEMI)
        (resid  65 and name n  and segid SEMI)
        (resid  65 and name ca and segid SEMI)
        (resid  65 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  65 and name c  and segid SEMI)
        (resid  66 and name n  and segid SEMI)
        (resid  66 and name ca and segid SEMI)
        (resid  66 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  66 and name c  and segid SEMI)
        (resid  67 and name n  and segid SEMI)
        (resid  67 and name ca and segid SEMI)
        (resid  67 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  67 and name c  and segid SEMI)
        (resid  68 and name n  and segid SEMI)
        (resid  68 and name ca and segid SEMI)
        (resid  68 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  68 and name c  and segid SEMI)
        (resid  69 and name n  and segid SEMI)
        (resid  69 and name ca and segid SEMI)
        (resid  69 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  69 and name c  and segid SEMI)
        (resid  70 and name n  and segid SEMI)
        (resid  70 and name ca and segid SEMI)
        (resid  70 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  70 and name c  and segid SEMI)
        (resid  71 and name n  and segid SEMI)
        (resid  71 and name ca and segid SEMI)
        (resid  71 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  72 and name c  and segid SEMI)
        (resid  73 and name n  and segid SEMI)
        (resid  73 and name ca and segid SEMI)
        (resid  73 and name c  and segid SEMI) 1 -90.0 90.0 2
assign  (resid  74 and name c  and segid SEMI)
        (resid  75 and name n  and segid SEMI)
        (resid  75 and name ca and segid SEMI)
        (resid  75 and name c  and segid SEMI) 1 -90.0 90.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HN2      MET   1   8.983 -15.855  -1.513
    2   2H    MET   1           HN1      MET   1   8.865 -17.123  -2.638
    3   3H    MET   1           HN3      MET   1   7.461 -16.347  -2.084
    4    HA   MET   1           HA       MET   1   7.343 -17.562  -0.231
    5   1HB   MET   1           HB2      MET   1   9.483 -19.185  -1.641
    6   2HB   MET   1           HB1      MET   1   8.320 -19.784  -0.457
    7   1HG   MET   1           HG2      MET   1   6.820 -20.132  -2.095
    8   2HG   MET   1           HG1      MET   1   6.873 -18.420  -2.514
    9   1HE   MET   1           HE2      MET   1   6.985 -21.689  -3.823
   10   2HE   MET   1           HE1      MET   1   6.194 -20.396  -4.721
   11   3HE   MET   1           HE3      MET   1   7.503 -21.323  -5.467
   12    H    LEU   2           HN       LEU   2  10.627 -16.639  -1.058
   13    HA   LEU   2           HA       LEU   2  11.485 -17.118   1.752
   14   1HB   LEU   2           HB2      LEU   2  12.919 -16.709  -0.852
   15   2HB   LEU   2           HB1      LEU   2  13.748 -16.308   0.652
   16    HG   LEU   2           HG       LEU   2  12.395 -18.973   0.157
   17   1HD1  LEU   2           HD12     LEU   2  14.689 -18.039  -1.112
   18   2HD1  LEU   2           HD11     LEU   2  15.317 -18.953   0.260
   19   3HD1  LEU   2           HD13     LEU   2  14.243 -19.732  -0.901
   20   1HD2  LEU   2           HD22     LEU   2  13.906 -17.694   2.372
   21   2HD2  LEU   2           HD21     LEU   2  12.655 -18.934   2.434
   22   3HD2  LEU   2           HD23     LEU   2  14.315 -19.375   2.031
   23    H    GLN   3           HN       GLN   3  10.195 -14.666  -0.144
   24    HA   GLN   3           HA       GLN   3  10.890 -12.663   1.891
   25   1HB   GLN   3           HB2      GLN   3  11.816 -11.052   0.301
   26   2HB   GLN   3           HB1      GLN   3  12.772 -12.533   0.259
   27   1HG   GLN   3           HG2      GLN   3  11.586 -13.288  -1.739
   28   2HG   GLN   3           HG1      GLN   3  10.535 -11.872  -1.677
   29   1HE2  GLN   3           HE22     GLN   3  13.240  -9.619  -2.646
   30   2HE2  GLN   3           HE21     GLN   3  11.949  -9.689  -1.546
   31    H    LYS   4           HN       LYS   4  10.036 -10.418   0.328
   32    HA   LYS   4           HA       LYS   4   7.138 -11.064   0.157
   33   1HB   LYS   4           HB2      LYS   4   6.886  -8.552   0.171
   34   2HB   LYS   4           HB1      LYS   4   7.645  -9.209   1.621
   35   1HG   LYS   4           HG2      LYS   4   9.690  -8.713  -0.326
   36   2HG   LYS   4           HG1      LYS   4   8.699  -7.263  -0.172
   37   1HD   LYS   4           HD2      LYS   4   9.871  -8.776   2.178
   38   2HD   LYS   4           HD1      LYS   4  10.600  -7.338   1.462
   39   1HE   LYS   4           HE2      LYS   4   7.770  -6.936   2.024
   40   2HE   LYS   4           HE1      LYS   4   8.665  -7.377   3.478
   41   1HZ   LYS   4           HZ1      LYS   4   9.750  -5.351   1.639
   42   2HZ   LYS   4           HZ3      LYS   4   8.552  -4.916   2.757
   43   3HZ   LYS   4           HZ2      LYS   4  10.030  -5.551   3.303
   44    H    LYS   5           HN       LYS   5   6.103  -9.313  -1.550
   45    HA   LYS   5           HA       LYS   5   7.663  -9.572  -4.085
   46   1HB   LYS   5           HB2      LYS   5   4.741 -10.230  -3.619
   47   2HB   LYS   5           HB1      LYS   5   5.450 -10.036  -5.223
   48   1HG   LYS   5           HG2      LYS   5   7.218 -11.766  -4.376
   49   2HG   LYS   5           HG1      LYS   5   5.998 -12.159  -3.163
   50   1HD   LYS   5           HD2      LYS   5   4.357 -12.340  -5.153
   51   2HD   LYS   5           HD1      LYS   5   5.802 -12.403  -6.164
   52   1HE   LYS   5           HE2      LYS   5   5.422 -14.233  -3.788
   53   2HE   LYS   5           HE1      LYS   5   4.859 -14.660  -5.404
   54   1HZ   LYS   5           HZ3      LYS   5   7.350 -13.862  -5.920
   55   2HZ   LYS   5           HZ2      LYS   5   7.559 -14.506  -4.361
   56   3HZ   LYS   5           HZ1      LYS   5   6.926 -15.474  -5.605
   57    H    ILE   6           HN       ILE   6   4.377  -8.375  -3.984
   58    HA   ILE   6           HA       ILE   6   5.082  -5.882  -5.169
   59    HB   ILE   6           HB       ILE   6   2.627  -7.055  -3.948
   60   1HG1  ILE   6           HG12     ILE   6   3.341  -7.157  -6.401
   61   2HG1  ILE   6           HG11     ILE   6   1.705  -6.573  -6.103
   62   1HG2  ILE   6           HG22     ILE   6   2.983  -4.078  -4.417
   63   2HG2  ILE   6           HG21     ILE   6   1.423  -4.872  -4.201
   64   3HG2  ILE   6           HG23     ILE   6   2.598  -4.862  -2.885
   65   1HD1  ILE   6           HD13     ILE   6   3.845  -4.511  -6.127
   66   2HD1  ILE   6           HD12     ILE   6   3.465  -5.257  -7.679
   67   3HD1  ILE   6           HD11     ILE   6   2.202  -4.435  -6.763
   68    H    GLU   7           HN       GLU   7   5.105  -6.958  -1.872
   69    HA   GLU   7           HA       GLU   7   4.760  -4.645  -0.373
   70   1HB   GLU   7           HB2      GLU   7   5.659  -7.106   0.233
   71   2HB   GLU   7           HB1      GLU   7   7.197  -6.242   0.258
   72   1HG   GLU   7           HG2      GLU   7   6.679  -5.171   2.181
   73   2HG   GLU   7           HG1      GLU   7   5.058  -4.772   1.612
   74    H    GLU   8           HN       GLU   8   8.017  -5.683  -1.467
   75    HA   GLU   8           HA       GLU   8   9.108  -3.040  -1.095
   76   1HB   GLU   8           HB2      GLU   8  11.100  -3.911  -2.206
   77   2HB   GLU   8           HB1      GLU   8  10.479  -5.151  -1.116
   78   1HG   GLU   8           HG2      GLU   8   9.436  -6.336  -2.943
   79   2HG   GLU   8           HG1      GLU   8   9.804  -5.026  -4.067
   80    H    ILE   9           HN       ILE   9   7.553  -4.680  -3.806
   81    HA   ILE   9           HA       ILE   9   8.325  -3.007  -5.940
   82    HB   ILE   9           HB       ILE   9   5.557  -4.094  -5.304
   83   1HG1  ILE   9           HG12     ILE   9   7.408  -5.771  -5.584
   84   2HG1  ILE   9           HG11     ILE   9   6.162  -5.897  -6.826
   85   1HG2  ILE   9           HG23     ILE   9   5.499  -2.202  -6.908
   86   2HG2  ILE   9           HG22     ILE   9   6.684  -3.035  -7.914
   87   3HG2  ILE   9           HG21     ILE   9   5.079  -3.728  -7.685
   88   1HD1  ILE   9           HD12     ILE   9   8.190  -3.991  -7.623
   89   2HD1  ILE   9           HD11     ILE   9   8.926  -5.546  -7.235
   90   3HD1  ILE   9           HD13     ILE   9   7.653  -5.451  -8.452
   91    H    ALA  10           HN       ALA  10   6.355  -2.462  -3.148
   92    HA   ALA  10           HA       ALA  10   5.539   0.245  -4.014
   93   1HB   ALA  10           HB3      ALA  10   4.003  -1.282  -2.673
   94   2HB   ALA  10           HB2      ALA  10   5.124  -1.103  -1.323
   95   3HB   ALA  10           HB1      ALA  10   4.268   0.306  -1.950
   96    H    ALA  11           HN       ALA  11   7.730  -1.453  -1.837
   97    HA   ALA  11           HA       ALA  11   8.686   0.667  -0.276
   98   1HB   ALA  11           HB3      ALA  11  10.276  -1.622  -1.442
   99   2HB   ALA  11           HB2      ALA  11  10.815  -0.582  -0.123
  100   3HB   ALA  11           HB1      ALA  11   9.416  -1.634   0.098
  101    H    LYS  12           HN       LYS  12   9.088   0.053  -3.656
  102    HA   LYS  12           HA       LYS  12  11.335   1.964  -3.881
  103   1HB   LYS  12           HB2      LYS  12  10.097  -0.096  -5.631
  104   2HB   LYS  12           HB1      LYS  12  10.798   1.308  -6.438
  105   1HG   LYS  12           HG2      LYS  12  12.794   0.270  -6.230
  106   2HG   LYS  12           HG1      LYS  12  12.692   0.647  -4.509
  107   1HD   LYS  12           HD2      LYS  12  12.921  -1.641  -4.353
  108   2HD   LYS  12           HD1      LYS  12  11.166  -1.554  -4.515
  109   1HE   LYS  12           HE2      LYS  12  13.101  -1.928  -6.821
  110   2HE   LYS  12           HE1      LYS  12  12.169  -3.221  -6.067
  111   1HZ   LYS  12           HZ3      LYS  12  10.151  -1.836  -6.595
  112   2HZ   LYS  12           HZ2      LYS  12  11.158  -0.888  -7.582
  113   3HZ   LYS  12           HZ1      LYS  12  10.937  -2.537  -7.925
  114    H    TYR  13           HN       TYR  13   7.874   1.816  -4.424
  115    HA   TYR  13           HA       TYR  13   7.548   3.914  -6.280
  116   1HB   TYR  13           HB2      TYR  13   5.862   2.946  -3.963
  117   2HB   TYR  13           HB1      TYR  13   5.367   4.363  -4.869
  118    HD1  TYR  13           HD1      TYR  13   7.147   1.370  -6.065
  119    HD2  TYR  13           HD2      TYR  13   3.441   3.586  -6.201
  120    HE1  TYR  13           HE1      TYR  13   6.323  -0.119  -7.853
  121    HE2  TYR  13           HE2      TYR  13   2.661   2.103  -7.996
  122    HH   TYR  13           HH       TYR  13   3.025  -0.034  -8.892
  123    H    LYS  14           HN       LYS  14   9.032   5.532  -6.027
  124    HA   LYS  14           HA       LYS  14  10.439   6.943  -4.549
  125   1HB   LYS  14           HB2      LYS  14   8.345   7.941  -6.183
  126   2HB   LYS  14           HB1      LYS  14   8.418   8.956  -4.741
  127   1HG   LYS  14           HG2      LYS  14   9.938   9.754  -6.552
  128   2HG   LYS  14           HG1      LYS  14  10.808   9.325  -5.078
  129   1HD   LYS  14           HD2      LYS  14  10.599   6.950  -6.609
  130   2HD   LYS  14           HD1      LYS  14  11.105   8.224  -7.721
  131   1HE   LYS  14           HE2      LYS  14  12.447   8.165  -5.067
  132   2HE   LYS  14           HE1      LYS  14  12.858   6.869  -6.190
  133   1HZ   LYS  14           HZ3      LYS  14  12.773   9.394  -7.498
  134   2HZ   LYS  14           HZ2      LYS  14  13.862   9.421  -6.195
  135   3HZ   LYS  14           HZ1      LYS  14  14.035   8.263  -7.426
  136    H    HIS  15           HN       HIS  15  10.710   6.679  -2.408
  137    HA   HIS  15           HA       HIS  15   8.873   6.346  -0.375
  138   1HB   HIS  15           HB2      HIS  15  10.562   7.334   1.154
  139   2HB   HIS  15           HB1      HIS  15  11.287   6.214   0.001
  140    HD1  HIS  15           HD1      HIS  15  12.808   8.649   1.379
  141    HD2  HIS  15           HD2      HIS  15  11.237   8.633  -2.482
  142    HE1  HIS  15           HE1      HIS  15  14.087  10.401   0.078
  143    H    SER  16           HN       SER  16   9.549   9.321  -2.090
  144    HA   SER  16           HA       SER  16   8.734  11.321  -0.367
  145   1HB   SER  16           HB2      SER  16   8.980  11.080  -3.138
  146   2HB   SER  16           HB1      SER  16   7.305  11.569  -2.897
  147    HG   SER  16           HG       SER  16   8.482  13.427  -2.929
  148    H    VAL  17           HN       VAL  17   6.313  10.015  -2.610
  149    HA   VAL  17           HA       VAL  17   4.430   9.704  -0.322
  150    HB   VAL  17           HB       VAL  17   2.702  10.614  -2.158
  151   1HG1  VAL  17           HG11     VAL  17   3.245  11.479   0.183
  152   2HG1  VAL  17           HG13     VAL  17   4.411  12.555  -0.588
  153   3HG1  VAL  17           HG12     VAL  17   2.695  12.690  -0.975
  154   1HG2  VAL  17           HG23     VAL  17   5.351  11.938  -2.813
  155   2HG2  VAL  17           HG22     VAL  17   4.313  11.030  -3.913
  156   3HG2  VAL  17           HG21     VAL  17   3.787  12.595  -3.294
  157    H    VAL  18           HN       VAL  18   4.845   9.245  -3.829
  158    HA   VAL  18           HA       VAL  18   3.006   7.287  -4.417
  159    HB   VAL  18           HB       VAL  18   4.626   8.157  -6.045
  160   1HG1  VAL  18           HG13     VAL  18   6.486   6.850  -4.135
  161   2HG1  VAL  18           HG12     VAL  18   6.923   6.788  -5.839
  162   3HG1  VAL  18           HG11     VAL  18   6.680   8.345  -5.043
  163   1HG2  VAL  18           HG21     VAL  18   4.005   5.336  -5.678
  164   2HG2  VAL  18           HG23     VAL  18   4.045   6.283  -7.165
  165   3HG2  VAL  18           HG22     VAL  18   5.523   5.550  -6.548
  166    H    LYS  19           HN       LYS  19   5.766   6.929  -2.274
  167    HA   LYS  19           HA       LYS  19   5.854   4.049  -2.312
  168   1HB   LYS  19           HB2      LYS  19   7.785   4.933  -1.368
  169   2HB   LYS  19           HB1      LYS  19   6.915   6.212  -0.535
  170   1HG   LYS  19           HG2      LYS  19   6.675   4.945   1.335
  171   2HG   LYS  19           HG1      LYS  19   6.179   3.529   0.409
  172   1HD   LYS  19           HD2      LYS  19   8.248   2.639   0.470
  173   2HD   LYS  19           HD1      LYS  19   9.000   4.166   0.012
  174   1HE   LYS  19           HE2      LYS  19   8.981   4.951   2.284
  175   2HE   LYS  19           HE1      LYS  19   7.962   3.607   2.801
  176   1HZ   LYS  19           HZ3      LYS  19  10.327   2.703   1.492
  177   2HZ   LYS  19           HZ2      LYS  19  10.698   3.682   2.832
  178   3HZ   LYS  19           HZ1      LYS  19   9.726   2.302   3.027
  179    H    LYS  20           HN       LYS  20   5.056   5.759   0.682
  180    HA   LYS  20           HA       LYS  20   3.432   3.827   1.807
  181   1HB   LYS  20           HB2      LYS  20   2.880   6.805   1.975
  182   2HB   LYS  20           HB1      LYS  20   2.410   5.581   3.155
  183   1HG   LYS  20           HG2      LYS  20   5.187   5.249   2.757
  184   2HG   LYS  20           HG1      LYS  20   4.921   6.985   2.916
  185   1HD   LYS  20           HD2      LYS  20   3.509   5.172   4.827
  186   2HD   LYS  20           HD1      LYS  20   5.235   5.442   5.063
  187   1HE   LYS  20           HE2      LYS  20   4.595   7.973   4.744
  188   2HE   LYS  20           HE1      LYS  20   2.979   7.419   5.183
  189   1HZ   LYS  20           HZ1      LYS  20   5.430   6.911   6.778
  190   2HZ   LYS  20           HZ3      LYS  20   4.305   8.138   7.106
  191   3HZ   LYS  20           HZ2      LYS  20   3.838   6.509   7.213
  192    H    CYS  21           HN       CYS  21   2.623   5.920  -0.848
  193    HA   CYS  21           HA       CYS  21  -0.262   5.619  -0.766
  194   1HB   CYS  21           HB2      CYS  21   1.580   6.027  -3.121
  195   2HB   CYS  21           HB1      CYS  21  -0.166   6.210  -3.069
  196    H    CYS  22           HN       CYS  22   2.004   4.222  -3.149
  197    HA   CYS  22           HA       CYS  22   0.369   2.282  -4.183
  198   1HB   CYS  22           HB2      CYS  22   2.307   2.371  -5.286
  199   2HB   CYS  22           HB1      CYS  22   3.293   2.536  -3.843
  200    H    TYR  23           HN       TYR  23   2.239   2.179  -1.176
  201    HA   TYR  23           HA       TYR  23   1.696  -0.518  -0.462
  202   1HB   TYR  23           HB2      TYR  23   2.229   1.998   1.092
  203   2HB   TYR  23           HB1      TYR  23   1.660   0.568   1.955
  204    HD1  TYR  23           HD2      TYR  23   4.334   1.917  -0.204
  205    HD2  TYR  23           HD1      TYR  23   3.068  -1.371   2.239
  206    HE1  TYR  23           HE2      TYR  23   6.630   0.980  -0.284
  207    HE2  TYR  23           HE1      TYR  23   5.360  -2.318   2.151
  208    HH   TYR  23           HH       TYR  23   7.559  -1.761   1.686
  209    H    ASP  24           HN       ASP  24  -0.051   2.491   0.263
  210    HA   ASP  24           HA       ASP  24  -2.322   1.544   1.539
  211   1HB   ASP  24           HB2      ASP  24  -1.887   3.808  -0.444
  212   2HB   ASP  24           HB1      ASP  24  -3.520   3.417   0.124
  213    H    GLY  25           HN       GLY  25  -1.805   1.748  -1.967
  214   1HA   GLY  25           HA2      GLY  25  -4.238   0.740  -2.899
  215   2HA   GLY  25           HA1      GLY  25  -2.698   0.510  -3.725
  216    H    ALA  26           HN       ALA  26  -1.261  -1.245  -2.500
  217    HA   ALA  26           HA       ALA  26  -2.969  -3.664  -2.448
  218   1HB   ALA  26           HB3      ALA  26  -0.740  -3.417  -3.729
  219   2HB   ALA  26           HB2      ALA  26   0.032  -3.621  -2.156
  220   3HB   ALA  26           HB1      ALA  26  -0.991  -4.902  -2.810
  221    H    SER  27           HN       SER  27  -2.476  -1.580  -0.108
  222    HA   SER  27           HA       SER  27  -1.593  -3.528   1.939
  223   1HB   SER  27           HB2      SER  27  -1.809  -0.569   1.861
  224   2HB   SER  27           HB1      SER  27  -1.781  -1.393   3.403
  225    HG   SER  27           HG       SER  27   0.274  -1.712   3.137
  226    H    VAL  28           HN       VAL  28  -4.148  -1.095   1.476
  227    HA   VAL  28           HA       VAL  28  -5.755  -2.282   3.605
  228    HB   VAL  28           HB       VAL  28  -5.631   0.203   2.662
  229   1HG1  VAL  28           HG13     VAL  28  -7.825  -1.094   1.028
  230   2HG1  VAL  28           HG12     VAL  28  -7.701   0.640   1.289
  231   3HG1  VAL  28           HG11     VAL  28  -6.422  -0.213   0.430
  232   1HG2  VAL  28           HG22     VAL  28  -6.916  -0.655   4.641
  233   2HG2  VAL  28           HG21     VAL  28  -7.731   0.652   3.781
  234   3HG2  VAL  28           HG23     VAL  28  -8.257  -1.014   3.559
  235    H    ASN  29           HN       ASN  29  -8.211  -2.724   2.943
  236    HA   ASN  29           HA       ASN  29  -8.463  -5.136   1.669
  237   1HB   ASN  29           HB2      ASN  29 -10.264  -3.103   2.484
  238   2HB   ASN  29           HB1      ASN  29 -10.706  -3.527   0.831
  239   1HD2  ASN  29           HD22     ASN  29 -12.202  -5.912   3.455
  240   2HD2  ASN  29           HD21     ASN  29 -12.063  -4.220   3.479
  241    H    ASN  30           HN       ASN  30  -9.111  -5.788  -0.503
  242    HA   ASN  30           HA       ASN  30  -7.526  -4.723  -2.574
  243   1HB   ASN  30           HB2      ASN  30  -8.938  -6.027  -4.111
  244   2HB   ASN  30           HB1      ASN  30  -8.577  -6.963  -2.660
  245   1HD2  ASN  30           HD22     ASN  30 -12.023  -7.527  -2.225
  246   2HD2  ASN  30           HD21     ASN  30 -10.460  -8.183  -2.314
  247    H    ASP  31           HN       ASP  31 -10.488  -3.529  -1.267
  248    HA   ASP  31           HA       ASP  31 -10.514  -1.453  -3.402
  249   1HB   ASP  31           HB2      ASP  31 -12.584  -3.427  -2.855
  250   2HB   ASP  31           HB1      ASP  31 -13.196  -1.782  -2.685
  251    H    GLU  32           HN       GLU  32 -10.070  -1.991  -0.235
  252    HA   GLU  32           HA       GLU  32 -11.833  -0.218   1.114
  253   1HB   GLU  32           HB2      GLU  32  -9.441  -1.642   1.738
  254   2HB   GLU  32           HB1      GLU  32  -9.218   0.032   2.244
  255   1HG   GLU  32           HG2      GLU  32 -11.518  -1.788   3.009
  256   2HG   GLU  32           HG1      GLU  32 -10.238  -1.205   4.073
  257    H    THR  33           HN       THR  33  -8.654   0.408  -0.390
  258    HA   THR  33           HA       THR  33  -9.377   3.311  -0.419
  259    HB   THR  33           HB       THR  33  -6.575   2.170  -0.451
  260    HG1  THR  33           HG1      THR  33  -8.238   3.057   1.645
  261   1HG2  THR  33           HG21     THR  33  -7.693   4.954  -0.072
  262   2HG2  THR  33           HG23     THR  33  -5.997   4.524   0.142
  263   3HG2  THR  33           HG22     THR  33  -6.751   4.374  -1.445
  264    H    CYS  34           HN       CYS  34  -7.946   0.599  -2.180
  265    HA   CYS  34           HA       CYS  34  -6.999   1.625  -4.547
  266   1HB   CYS  34           HB2      CYS  34  -7.747  -0.831  -3.822
  267   2HB   CYS  34           HB1      CYS  34  -9.162  -0.433  -4.794
  268    H    GLU  35           HN       GLU  35 -10.330   1.665  -3.423
  269    HA   GLU  35           HA       GLU  35 -11.315   2.828  -5.958
  270   1HB   GLU  35           HB2      GLU  35 -12.476   1.157  -4.128
  271   2HB   GLU  35           HB1      GLU  35 -13.150   2.718  -3.656
  272   1HG   GLU  35           HG2      GLU  35 -14.653   1.905  -5.296
  273   2HG   GLU  35           HG1      GLU  35 -13.642   3.060  -6.164
  274    H    GLN  36           HN       GLN  36 -12.059   3.799  -2.597
  275    HA   GLN  36           HA       GLN  36 -12.786   6.407  -2.983
  276   1HB   GLN  36           HB2      GLN  36 -11.042   5.232  -0.814
  277   2HB   GLN  36           HB1      GLN  36 -11.558   6.918  -0.774
  278   1HG   GLN  36           HG2      GLN  36 -13.947   5.983  -1.138
  279   2HG   GLN  36           HG1      GLN  36 -13.261   4.432  -0.656
  280   1HE2  GLN  36           HE22     GLN  36 -14.213   5.595   2.605
  281   2HE2  GLN  36           HE21     GLN  36 -14.736   4.651   1.295
  282    H    ARG  37           HN       ARG  37  -9.560   5.131  -3.341
  283    HA   ARG  37           HA       ARG  37  -8.449   7.837  -3.765
  284   1HB   ARG  37           HB2      ARG  37  -7.383   5.217  -2.986
  285   2HB   ARG  37           HB1      ARG  37  -6.384   6.059  -4.171
  286   1HG   ARG  37           HG2      ARG  37  -5.844   6.580  -1.746
  287   2HG   ARG  37           HG1      ARG  37  -6.193   7.986  -2.750
  288   1HD   ARG  37           HD2      ARG  37  -8.064   8.496  -1.577
  289   2HD   ARG  37           HD1      ARG  37  -8.592   6.815  -1.534
  290    HE   ARG  37           HE       ARG  37  -6.471   6.899   0.254
  291   1HH1  ARG  37           HH21     ARG  37  -9.424   8.627  -0.221
  292   2HH1  ARG  37           HH22     ARG  37  -9.643   8.971   1.462
  293   1HH2  ARG  37           HH12     ARG  37  -6.747   7.341   2.450
  294   2HH2  ARG  37           HH11     ARG  37  -8.131   8.244   2.972
  295    H    ALA  38           HN       ALA  38  -8.856   4.714  -5.532
  296    HA   ALA  38           HA       ALA  38  -7.914   6.104  -7.990
  297   1HB   ALA  38           HB3      ALA  38  -7.349   3.617  -7.125
  298   2HB   ALA  38           HB2      ALA  38  -8.780   3.262  -8.092
  299   3HB   ALA  38           HB1      ALA  38  -7.384   4.041  -8.835
  300    H    ALA  39           HN       ALA  39 -10.624   6.553  -6.679
  301    HA   ALA  39           HA       ALA  39 -12.213   6.025  -9.149
  302   1HB   ALA  39           HB1      ALA  39 -12.614   4.681  -6.734
  303   2HB   ALA  39           HB3      ALA  39 -13.842   5.947  -6.734
  304   3HB   ALA  39           HB2      ALA  39 -13.765   4.793  -8.066
  305    H    ARG  40           HN       ARG  40 -12.860   7.559  -5.978
  306    HA   ARG  40           HA       ARG  40 -14.063   9.854  -7.348
  307   1HB   ARG  40           HB2      ARG  40 -14.734  10.549  -5.151
  308   2HB   ARG  40           HB1      ARG  40 -14.965   8.806  -5.221
  309   1HG   ARG  40           HG2      ARG  40 -12.486   8.759  -4.305
  310   2HG   ARG  40           HG1      ARG  40 -12.885  10.385  -3.750
  311   1HD   ARG  40           HD2      ARG  40 -14.969   8.369  -3.210
  312   2HD   ARG  40           HD1      ARG  40 -13.452   8.100  -2.352
  313    HE   ARG  40           HE       ARG  40 -13.972  10.797  -1.961
  314   1HH1  ARG  40           HH21     ARG  40 -15.672   7.824  -1.507
  315   2HH1  ARG  40           HH22     ARG  40 -16.591   8.407  -0.161
  316   1HH2  ARG  40           HH12     ARG  40 -15.166  11.566  -0.205
  317   2HH2  ARG  40           HH11     ARG  40 -16.306  10.521   0.575
  318    H    ILE  41           HN       ILE  41 -11.454   9.825  -8.123
  319    HA   ILE  41           HA       ILE  41  -9.770  11.386  -6.321
  320    HB   ILE  41           HB       ILE  41  -9.396  10.898  -9.288
  321   1HG1  ILE  41           HG12     ILE  41  -7.770   9.231  -7.612
  322   2HG1  ILE  41           HG11     ILE  41  -9.460   9.017  -7.149
  323   1HG2  ILE  41           HG23     ILE  41  -8.019  12.533  -7.546
  324   2HG2  ILE  41           HG22     ILE  41  -7.088  11.035  -7.486
  325   3HG2  ILE  41           HG21     ILE  41  -7.358  11.844  -9.030
  326   1HD1  ILE  41           HD13     ILE  41  -9.433   9.103  -9.973
  327   2HD1  ILE  41           HD12     ILE  41  -8.097   8.050  -9.504
  328   3HD1  ILE  41           HD11     ILE  41  -9.734   7.697  -8.950
  329    H    SER  42           HN       SER  42  -9.453  13.603  -6.360
  330    HA   SER  42           HA       SER  42 -11.386  15.177  -7.951
  331   1HB   SER  42           HB2      SER  42 -10.002  17.039  -6.558
  332   2HB   SER  42           HB1      SER  42 -11.366  16.157  -5.877
  333    HG   SER  42           HG       SER  42  -9.661  15.944  -4.472
  334    H    LEU  43           HN       LEU  43  -7.914  15.623  -7.196
  335    HA   LEU  43           HA       LEU  43  -7.513  16.347 -10.070
  336   1HB   LEU  43           HB2      LEU  43  -5.600  17.823  -9.028
  337   2HB   LEU  43           HB1      LEU  43  -7.257  18.427  -9.030
  338    HG   LEU  43           HG       LEU  43  -7.555  17.519  -6.728
  339   1HD1  LEU  43           HD12     LEU  43  -4.609  16.878  -7.054
  340   2HD1  LEU  43           HD11     LEU  43  -5.452  16.877  -5.504
  341   3HD1  LEU  43           HD13     LEU  43  -5.917  15.731  -6.762
  342   1HD2  LEU  43           HD23     LEU  43  -5.244  19.431  -7.184
  343   2HD2  LEU  43           HD22     LEU  43  -6.940  19.855  -6.954
  344   3HD2  LEU  43           HD21     LEU  43  -6.011  19.177  -5.617
  345    H    GLY  44           HN       GLY  44  -7.157  13.778  -8.665
  346   1HA   GLY  44           HA2      GLY  44  -5.555  12.076  -8.441
  347   2HA   GLY  44           HA1      GLY  44  -4.752  12.873  -9.790
  348    HA   PRO  45           HA       PRO  45  -3.134  14.849  -5.479
  349   1HB   PRO  45           HB2      PRO  45  -3.240  12.457  -3.855
  350   2HB   PRO  45           HB1      PRO  45  -3.923  14.050  -3.517
  351   1HG   PRO  45           HG2      PRO  45  -5.308  11.668  -4.266
  352   2HG   PRO  45           HG1      PRO  45  -5.986  13.268  -3.947
  353   1HD   PRO  45           HD2      PRO  45  -5.859  11.943  -6.438
  354   2HD   PRO  45           HD1      PRO  45  -6.349  13.615  -6.146
  355    H    ARG  46           HN       ARG  46  -2.658  11.310  -5.336
  356    HA   ARG  46           HA       ARG  46  -0.335  11.203  -6.967
  357   1HB   ARG  46           HB2      ARG  46   0.286  12.675  -4.798
  358   2HB   ARG  46           HB1      ARG  46   0.597  11.066  -4.145
  359   1HG   ARG  46           HG2      ARG  46   2.593  11.126  -5.189
  360   2HG   ARG  46           HG1      ARG  46   1.715  11.016  -6.714
  361   1HD   ARG  46           HD2      ARG  46   1.423  13.657  -6.225
  362   2HD   ARG  46           HD1      ARG  46   2.965  13.379  -5.416
  363    HE   ARG  46           HE       ARG  46   3.269  12.141  -7.880
  364   1HH1  ARG  46           HH21     ARG  46   2.338  15.267  -6.743
  365   2HH1  ARG  46           HH22     ARG  46   2.962  16.099  -8.127
  366   1HH2  ARG  46           HH12     ARG  46   4.087  13.216  -9.689
  367   2HH2  ARG  46           HH11     ARG  46   3.952  14.940  -9.792
  368    H    CYS  47           HN       CYS  47  -1.482   9.949  -3.794
  369    HA   CYS  47           HA       CYS  47  -0.460   7.339  -4.229
  370   1HB   CYS  47           HB2      CYS  47  -2.939   7.906  -2.586
  371   2HB   CYS  47           HB1      CYS  47  -1.830   6.577  -2.390
  372    H    ILE  48           HN       ILE  48  -3.408   8.861  -5.372
  373    HA   ILE  48           HA       ILE  48  -4.667   6.390  -6.039
  374    HB   ILE  48           HB       ILE  48  -6.225   7.674  -7.305
  375   1HG1  ILE  48           HG12     ILE  48  -4.457   8.887  -8.682
  376   2HG1  ILE  48           HG11     ILE  48  -5.834   9.865  -8.210
  377   1HG2  ILE  48           HG22     ILE  48  -6.113   8.141  -4.837
  378   2HG2  ILE  48           HG21     ILE  48  -5.170   9.584  -5.213
  379   3HG2  ILE  48           HG23     ILE  48  -6.831   9.442  -5.788
  380   1HD1  ILE  48           HD13     ILE  48  -4.518  10.668  -6.231
  381   2HD1  ILE  48           HD12     ILE  48  -3.113   9.831  -6.885
  382   3HD1  ILE  48           HD11     ILE  48  -3.845  11.154  -7.784
  383    H    LYS  49           HN       LYS  49  -2.704   8.599  -8.133
  384    HA   LYS  49           HA       LYS  49  -2.769   6.833 -10.381
  385   1HB   LYS  49           HB2      LYS  49  -1.100   9.145  -9.518
  386   2HB   LYS  49           HB1      LYS  49  -0.419   8.089 -10.755
  387   1HG   LYS  49           HG2      LYS  49  -3.121   8.484 -11.477
  388   2HG   LYS  49           HG1      LYS  49  -2.502  10.071 -11.020
  389   1HD   LYS  49           HD2      LYS  49  -0.451   8.849 -12.527
  390   2HD   LYS  49           HD1      LYS  49  -1.951   8.534 -13.401
  391   1HE   LYS  49           HE2      LYS  49  -2.465  11.045 -13.001
  392   2HE   LYS  49           HE1      LYS  49  -0.745  11.189 -12.640
  393   1HZ   LYS  49           HZ3      LYS  49  -1.811   9.974 -15.127
  394   2HZ   LYS  49           HZ2      LYS  49  -1.336  11.601 -15.001
  395   3HZ   LYS  49           HZ1      LYS  49  -0.195  10.360 -14.783
  396    H    ALA  50           HN       ALA  50  -0.053   7.415  -8.122
  397    HA   ALA  50           HA       ALA  50   1.594   5.266  -8.890
  398   1HB   ALA  50           HB3      ALA  50   1.060   6.306  -6.094
  399   2HB   ALA  50           HB2      ALA  50   2.403   5.259  -6.538
  400   3HB   ALA  50           HB1      ALA  50   2.305   6.893  -7.194
  401    H    PHE  51           HN       PHE  51  -0.587   5.301  -6.153
  402    HA   PHE  51           HA       PHE  51  -0.379   2.512  -5.816
  403   1HB   PHE  51           HB2      PHE  51  -1.257   2.982  -3.863
  404   2HB   PHE  51           HB1      PHE  51  -1.247   4.653  -4.306
  405    HD1  PHE  51           HD1      PHE  51  -3.574   4.419  -6.369
  406    HD2  PHE  51           HD2      PHE  51  -3.086   3.050  -2.356
  407    HE1  PHE  51           HE1      PHE  51  -6.020   4.389  -6.080
  408    HE2  PHE  51           HE2      PHE  51  -5.535   3.045  -2.059
  409    HZ   PHE  51           HZ       PHE  51  -7.008   3.706  -3.932
  410    H    THR  52           HN       THR  52  -2.155   4.175  -8.161
  411    HA   THR  52           HA       THR  52  -4.454   2.344  -8.195
  412    HB   THR  52           HB       THR  52  -3.523   4.605  -9.951
  413    HG1  THR  52           HG1      THR  52  -5.700   5.200  -9.598
  414   1HG2  THR  52           HG23     THR  52  -5.499   2.458 -10.779
  415   2HG2  THR  52           HG22     THR  52  -5.338   4.020 -11.580
  416   3HG2  THR  52           HG21     THR  52  -3.995   2.879 -11.597
  417    H    GLU  53           HN       GLU  53  -1.457   2.865 -10.035
  418    HA   GLU  53           HA       GLU  53  -1.917   0.466 -11.655
  419   1HB   GLU  53           HB2      GLU  53  -0.098   2.653 -11.685
  420   2HB   GLU  53           HB1      GLU  53   0.868   1.190 -11.502
  421   1HG   GLU  53           HG2      GLU  53   0.236   0.345 -13.552
  422   2HG   GLU  53           HG1      GLU  53  -1.346   1.124 -13.499
  423    H    CYS  54           HN       CYS  54  -0.351   1.298  -8.647
  424    HA   CYS  54           HA       CYS  54   1.038  -1.239  -8.328
  425   1HB   CYS  54           HB2      CYS  54   2.009   0.541  -7.197
  426   2HB   CYS  54           HB1      CYS  54   0.467   1.156  -6.595
  427    H    CYS  55           HN       CYS  55  -2.075   0.069  -7.309
  428    HA   CYS  55           HA       CYS  55  -2.691  -2.199  -5.588
  429   1HB   CYS  55           HB2      CYS  55  -3.827  -0.118  -5.076
  430   2HB   CYS  55           HB1      CYS  55  -4.444   0.023  -6.718
  431    H    VAL  56           HN       VAL  56  -3.797  -1.089  -8.790
  432    HA   VAL  56           HA       VAL  56  -5.405  -3.308  -9.440
  433    HB   VAL  56           HB       VAL  56  -4.913  -2.742 -11.821
  434   1HG1  VAL  56           HG12     VAL  56  -5.624  -0.654  -9.787
  435   2HG1  VAL  56           HG11     VAL  56  -5.478  -0.182 -11.481
  436   3HG1  VAL  56           HG13     VAL  56  -6.644  -1.418 -11.007
  437   1HG2  VAL  56           HG22     VAL  56  -2.736  -1.180 -10.476
  438   2HG2  VAL  56           HG21     VAL  56  -2.684  -2.106 -11.976
  439   3HG2  VAL  56           HG23     VAL  56  -3.463  -0.525 -11.943
  440    H    VAL  57           HN       VAL  57  -1.894  -2.820 -10.164
  441    HA   VAL  57           HA       VAL  57  -1.459  -5.382 -11.278
  442    HB   VAL  57           HB       VAL  57   0.356  -3.823 -11.368
  443   1HG1  VAL  57           HG11     VAL  57  -0.515  -2.985  -8.921
  444   2HG1  VAL  57           HG13     VAL  57   0.973  -3.826  -8.486
  445   3HG1  VAL  57           HG12     VAL  57   1.013  -2.502  -9.650
  446   1HG2  VAL  57           HG22     VAL  57   0.661  -6.417 -10.255
  447   2HG2  VAL  57           HG21     VAL  57   1.863  -5.484 -11.148
  448   3HG2  VAL  57           HG23     VAL  57   1.779  -5.361  -9.391
  449    H    ALA  58           HN       ALA  58  -0.972  -4.427  -7.831
  450    HA   ALA  58           HA       ALA  58  -0.361  -6.832  -6.663
  451   1HB   ALA  58           HB3      ALA  58  -1.989  -4.510  -5.811
  452   2HB   ALA  58           HB2      ALA  58  -2.253  -5.993  -4.894
  453   3HB   ALA  58           HB1      ALA  58  -0.636  -5.295  -4.997
  454    H    SER  59           HN       SER  59  -3.606  -5.813  -7.662
  455    HA   SER  59           HA       SER  59  -4.987  -8.183  -6.838
  456   1HB   SER  59           HB2      SER  59  -5.951  -6.934  -9.320
  457   2HB   SER  59           HB1      SER  59  -6.790  -7.184  -7.792
  458    HG   SER  59           HG       SER  59  -5.956  -5.326  -7.015
  459    H    GLN  60           HN       GLN  60  -4.095  -7.211 -10.136
  460    HA   GLN  60           HA       GLN  60  -4.628  -9.453 -11.563
  461   1HB   GLN  60           HB2      GLN  60  -3.318  -7.264 -12.224
  462   2HB   GLN  60           HB1      GLN  60  -1.896  -8.272 -11.952
  463   1HG   GLN  60           HG2      GLN  60  -2.188  -9.245 -13.956
  464   2HG   GLN  60           HG1      GLN  60  -3.790  -9.793 -13.463
  465   1HE2  GLN  60           HE22     GLN  60  -3.457  -6.343 -15.671
  466   2HE2  GLN  60           HE21     GLN  60  -2.099  -6.934 -14.840
  467    H    LEU  61           HN       LEU  61  -1.521  -9.061  -9.780
  468    HA   LEU  61           HA       LEU  61  -0.929 -11.892 -10.265
  469   1HB   LEU  61           HB2      LEU  61   0.753 -11.067  -8.166
  470   2HB   LEU  61           HB1      LEU  61   1.181 -11.320  -9.847
  471    HG   LEU  61           HG       LEU  61   1.906  -9.151  -9.164
  472   1HD1  LEU  61           HD13     LEU  61   0.092  -9.592 -11.300
  473   2HD1  LEU  61           HD12     LEU  61  -0.253  -7.994 -10.640
  474   3HD1  LEU  61           HD11     LEU  61   1.373  -8.385 -11.197
  475   1HD2  LEU  61           HD21     LEU  61  -0.928  -8.735  -8.245
  476   2HD2  LEU  61           HD23     LEU  61   0.535  -8.700  -7.273
  477   3HD2  LEU  61           HD22     LEU  61   0.221  -7.420  -8.443
  478    H    ARG  62           HN       ARG  62  -1.024 -10.172  -7.132
  479    HA   ARG  62           HA       ARG  62  -1.207 -12.096  -5.313
  480   1HB   ARG  62           HB2      ARG  62  -3.250  -9.878  -5.581
  481   2HB   ARG  62           HB1      ARG  62  -3.121 -10.901  -4.152
  482   1HG   ARG  62           HG2      ARG  62  -0.736  -9.418  -5.266
  483   2HG   ARG  62           HG1      ARG  62  -1.829  -8.681  -4.095
  484   1HD   ARG  62           HD2      ARG  62  -1.040 -11.373  -3.310
  485   2HD   ARG  62           HD1      ARG  62   0.354 -10.313  -3.498
  486    HE   ARG  62           HE       ARG  62  -1.428 -10.284  -1.298
  487   1HH1  ARG  62           HH21     ARG  62  -0.044  -8.059  -3.566
  488   2HH1  ARG  62           HH22     ARG  62  -0.398  -6.671  -2.597
  489   1HH2  ARG  62           HH12     ARG  62  -1.861  -8.481  -0.036
  490   2HH2  ARG  62           HH11     ARG  62  -1.412  -6.908  -0.603
  491    H    ALA  63           HN       ALA  63  -4.010 -11.473  -7.437
  492    HA   ALA  63           HA       ALA  63  -5.732 -13.471  -6.434
  493   1HB   ALA  63           HB2      ALA  63  -5.306 -12.298  -9.180
  494   2HB   ALA  63           HB1      ALA  63  -6.449 -13.621  -8.951
  495   3HB   ALA  63           HB3      ALA  63  -6.682 -12.095  -8.096
  496    H    ASN  64           HN       ASN  64  -3.598 -13.800  -9.283
  497    HA   ASN  64           HA       ASN  64  -3.003 -16.593  -8.416
  498   1HB   ASN  64           HB2      ASN  64  -4.583 -15.854 -10.664
  499   2HB   ASN  64           HB1      ASN  64  -3.035 -16.423 -11.288
  500   1HD2  ASN  64           HD22     ASN  64  -5.658 -19.091  -9.792
  501   2HD2  ASN  64           HD21     ASN  64  -6.053 -17.456 -10.013
  502    H    ILE  65           HN       ILE  65  -1.243 -14.687  -7.796
  503    HA   ILE  65           HA       ILE  65   0.562 -13.624  -9.601
  504    HB   ILE  65           HB       ILE  65   1.949 -15.023  -7.393
  505   1HG1  ILE  65           HG12     ILE  65  -0.348 -13.116  -6.890
  506   2HG1  ILE  65           HG11     ILE  65  -0.144 -14.739  -6.231
  507   1HG2  ILE  65           HG21     ILE  65   2.137 -12.633  -8.938
  508   2HG2  ILE  65           HG23     ILE  65   1.954 -12.159  -7.250
  509   3HG2  ILE  65           HG22     ILE  65   3.271 -13.231  -7.727
  510   1HD1  ILE  65           HD12     ILE  65   2.197 -13.460  -5.477
  511   2HD1  ILE  65           HD11     ILE  65   0.977 -12.198  -5.296
  512   3HD1  ILE  65           HD13     ILE  65   0.797 -13.728  -4.438
  513    H    SER  66           HN       SER  66   1.189 -14.674 -11.430
  514    HA   SER  66           HA       SER  66   3.041 -16.898 -11.214
  515   1HB   SER  66           HB2      SER  66   1.618 -18.430 -12.664
  516   2HB   SER  66           HB1      SER  66   1.076 -18.255 -10.997
  517    HG   SER  66           HG       SER  66  -0.584 -18.018 -12.648
  518    H    HIS  67           HN       HIS  67   0.869 -15.044 -13.341
  519    HA   HIS  67           HA       HIS  67   2.733 -15.383 -15.605
  520   1HB   HIS  67           HB2      HIS  67  -0.042 -14.846 -15.341
  521   2HB   HIS  67           HB1      HIS  67   0.680 -13.427 -16.100
  522    HD1  HIS  67           HD1      HIS  67  -0.968 -16.203 -17.228
  523    HD2  HIS  67           HD2      HIS  67   2.858 -14.782 -18.082
  524    HE1  HIS  67           HE1      HIS  67  -0.299 -17.232 -19.444
  525    H    LYS  68           HN       LYS  68   2.630 -12.916 -16.833
  526    HA   LYS  68           HA       LYS  68   4.697 -11.457 -15.605
  527   1HB   LYS  68           HB2      LYS  68   3.112 -11.202 -17.929
  528   2HB   LYS  68           HB1      LYS  68   2.956  -9.670 -17.067
  529   1HG   LYS  68           HG2      LYS  68   5.698 -10.566 -16.977
  530   2HG   LYS  68           HG1      LYS  68   5.136 -10.526 -18.649
  531   1HD   LYS  68           HD2      LYS  68   4.523  -8.218 -16.825
  532   2HD   LYS  68           HD1      LYS  68   6.118  -8.342 -17.567
  533   1HE   LYS  68           HE2      LYS  68   5.200  -7.344 -19.376
  534   2HE   LYS  68           HE1      LYS  68   4.389  -8.883 -19.674
  535   1HZ   LYS  68           HZ1      LYS  68   2.740  -7.888 -17.897
  536   2HZ   LYS  68           HZ3      LYS  68   3.340  -6.420 -18.499
  537   3HZ   LYS  68           HZ2      LYS  68   2.593  -7.527 -19.551
  538    H    ASP  69           HN       ASP  69   4.184  -8.911 -15.115
  539    HA   ASP  69           HA       ASP  69   1.809  -8.664 -13.370
  540   1HB   ASP  69           HB2      ASP  69   3.198  -7.912 -11.449
  541   2HB   ASP  69           HB1      ASP  69   3.509  -9.597 -11.870
  542    H    MET  70           HN       MET  70   1.071  -6.560 -13.329
  543    HA   MET  70           HA       MET  70   2.320  -4.647 -15.128
  544   1HB   MET  70           HB2      MET  70  -0.233  -5.019 -14.370
  545   2HB   MET  70           HB1      MET  70   0.211  -3.773 -13.209
  546   1HG   MET  70           HG2      MET  70  -0.134  -2.253 -14.835
  547   2HG   MET  70           HG1      MET  70   1.297  -2.897 -15.640
  548   1HE   MET  70           HE3      MET  70   1.092  -2.650 -17.694
  549   2HE   MET  70           HE2      MET  70   0.001  -3.406 -18.852
  550   3HE   MET  70           HE1      MET  70  -0.465  -1.897 -18.069
  551    H    CYS  71           HN       CYS  71   1.458  -2.413 -13.136
  552    HA   CYS  71           HA       CYS  71   4.068  -1.772 -12.188
  553   1HB   CYS  71           HB2      CYS  71   1.301  -0.770 -11.514
  554   2HB   CYS  71           HB1      CYS  71   2.726  -0.120 -10.698
  555   1H    CYS  72           HN1      CYS  72   3.106   4.616 -12.003
  556   2H    CYS  72           HN3      CYS  72   1.777   3.584 -12.211
  557   3H    CYS  72           HN2      CYS  72   1.599   5.031 -11.341
  558    HA   CYS  72           HA       CYS  72   1.725   3.414  -9.687
  559   1HB   CYS  72           HB2      CYS  72   4.008   1.998  -9.918
  560   2HB   CYS  72           HB1      CYS  72   2.411   1.427 -10.388
  561    H    LEU  73           HN       LEU  73   4.930   4.176 -11.060
  562    HA   LEU  73           HA       LEU  73   5.950   4.859  -8.448
  563   1HB   LEU  73           HB2      LEU  73   7.549   4.000  -9.975
  564   2HB   LEU  73           HB1      LEU  73   7.048   5.107 -11.251
  565    HG   LEU  73           HG       LEU  73   7.826   6.993  -9.670
  566   1HD1  LEU  73           HD11     LEU  73   8.926   4.531  -8.318
  567   2HD1  LEU  73           HD13     LEU  73   9.731   6.093  -8.166
  568   3HD1  LEU  73           HD12     LEU  73   8.075   5.894  -7.591
  569   1HD2  LEU  73           HD21     LEU  73   9.634   5.007 -11.038
  570   2HD2  LEU  73           HD23     LEU  73   9.145   6.609 -11.587
  571   3HD2  LEU  73           HD22     LEU  73  10.294   6.445 -10.259
  572    H    GLY  74           HN       GLY  74   6.612   7.029  -7.773
  573   1HA   GLY  74           HA2      GLY  74   5.325   9.237  -9.321
  574   2HA   GLY  74           HA1      GLY  74   5.081   9.111  -7.578
  575   1HN   DAR  75           HN       ARG  75   7.153  10.290 -10.034
  576    HA   DAR  75           HA       ARG  75   9.649  10.404  -8.684
  577   1HB   DAR  75           HB1      ARG  75   8.083  11.740  -7.094
  578   2HB   DAR  75           HB2      ARG  75   8.155  12.998  -8.328
  579   1HG   DAR  75           HG1      ARG  75  10.281  13.558  -7.774
  580   2HG   DAR  75           HG2      ARG  75  10.785  11.870  -7.672
  581   1HD   DAR  75           HD1      ARG  75  10.773  12.047  -5.428
  582   2HD   DAR  75           HD2      ARG  75   9.032  12.309  -5.501
  583    HNE  DAR  75           HE       ARG  75   9.474  14.480  -4.807
  584   1HH1  DAR  75           HH11     ARG  75  10.400  16.513  -5.024
  585   2HH1  DAR  75           HH12     ARG  75  11.840  16.703  -5.967
  586   1HH2  DAR  75           HH21     ARG  75  12.083  13.351  -6.790
  587   2HH2  DAR  75           HH22     ARG  75  12.779  14.923  -6.969
   
  No H/Q in entry =         587
  Start of MODEL    2
    1   1H    MET   1           HN1      MET   1   7.768 -20.801   5.625
    2   2H    MET   1           HN3      MET   1   9.117 -21.079   4.637
    3   3H    MET   1           HN2      MET   1   9.299 -21.039   6.325
    4    HA   MET   1           HA       MET   1   9.072 -18.761   6.454
    5   1HB   MET   1           HB2      MET   1  10.877 -19.853   4.571
    6   2HB   MET   1           HB1      MET   1  10.220 -18.395   3.829
    7   1HG   MET   1           HG2      MET   1  10.657 -17.561   6.410
    8   2HG   MET   1           HG1      MET   1  12.001 -18.674   6.157
    9   1HE   MET   1           HE1      MET   1  13.936 -17.779   5.881
   10   2HE   MET   1           HE3      MET   1  13.933 -18.286   4.186
   11   3HE   MET   1           HE2      MET   1  14.511 -16.681   4.629
   12    H    LEU   2           HN       LEU   2   8.981 -16.813   4.460
   13    HA   LEU   2           HA       LEU   2   6.297 -17.237   3.212
   14   1HB   LEU   2           HB2      LEU   2   5.629 -15.006   3.839
   15   2HB   LEU   2           HB1      LEU   2   6.219 -15.802   5.298
   16    HG   LEU   2           HG       LEU   2   8.485 -14.640   4.075
   17   1HD1  LEU   2           HD13     LEU   2   5.999 -13.030   3.766
   18   2HD1  LEU   2           HD12     LEU   2   7.428 -12.179   4.352
   19   3HD1  LEU   2           HD11     LEU   2   7.475 -13.016   2.801
   20   1HD2  LEU   2           HD23     LEU   2   7.019 -14.597   6.569
   21   2HD2  LEU   2           HD22     LEU   2   8.740 -14.326   6.295
   22   3HD2  LEU   2           HD21     LEU   2   7.607 -12.978   6.186
   23    H    GLN   3           HN       GLN   3   5.981 -15.111   1.676
   24    HA   GLN   3           HA       GLN   3   8.498 -14.392   0.321
   25   1HB   GLN   3           HB2      GLN   3   7.590 -15.186  -1.897
   26   2HB   GLN   3           HB1      GLN   3   8.019 -16.488  -0.786
   27   1HG   GLN   3           HG2      GLN   3   5.216 -15.396  -0.812
   28   2HG   GLN   3           HG1      GLN   3   5.712 -16.588  -2.012
   29   1HE2  GLN   3           HE22     GLN   3   6.059 -19.235   0.388
   30   2HE2  GLN   3           HE21     GLN   3   6.607 -18.692  -1.124
   31    H    LYS   4           HN       LYS   4   8.025 -12.798  -1.486
   32    HA   LYS   4           HA       LYS   4   5.383 -11.576  -1.577
   33   1HB   LYS   4           HB2      LYS   4   6.473  -9.315  -0.756
   34   2HB   LYS   4           HB1      LYS   4   5.839 -10.466   0.421
   35   1HG   LYS   4           HG2      LYS   4   8.025  -9.830   1.188
   36   2HG   LYS   4           HG1      LYS   4   8.170 -11.464   0.538
   37   1HD   LYS   4           HD2      LYS   4   9.603 -10.788  -1.066
   38   2HD   LYS   4           HD1      LYS   4   8.550  -9.452  -1.533
   39   1HE   LYS   4           HE2      LYS   4  10.302  -8.210  -0.717
   40   2HE   LYS   4           HE1      LYS   4   9.453  -8.475   0.806
   41   1HZ   LYS   4           HZ2      LYS   4  10.905 -10.683   0.693
   42   2HZ   LYS   4           HZ1      LYS   4  11.935  -9.641  -0.166
   43   3HZ   LYS   4           HZ3      LYS   4  11.465  -9.251   1.416
   44    H    LYS   5           HN       LYS   5   5.606  -9.387  -2.853
   45    HA   LYS   5           HA       LYS   5   7.970  -9.317  -4.620
   46   1HB   LYS   5           HB2      LYS   5   6.027 -10.914  -5.485
   47   2HB   LYS   5           HB1      LYS   5   5.311  -9.384  -5.991
   48   1HG   LYS   5           HG2      LYS   5   7.286  -8.824  -7.288
   49   2HG   LYS   5           HG1      LYS   5   8.134 -10.248  -6.681
   50   1HD   LYS   5           HD2      LYS   5   5.498 -10.655  -8.034
   51   2HD   LYS   5           HD1      LYS   5   6.899 -10.287  -9.041
   52   1HE   LYS   5           HE2      LYS   5   7.487 -12.456  -8.893
   53   2HE   LYS   5           HE1      LYS   5   7.798 -12.196  -7.176
   54   1HZ   LYS   5           HZ2      LYS   5   5.124 -12.425  -7.235
   55   2HZ   LYS   5           HZ1      LYS   5   5.573 -13.503  -8.469
   56   3HZ   LYS   5           HZ3      LYS   5   6.190 -13.706  -6.903
   57    H    ILE   6           HN       ILE   6   4.644  -8.030  -4.240
   58    HA   ILE   6           HA       ILE   6   5.324  -5.444  -5.325
   59    HB   ILE   6           HB       ILE   6   3.002  -6.510  -3.719
   60   1HG1  ILE   6           HG12     ILE   6   3.325  -6.967  -6.210
   61   2HG1  ILE   6           HG11     ILE   6   1.796  -6.207  -5.769
   62   1HG2  ILE   6           HG22     ILE   6   3.713  -3.664  -4.351
   63   2HG2  ILE   6           HG21     ILE   6   2.019  -4.152  -4.397
   64   3HG2  ILE   6           HG23     ILE   6   2.947  -4.328  -2.908
   65   1HD1  ILE   6           HD12     ILE   6   4.231  -4.636  -6.647
   66   2HD1  ILE   6           HD11     ILE   6   2.968  -5.160  -7.760
   67   3HD1  ILE   6           HD13     ILE   6   2.582  -4.040  -6.454
   68    H    GLU   7           HN       GLU   7   6.182  -6.913  -2.433
   69    HA   GLU   7           HA       GLU   7   5.930  -4.949  -0.452
   70   1HB   GLU   7           HB2      GLU   7   7.819  -7.165  -1.003
   71   2HB   GLU   7           HB1      GLU   7   8.407  -5.920   0.099
   72   1HG   GLU   7           HG2      GLU   7   5.679  -7.179   0.422
   73   2HG   GLU   7           HG1      GLU   7   7.123  -7.871   1.163
   74    H    GLU   8           HN       GLU   8   9.215  -5.371  -1.658
   75    HA   GLU   8           HA       GLU   8   9.748  -2.547  -1.397
   76   1HB   GLU   8           HB2      GLU   8  11.950  -3.057  -2.268
   77   2HB   GLU   8           HB1      GLU   8  11.479  -4.400  -1.226
   78   1HG   GLU   8           HG2      GLU   8  10.520  -5.429  -3.442
   79   2HG   GLU   8           HG1      GLU   8  11.625  -4.299  -4.225
   80    H    ILE   9           HN       ILE   9   8.692  -4.578  -4.078
   81    HA   ILE   9           HA       ILE   9   9.294  -2.820  -6.228
   82    HB   ILE   9           HB       ILE   9   6.928  -4.647  -5.731
   83   1HG1  ILE   9           HG12     ILE   9   9.156  -5.678  -6.137
   84   2HG1  ILE   9           HG11     ILE   9   8.020  -6.028  -7.440
   85   1HG2  ILE   9           HG22     ILE   9   7.332  -2.580  -7.795
   86   2HG2  ILE   9           HG21     ILE   9   6.929  -4.175  -8.432
   87   3HG2  ILE   9           HG23     ILE   9   5.847  -3.385  -7.285
   88   1HD1  ILE   9           HD12     ILE   9   9.420  -3.539  -7.944
   89   2HD1  ILE   9           HD11     ILE   9  10.563  -4.860  -7.699
   90   3HD1  ILE   9           HD13     ILE   9   9.327  -4.984  -8.949
   91    H    ALA  10           HN       ALA  10   7.029  -2.710  -3.613
   92    HA   ALA  10           HA       ALA  10   5.660  -0.299  -4.647
   93   1HB   ALA  10           HB3      ALA  10   5.303  -2.055  -2.206
   94   2HB   ALA  10           HB2      ALA  10   4.470  -0.509  -2.369
   95   3HB   ALA  10           HB1      ALA  10   4.171  -1.799  -3.534
   96    H    ALA  11           HN       ALA  11   8.117  -1.330  -2.395
   97    HA   ALA  11           HA       ALA  11   8.292   0.951  -0.735
   98   1HB   ALA  11           HB1      ALA  11  10.513  -0.862  -1.679
   99   2HB   ALA  11           HB3      ALA  11  10.629   0.270  -0.333
  100   3HB   ALA  11           HB2      ALA  11   9.522  -1.098  -0.240
  101    H    LYS  12           HN       LYS  12   9.440   0.379  -4.001
  102    HA   LYS  12           HA       LYS  12  11.253   2.625  -4.108
  103   1HB   LYS  12           HB2      LYS  12  10.029   0.756  -6.093
  104   2HB   LYS  12           HB1      LYS  12  10.756   2.249  -6.690
  105   1HG   LYS  12           HG2      LYS  12  12.713   1.104  -6.629
  106   2HG   LYS  12           HG1      LYS  12  12.641   1.365  -4.885
  107   1HD   LYS  12           HD2      LYS  12  12.435  -0.848  -4.548
  108   2HD   LYS  12           HD1      LYS  12  10.969  -0.868  -5.528
  109   1HE   LYS  12           HE2      LYS  12  12.220  -2.236  -6.868
  110   2HE   LYS  12           HE1      LYS  12  12.832  -0.702  -7.487
  111   1HZ   LYS  12           HZ1      LYS  12  14.199  -1.498  -5.122
  112   2HZ   LYS  12           HZ3      LYS  12  14.303  -2.698  -6.315
  113   3HZ   LYS  12           HZ2      LYS  12  14.829  -1.118  -6.653
  114    H    TYR  13           HN       TYR  13   7.871   2.520  -4.037
  115    HA   TYR  13           HA       TYR  13   7.331   4.730  -5.831
  116   1HB   TYR  13           HB2      TYR  13   5.743   3.463  -3.567
  117   2HB   TYR  13           HB1      TYR  13   5.140   4.839  -4.470
  118    HD1  TYR  13           HD1      TYR  13   7.105   1.913  -5.610
  119    HD2  TYR  13           HD2      TYR  13   3.335   3.993  -5.877
  120    HE1  TYR  13           HE1      TYR  13   6.395   0.383  -7.407
  121    HE2  TYR  13           HE2      TYR  13   2.660   2.467  -7.683
  122    HH   TYR  13           HH       TYR  13   3.229   0.105  -8.412
  123    H    LYS  14           HN       LYS  14   8.871   6.287  -5.301
  124    HA   LYS  14           HA       LYS  14  10.166   7.519  -3.578
  125   1HB   LYS  14           HB2      LYS  14   8.569   8.731  -5.372
  126   2HB   LYS  14           HB1      LYS  14   7.863   9.350  -3.881
  127   1HG   LYS  14           HG2      LYS  14  10.283   9.861  -3.156
  128   2HG   LYS  14           HG1      LYS  14  10.698   9.641  -4.855
  129   1HD   LYS  14           HD2      LYS  14   8.864  11.321  -5.398
  130   2HD   LYS  14           HD1      LYS  14   8.788  11.665  -3.670
  131   1HE   LYS  14           HE2      LYS  14  11.532  11.711  -4.397
  132   2HE   LYS  14           HE1      LYS  14  10.664  12.659  -5.606
  133   1HZ   LYS  14           HZ2      LYS  14  10.290  12.992  -2.683
  134   2HZ   LYS  14           HZ1      LYS  14  11.373  13.925  -3.603
  135   3HZ   LYS  14           HZ3      LYS  14   9.708  14.000  -3.921
  136    H    HIS  15           HN       HIS  15  10.382   7.353  -1.455
  137    HA   HIS  15           HA       HIS  15   8.412   6.679   0.424
  138   1HB   HIS  15           HB2      HIS  15   9.987   7.589   2.127
  139   2HB   HIS  15           HB1      HIS  15  10.797   6.568   0.942
  140    HD1  HIS  15           HD1      HIS  15  12.204   8.903   2.568
  141    HD2  HIS  15           HD2      HIS  15  10.827   9.182  -1.360
  142    HE1  HIS  15           HE1      HIS  15  13.512  10.774   1.480
  143    H    SER  16           HN       SER  16   9.033   9.772  -1.051
  144    HA   SER  16           HA       SER  16   8.134  11.649   0.760
  145   1HB   SER  16           HB2      SER  16   8.708  12.236  -1.552
  146   2HB   SER  16           HB1      SER  16   7.270  11.405  -2.137
  147    HG   SER  16           HG       SER  16   7.546  13.857  -0.872
  148    H    VAL  17           HN       VAL  17   5.784  10.343  -1.558
  149    HA   VAL  17           HA       VAL  17   3.910   9.792   0.682
  150    HB   VAL  17           HB       VAL  17   2.097  10.878  -0.862
  151   1HG1  VAL  17           HG12     VAL  17   2.992  11.668   1.409
  152   2HG1  VAL  17           HG11     VAL  17   4.020  12.773   0.495
  153   3HG1  VAL  17           HG13     VAL  17   2.265  12.900   0.378
  154   1HG2  VAL  17           HG23     VAL  17   4.517  11.492  -2.292
  155   2HG2  VAL  17           HG22     VAL  17   2.857  11.901  -2.721
  156   3HG2  VAL  17           HG21     VAL  17   3.802  12.995  -1.711
  157    H    VAL  18           HN       VAL  18   4.379   9.726  -2.842
  158    HA   VAL  18           HA       VAL  18   2.589   7.816  -3.694
  159    HB   VAL  18           HB       VAL  18   4.215   8.849  -5.190
  160   1HG1  VAL  18           HG12     VAL  18   6.131   7.302  -3.456
  161   2HG1  VAL  18           HG11     VAL  18   6.604   7.897  -5.043
  162   3HG1  VAL  18           HG13     VAL  18   6.115   9.030  -3.783
  163   1HG2  VAL  18           HG21     VAL  18   3.720   5.993  -5.074
  164   2HG2  VAL  18           HG23     VAL  18   3.854   7.033  -6.490
  165   3HG2  VAL  18           HG22     VAL  18   5.300   6.309  -5.787
  166    H    LYS  19           HN       LYS  19   5.307   7.295  -1.530
  167    HA   LYS  19           HA       LYS  19   5.476   4.438  -1.851
  168   1HB   LYS  19           HB2      LYS  19   7.347   5.347  -0.777
  169   2HB   LYS  19           HB1      LYS  19   6.376   6.419   0.221
  170   1HG   LYS  19           HG2      LYS  19   6.319   4.886   1.883
  171   2HG   LYS  19           HG1      LYS  19   5.728   3.643   0.783
  172   1HD   LYS  19           HD2      LYS  19   7.775   2.722   0.535
  173   2HD   LYS  19           HD1      LYS  19   8.557   4.293   0.369
  174   1HE   LYS  19           HE2      LYS  19   8.442   4.609   2.817
  175   2HE   LYS  19           HE1      LYS  19   7.668   3.032   2.979
  176   1HZ   LYS  19           HZ3      LYS  19   9.669   2.092   1.844
  177   2HZ   LYS  19           HZ2      LYS  19  10.409   3.612   2.009
  178   3HZ   LYS  19           HZ1      LYS  19   9.962   2.728   3.389
  179    H    LYS  20           HN       LYS  20   4.522   5.849   1.259
  180    HA   LYS  20           HA       LYS  20   2.935   3.775   2.159
  181   1HB   LYS  20           HB2      LYS  20   3.332   6.488   2.894
  182   2HB   LYS  20           HB1      LYS  20   1.588   6.229   2.840
  183   1HG   LYS  20           HG2      LYS  20   2.467   3.934   4.077
  184   2HG   LYS  20           HG1      LYS  20   3.585   5.144   4.708
  185   1HD   LYS  20           HD2      LYS  20   1.806   5.298   6.219
  186   2HD   LYS  20           HD1      LYS  20   1.415   6.573   5.063
  187   1HE   LYS  20           HE2      LYS  20  -0.604   5.527   4.950
  188   2HE   LYS  20           HE1      LYS  20   0.239   4.415   3.871
  189   1HZ   LYS  20           HZ2      LYS  20   0.779   3.041   5.804
  190   2HZ   LYS  20           HZ1      LYS  20  -0.106   4.092   6.804
  191   3HZ   LYS  20           HZ3      LYS  20  -0.900   3.202   5.598
  192    H    CYS  21           HN       CYS  21   2.178   6.032  -0.360
  193    HA   CYS  21           HA       CYS  21  -0.694   5.699  -0.484
  194   1HB   CYS  21           HB2      CYS  21   1.356   6.287  -2.620
  195   2HB   CYS  21           HB1      CYS  21  -0.384   6.400  -2.780
  196    H    CYS  22           HN       CYS  22   1.887   4.336  -2.542
  197    HA   CYS  22           HA       CYS  22   0.293   2.500  -3.918
  198   1HB   CYS  22           HB2      CYS  22   2.281   2.674  -4.900
  199   2HB   CYS  22           HB1      CYS  22   3.174   2.837  -3.396
  200    H    TYR  23           HN       TYR  23   2.139   2.151  -0.908
  201    HA   TYR  23           HA       TYR  23   1.445  -0.565  -0.382
  202   1HB   TYR  23           HB2      TYR  23   2.098   1.759   1.446
  203   2HB   TYR  23           HB1      TYR  23   1.737   0.149   2.069
  204    HD1  TYR  23           HD2      TYR  23   3.966   2.002  -0.250
  205    HD2  TYR  23           HD1      TYR  23   3.390  -1.554   2.071
  206    HE1  TYR  23           HE2      TYR  23   6.302   1.330  -0.717
  207    HE2  TYR  23           HE1      TYR  23   5.729  -2.241   1.598
  208    HH   TYR  23           HH       TYR  23   7.923  -0.978   0.990
  209    H    ASP  24           HN       ASP  24  -0.164   2.512   0.095
  210    HA   ASP  24           HA       ASP  24  -2.335   1.700   1.724
  211   1HB   ASP  24           HB2      ASP  24  -1.701   4.012   0.008
  212   2HB   ASP  24           HB1      ASP  24  -3.415   3.570  -0.058
  213    H    GLY  25           HN       GLY  25  -1.951   1.694  -1.791
  214   1HA   GLY  25           HA2      GLY  25  -4.523   0.741  -2.503
  215   2HA   GLY  25           HA1      GLY  25  -3.060   0.524  -3.462
  216    H    ALA  26           HN       ALA  26  -1.465  -1.117  -2.169
  217    HA   ALA  26           HA       ALA  26  -2.988  -3.634  -2.167
  218   1HB   ALA  26           HB1      ALA  26  -0.046  -3.003  -1.869
  219   2HB   ALA  26           HB3      ALA  26  -0.691  -4.644  -1.819
  220   3HB   ALA  26           HB2      ALA  26  -0.865  -3.671  -3.280
  221    H    SER  27           HN       SER  27  -2.643  -1.423   0.233
  222    HA   SER  27           HA       SER  27  -2.068  -3.413   2.344
  223   1HB   SER  27           HB2      SER  27  -2.147  -0.447   2.291
  224   2HB   SER  27           HB1      SER  27  -2.220  -1.307   3.810
  225    HG   SER  27           HG       SER  27  -0.262  -2.308   3.262
  226    H    VAL  28           HN       VAL  28  -4.486  -0.855   1.729
  227    HA   VAL  28           HA       VAL  28  -6.213  -1.723   3.839
  228    HB   VAL  28           HB       VAL  28  -7.513  -0.524   1.445
  229   1HG1  VAL  28           HG12     VAL  28  -7.549  -0.291   4.435
  230   2HG1  VAL  28           HG11     VAL  28  -8.142   1.062   3.474
  231   3HG1  VAL  28           HG13     VAL  28  -8.893  -0.524   3.322
  232   1HG2  VAL  28           HG21     VAL  28  -5.078   0.580   2.732
  233   2HG2  VAL  28           HG23     VAL  28  -5.771   0.933   1.150
  234   3HG2  VAL  28           HG22     VAL  28  -6.429   1.703   2.592
  235    H    ASN  29           HN       ASN  29  -8.683  -2.317   2.965
  236    HA   ASN  29           HA       ASN  29  -8.770  -5.029   2.533
  237   1HB   ASN  29           HB2      ASN  29 -10.654  -2.952   2.453
  238   2HB   ASN  29           HB1      ASN  29 -10.836  -3.788   0.914
  239   1HD2  ASN  29           HD22     ASN  29 -12.371  -6.605   2.361
  240   2HD2  ASN  29           HD21     ASN  29 -11.933  -5.778   0.945
  241    H    ASN  30           HN       ASN  30  -9.418  -6.253   0.520
  242    HA   ASN  30           HA       ASN  30  -7.471  -6.269  -1.438
  243   1HB   ASN  30           HB2      ASN  30  -9.226  -7.302  -2.952
  244   2HB   ASN  30           HB1      ASN  30  -9.086  -8.053  -1.361
  245   1HD2  ASN  30           HD22     ASN  30 -12.569  -7.618  -0.991
  246   2HD2  ASN  30           HD21     ASN  30 -11.262  -8.701  -1.019
  247    H    ASP  31           HN       ASP  31 -10.141  -4.019  -1.148
  248    HA   ASP  31           HA       ASP  31  -8.944  -2.391  -3.276
  249   1HB   ASP  31           HB2      ASP  31 -11.114  -2.214  -4.526
  250   2HB   ASP  31           HB1      ASP  31 -10.377  -3.814  -4.619
  251    H    GLU  32           HN       GLU  32  -9.862  -2.338  -0.290
  252    HA   GLU  32           HA       GLU  32 -11.984  -0.573   0.111
  253   1HB   GLU  32           HB2      GLU  32 -10.982  -1.252   2.099
  254   2HB   GLU  32           HB1      GLU  32  -9.352  -0.912   1.522
  255   1HG   GLU  32           HG2      GLU  32  -9.457   1.272   2.172
  256   2HG   GLU  32           HG1      GLU  32 -11.138   1.440   1.667
  257    H    THR  33           HN       THR  33  -8.781   0.871   0.450
  258    HA   THR  33           HA       THR  33  -9.644   3.393  -0.615
  259    HB   THR  33           HB       THR  33  -6.770   2.514  -0.570
  260    HG1  THR  33           HG1      THR  33  -6.907   3.265   1.686
  261   1HG2  THR  33           HG23     THR  33  -8.093   4.921  -1.065
  262   2HG2  THR  33           HG22     THR  33  -7.466   5.086   0.575
  263   3HG2  THR  33           HG21     THR  33  -6.368   4.716  -0.756
  264    H    CYS  34           HN       CYS  34  -7.816   0.680  -1.992
  265    HA   CYS  34           HA       CYS  34  -6.922   1.494  -4.446
  266   1HB   CYS  34           HB2      CYS  34  -7.237  -0.897  -3.519
  267   2HB   CYS  34           HB1      CYS  34  -8.828  -0.837  -4.275
  268    H    GLU  35           HN       GLU  35 -10.291   1.220  -3.470
  269    HA   GLU  35           HA       GLU  35 -11.257   1.928  -6.170
  270   1HB   GLU  35           HB2      GLU  35 -12.398   0.248  -4.627
  271   2HB   GLU  35           HB1      GLU  35 -12.920   1.631  -3.666
  272   1HG   GLU  35           HG2      GLU  35 -13.826   2.597  -5.879
  273   2HG   GLU  35           HG1      GLU  35 -13.630   0.966  -6.522
  274    H    GLN  36           HN       GLN  36 -12.239   3.241  -2.992
  275    HA   GLN  36           HA       GLN  36 -13.298   5.641  -3.771
  276   1HB   GLN  36           HB2      GLN  36 -11.652   4.883  -1.388
  277   2HB   GLN  36           HB1      GLN  36 -12.081   6.579  -1.615
  278   1HG   GLN  36           HG2      GLN  36 -14.325   6.202  -1.281
  279   2HG   GLN  36           HG1      GLN  36 -14.259   4.574  -1.958
  280   1HE2  GLN  36           HE22     GLN  36 -13.953   3.071   1.202
  281   2HE2  GLN  36           HE21     GLN  36 -14.334   2.908  -0.444
  282    H    ARG  37           HN       ARG  37  -9.911   4.802  -3.885
  283    HA   ARG  37           HA       ARG  37  -9.217   7.582  -4.633
  284   1HB   ARG  37           HB2      ARG  37  -7.623   5.182  -3.789
  285   2HB   ARG  37           HB1      ARG  37  -6.836   6.548  -4.568
  286   1HG   ARG  37           HG2      ARG  37  -8.382   6.526  -1.967
  287   2HG   ARG  37           HG1      ARG  37  -6.684   6.931  -2.204
  288   1HD   ARG  37           HD2      ARG  37  -7.829   8.741  -3.863
  289   2HD   ARG  37           HD1      ARG  37  -9.108   8.580  -2.661
  290    HE   ARG  37           HE       ARG  37  -6.782   8.891  -1.163
  291   1HH1  ARG  37           HH21     ARG  37  -8.400  10.592  -3.696
  292   2HH1  ARG  37           HH22     ARG  37  -7.833  12.146  -3.189
  293   1HH2  ARG  37           HH12     ARG  37  -6.037  10.912  -0.493
  294   2HH2  ARG  37           HH11     ARG  37  -6.497  12.329  -1.378
  295    H    ALA  38           HN       ALA  38  -8.997   4.225  -5.953
  296    HA   ALA  38           HA       ALA  38  -7.871   5.254  -8.451
  297   1HB   ALA  38           HB2      ALA  38  -7.543   2.891  -7.494
  298   2HB   ALA  38           HB1      ALA  38  -9.161   2.548  -8.104
  299   3HB   ALA  38           HB3      ALA  38  -7.877   3.013  -9.221
  300    H    ALA  39           HN       ALA  39 -10.835   5.690  -7.211
  301    HA   ALA  39           HA       ALA  39 -12.093   5.651  -9.920
  302   1HB   ALA  39           HB1      ALA  39 -13.007   4.393  -7.414
  303   2HB   ALA  39           HB3      ALA  39 -14.234   5.364  -8.227
  304   3HB   ALA  39           HB2      ALA  39 -13.454   4.032  -9.081
  305    H    ARG  40           HN       ARG  40 -12.917   6.821  -6.632
  306    HA   ARG  40           HA       ARG  40 -13.986   9.304  -7.752
  307   1HB   ARG  40           HB2      ARG  40 -13.732   8.113  -5.009
  308   2HB   ARG  40           HB1      ARG  40 -14.032   9.846  -5.164
  309   1HG   ARG  40           HG2      ARG  40 -16.011   9.390  -6.557
  310   2HG   ARG  40           HG1      ARG  40 -15.709   7.657  -6.427
  311   1HD   ARG  40           HD2      ARG  40 -15.850   7.949  -3.899
  312   2HD   ARG  40           HD1      ARG  40 -16.464   9.572  -4.211
  313    HE   ARG  40           HE       ARG  40 -18.091   7.942  -5.751
  314   1HH1  ARG  40           HH21     ARG  40 -17.092   8.073  -2.447
  315   2HH1  ARG  40           HH22     ARG  40 -18.562   7.388  -1.841
  316   1HH2  ARG  40           HH12     ARG  40 -20.012   7.048  -4.971
  317   2HH2  ARG  40           HH11     ARG  40 -20.213   6.809  -3.267
  318    H    ILE  41           HN       ILE  41 -12.015  10.111  -8.775
  319    HA   ILE  41           HA       ILE  41  -9.985  11.114  -6.819
  320    HB   ILE  41           HB       ILE  41  -9.774  10.486  -9.774
  321   1HG1  ILE  41           HG12     ILE  41  -8.046   9.496  -7.510
  322   2HG1  ILE  41           HG11     ILE  41  -9.576   8.706  -7.898
  323   1HG2  ILE  41           HG23     ILE  41  -8.174  12.253  -8.016
  324   2HG2  ILE  41           HG22     ILE  41  -7.254  11.132  -9.020
  325   3HG2  ILE  41           HG21     ILE  41  -8.361  12.285  -9.769
  326   1HD1  ILE  41           HD12     ILE  41  -7.785   9.260 -10.199
  327   2HD1  ILE  41           HD11     ILE  41  -7.229   8.026  -9.068
  328   3HD1  ILE  41           HD13     ILE  41  -8.791   7.849  -9.868
  329    H    SER  42           HN       SER  42 -11.251  13.019  -6.312
  330    HA   SER  42           HA       SER  42 -12.455  14.806  -8.086
  331   1HB   SER  42           HB2      SER  42 -11.273  14.992  -5.404
  332   2HB   SER  42           HB1      SER  42 -11.218  16.510  -6.295
  333    HG   SER  42           HG       SER  42 -13.221  15.781  -5.012
  334    H    LEU  43           HN       LEU  43  -9.134  15.298  -6.836
  335    HA   LEU  43           HA       LEU  43  -8.457  16.478  -9.501
  336   1HB   LEU  43           HB2      LEU  43  -6.574  17.581  -7.980
  337   2HB   LEU  43           HB1      LEU  43  -8.181  18.299  -8.091
  338    HG   LEU  43           HG       LEU  43  -8.852  17.007  -6.059
  339   1HD1  LEU  43           HD12     LEU  43  -6.160  15.898  -6.506
  340   2HD1  LEU  43           HD11     LEU  43  -6.475  16.363  -4.835
  341   3HD1  LEU  43           HD13     LEU  43  -7.533  15.206  -5.642
  342   1HD2  LEU  43           HD22     LEU  43  -6.891  19.178  -6.206
  343   2HD2  LEU  43           HD21     LEU  43  -8.321  19.027  -5.183
  344   3HD2  LEU  43           HD23     LEU  43  -6.798  18.287  -4.687
  345    H    GLY  44           HN       GLY  44  -7.812  14.005  -7.253
  346   1HA   GLY  44           HA2      GLY  44  -6.369  12.153  -7.520
  347   2HA   GLY  44           HA1      GLY  44  -5.692  12.924  -8.954
  348    HA   PRO  45           HA       PRO  45  -3.654  14.862  -4.806
  349   1HB   PRO  45           HB2      PRO  45  -3.503  12.424  -3.257
  350   2HB   PRO  45           HB1      PRO  45  -4.183  13.986  -2.793
  351   1HG   PRO  45           HG2      PRO  45  -5.589  11.594  -3.422
  352   2HG   PRO  45           HG1      PRO  45  -6.267  13.177  -3.029
  353   1HD   PRO  45           HD2      PRO  45  -6.330  11.845  -5.537
  354   2HD   PRO  45           HD1      PRO  45  -6.895  13.480  -5.172
  355    H    ARG  46           HN       ARG  46  -3.050  11.343  -4.831
  356    HA   ARG  46           HA       ARG  46  -0.902  11.370  -6.694
  357   1HB   ARG  46           HB2      ARG  46  -0.037  12.843  -4.703
  358   2HB   ARG  46           HB1      ARG  46   0.184  11.293  -3.891
  359   1HG   ARG  46           HG2      ARG  46   2.258  11.732  -4.974
  360   2HG   ARG  46           HG1      ARG  46   1.444  10.544  -5.993
  361   1HD   ARG  46           HD2      ARG  46   0.684  12.293  -7.507
  362   2HD   ARG  46           HD1      ARG  46   1.354  13.538  -6.454
  363    HE   ARG  46           HE       ARG  46   3.532  11.933  -7.040
  364   1HH1  ARG  46           HH21     ARG  46   1.098  13.598  -8.840
  365   2HH1  ARG  46           HH22     ARG  46   2.122  13.883 -10.207
  366   1HH2  ARG  46           HH12     ARG  46   4.875  12.301  -8.816
  367   2HH2  ARG  46           HH11     ARG  46   4.259  13.150 -10.193
  368    H    CYS  47           HN       CYS  47  -1.928   9.993  -3.552
  369    HA   CYS  47           HA       CYS  47  -0.771   7.440  -4.005
  370   1HB   CYS  47           HB2      CYS  47  -3.326   7.813  -2.434
  371   2HB   CYS  47           HB1      CYS  47  -2.095   6.608  -2.183
  372    H    ILE  48           HN       ILE  48  -3.793   8.835  -5.141
  373    HA   ILE  48           HA       ILE  48  -4.911   6.323  -5.874
  374    HB   ILE  48           HB       ILE  48  -6.570   7.512  -6.985
  375   1HG1  ILE  48           HG12     ILE  48  -4.907   8.549  -8.646
  376   2HG1  ILE  48           HG11     ILE  48  -6.321   9.513  -8.248
  377   1HG2  ILE  48           HG23     ILE  48  -6.177   8.305  -4.605
  378   2HG2  ILE  48           HG22     ILE  48  -5.421   9.737  -5.301
  379   3HG2  ILE  48           HG21     ILE  48  -7.117   9.389  -5.630
  380   1HD1  ILE  48           HD11     ILE  48  -3.751   9.829  -6.706
  381   2HD1  ILE  48           HD13     ILE  48  -4.031  10.702  -8.211
  382   3HD1  ILE  48           HD12     ILE  48  -5.103  10.952  -6.834
  383    H    LYS  49           HN       LYS  49  -2.925   8.607  -7.844
  384    HA   LYS  49           HA       LYS  49  -2.909   6.849 -10.130
  385   1HB   LYS  49           HB2      LYS  49  -1.424   9.274  -9.269
  386   2HB   LYS  49           HB1      LYS  49  -0.616   8.246 -10.453
  387   1HG   LYS  49           HG2      LYS  49  -3.500   8.848 -10.913
  388   2HG   LYS  49           HG1      LYS  49  -2.348  10.155 -11.189
  389   1HD   LYS  49           HD2      LYS  49  -1.229   7.808 -12.336
  390   2HD   LYS  49           HD1      LYS  49  -2.910   7.889 -12.863
  391   1HE   LYS  49           HE2      LYS  49  -1.477  10.469 -12.928
  392   2HE   LYS  49           HE1      LYS  49  -0.867   9.259 -14.057
  393   1HZ   LYS  49           HZ2      LYS  49  -3.178   8.928 -14.810
  394   2HZ   LYS  49           HZ1      LYS  49  -3.665  10.220 -13.819
  395   3HZ   LYS  49           HZ3      LYS  49  -2.601  10.498 -15.110
  396    H    ALA  50           HN       ALA  50  -0.234   7.596  -7.863
  397    HA   ALA  50           HA       ALA  50   1.538   5.546  -8.609
  398   1HB   ALA  50           HB1      ALA  50   2.047   7.255  -6.861
  399   2HB   ALA  50           HB3      ALA  50   0.933   6.428  -5.771
  400   3HB   ALA  50           HB2      ALA  50   2.399   5.615  -6.315
  401    H    PHE  51           HN       PHE  51  -0.734   5.469  -5.949
  402    HA   PHE  51           HA       PHE  51  -0.391   2.693  -5.577
  403   1HB   PHE  51           HB2      PHE  51  -1.332   3.141  -3.649
  404   2HB   PHE  51           HB1      PHE  51  -1.422   4.803  -4.113
  405    HD1  PHE  51           HD1      PHE  51  -3.693   4.428  -6.202
  406    HD2  PHE  51           HD2      PHE  51  -3.161   3.055  -2.201
  407    HE1  PHE  51           HE1      PHE  51  -6.140   4.224  -5.945
  408    HE2  PHE  51           HE2      PHE  51  -5.603   2.866  -1.937
  409    HZ   PHE  51           HZ       PHE  51  -7.099   3.446  -3.814
  410    H    THR  52           HN       THR  52  -2.264   4.301  -7.937
  411    HA   THR  52           HA       THR  52  -4.436   2.344  -8.037
  412    HB   THR  52           HB       THR  52  -3.548   4.623  -9.776
  413    HG1  THR  52           HG1      THR  52  -5.981   3.667  -8.690
  414   1HG2  THR  52           HG23     THR  52  -5.069   2.209 -10.743
  415   2HG2  THR  52           HG22     THR  52  -5.389   3.803 -11.426
  416   3HG2  THR  52           HG21     THR  52  -3.778   3.097 -11.551
  417    H    GLU  53           HN       GLU  53  -1.470   2.976  -9.925
  418    HA   GLU  53           HA       GLU  53  -1.767   0.485 -11.423
  419   1HB   GLU  53           HB2      GLU  53   0.928   1.710 -11.025
  420   2HB   GLU  53           HB1      GLU  53   0.190   1.086 -12.497
  421   1HG   GLU  53           HG2      GLU  53  -1.451   3.221 -11.818
  422   2HG   GLU  53           HG1      GLU  53   0.163   3.805 -11.413
  423    H    CYS  54           HN       CYS  54  -0.186   1.491  -8.448
  424    HA   CYS  54           HA       CYS  54   1.260  -0.983  -8.040
  425   1HB   CYS  54           HB2      CYS  54   2.107   0.848  -6.873
  426   2HB   CYS  54           HB1      CYS  54   0.518   1.381  -6.324
  427    H    CYS  55           HN       CYS  55  -1.990   0.115  -7.224
  428    HA   CYS  55           HA       CYS  55  -2.475  -2.159  -5.452
  429   1HB   CYS  55           HB2      CYS  55  -3.780  -0.169  -4.998
  430   2HB   CYS  55           HB1      CYS  55  -4.384  -0.107  -6.651
  431    H    VAL  56           HN       VAL  56  -3.852  -1.157  -8.607
  432    HA   VAL  56           HA       VAL  56  -5.175  -3.504  -9.279
  433    HB   VAL  56           HB       VAL  56  -4.651  -2.951 -11.666
  434   1HG1  VAL  56           HG13     VAL  56  -5.412  -0.660  -9.832
  435   2HG1  VAL  56           HG12     VAL  56  -5.629  -0.636 -11.582
  436   3HG1  VAL  56           HG11     VAL  56  -6.507  -1.809 -10.601
  437   1HG2  VAL  56           HG21     VAL  56  -2.645  -1.214 -10.280
  438   2HG2  VAL  56           HG23     VAL  56  -2.487  -2.130 -11.779
  439   3HG2  VAL  56           HG22     VAL  56  -3.385  -0.611 -11.763
  440    H    VAL  57           HN       VAL  57  -1.693  -2.781  -9.907
  441    HA   VAL  57           HA       VAL  57  -1.085  -5.370 -10.941
  442    HB   VAL  57           HB       VAL  57   0.535  -3.564 -11.112
  443   1HG1  VAL  57           HG11     VAL  57  -0.212  -2.778  -8.683
  444   2HG1  VAL  57           HG13     VAL  57   1.194  -3.727  -8.202
  445   3HG1  VAL  57           HG12     VAL  57   1.379  -2.374  -9.319
  446   1HG2  VAL  57           HG21     VAL  57   1.284  -6.004 -10.865
  447   2HG2  VAL  57           HG23     VAL  57   2.511  -4.779 -10.539
  448   3HG2  VAL  57           HG22     VAL  57   1.704  -5.597  -9.201
  449    H    ALA  58           HN       ALA  58  -0.828  -4.130  -7.582
  450    HA   ALA  58           HA       ALA  58   0.012  -6.515  -6.343
  451   1HB   ALA  58           HB2      ALA  58  -1.742  -4.249  -5.386
  452   2HB   ALA  58           HB1      ALA  58  -1.323  -5.601  -4.335
  453   3HB   ALA  58           HB3      ALA  58  -0.054  -4.565  -4.988
  454    H    SER  59           HN       SER  59  -3.328  -5.425  -5.901
  455    HA   SER  59           HA       SER  59  -4.541  -7.820  -5.289
  456   1HB   SER  59           HB2      SER  59  -6.095  -6.347  -7.298
  457   2HB   SER  59           HB1      SER  59  -6.486  -6.699  -5.617
  458    HG   SER  59           HG       SER  59  -6.005  -4.683  -5.283
  459    H    GLN  60           HN       GLN  60  -4.605  -6.558  -8.603
  460    HA   GLN  60           HA       GLN  60  -5.569  -8.566 -10.084
  461   1HB   GLN  60           HB2      GLN  60  -4.625  -6.620 -11.168
  462   2HB   GLN  60           HB1      GLN  60  -2.994  -7.093 -10.690
  463   1HG   GLN  60           HG2      GLN  60  -2.881  -8.805 -12.244
  464   2HG   GLN  60           HG1      GLN  60  -4.629  -9.042 -12.265
  465   1HE2  GLN  60           HE22     GLN  60  -2.954  -6.636 -15.013
  466   2HE2  GLN  60           HE21     GLN  60  -2.044  -7.638 -13.987
  467    H    LEU  61           HN       LEU  61  -2.062  -8.636  -9.188
  468    HA   LEU  61           HA       LEU  61  -1.840 -11.365 -10.131
  469   1HB   LEU  61           HB2      LEU  61   0.010 -10.393  -8.012
  470   2HB   LEU  61           HB1      LEU  61   0.336 -11.385  -9.419
  471    HG   LEU  61           HG       LEU  61   0.396  -8.483  -9.104
  472   1HD1  LEU  61           HD11     LEU  61   1.736 -10.535 -10.854
  473   2HD1  LEU  61           HD13     LEU  61   2.058  -8.807 -10.993
  474   3HD1  LEU  61           HD12     LEU  61   2.430  -9.656  -9.492
  475   1HD2  LEU  61           HD21     LEU  61  -1.170  -9.756 -11.270
  476   2HD2  LEU  61           HD23     LEU  61  -1.186  -8.080 -10.719
  477   3HD2  LEU  61           HD22     LEU  61   0.065  -8.631 -11.831
  478    H    ARG  62           HN       ARG  62  -1.823 -10.041  -6.814
  479    HA   ARG  62           HA       ARG  62  -1.774 -12.211  -5.233
  480   1HB   ARG  62           HB2      ARG  62  -3.172  -9.685  -5.074
  481   2HB   ARG  62           HB1      ARG  62  -4.141 -10.954  -4.326
  482   1HG   ARG  62           HG2      ARG  62  -2.772 -11.006  -2.542
  483   2HG   ARG  62           HG1      ARG  62  -1.379 -11.300  -3.584
  484   1HD   ARG  62           HD2      ARG  62  -2.090  -8.586  -3.938
  485   2HD   ARG  62           HD1      ARG  62  -2.118  -8.879  -2.201
  486    HE   ARG  62           HE       ARG  62   0.225  -8.567  -3.752
  487   1HH1  ARG  62           HH21     ARG  62  -1.097 -10.798  -1.450
  488   2HH1  ARG  62           HH22     ARG  62   0.435 -11.515  -1.093
  489   1HH2  ARG  62           HH12     ARG  62   2.212  -9.482  -3.259
  490   2HH2  ARG  62           HH11     ARG  62   2.302 -10.769  -2.102
  491    H    ALA  63           HN       ALA  63  -4.547 -11.420  -7.311
  492    HA   ALA  63           HA       ALA  63  -6.227 -13.580  -6.457
  493   1HB   ALA  63           HB3      ALA  63  -6.230 -11.621  -8.551
  494   2HB   ALA  63           HB2      ALA  63  -6.499 -13.202  -9.284
  495   3HB   ALA  63           HB1      ALA  63  -7.572 -12.628  -8.008
  496    H    ASN  64           HN       ASN  64  -4.112 -13.360  -9.334
  497    HA   ASN  64           HA       ASN  64  -3.395 -16.229  -8.923
  498   1HB   ASN  64           HB2      ASN  64  -5.110 -15.402 -10.922
  499   2HB   ASN  64           HB1      ASN  64  -3.547 -15.399 -11.740
  500   1HD2  ASN  64           HD22     ASN  64  -5.193 -18.942 -10.529
  501   2HD2  ASN  64           HD21     ASN  64  -5.872 -17.472 -10.023
  502    H    ILE  65           HN       ILE  65  -1.608 -14.550  -7.972
  503    HA   ILE  65           HA       ILE  65   0.129 -13.166  -9.731
  504    HB   ILE  65           HB       ILE  65   1.610 -14.559  -7.605
  505   1HG1  ILE  65           HG12     ILE  65  -0.892 -12.997  -6.956
  506   2HG1  ILE  65           HG11     ILE  65  -0.471 -14.618  -6.411
  507   1HG2  ILE  65           HG22     ILE  65   1.842 -12.203  -8.980
  508   2HG2  ILE  65           HG21     ILE  65   1.107 -11.641  -7.480
  509   3HG2  ILE  65           HG23     ILE  65   2.632 -12.514  -7.438
  510   1HD1  ILE  65           HD11     ILE  65   1.447 -13.680  -5.148
  511   2HD1  ILE  65           HD13     ILE  65   0.977 -12.059  -5.661
  512   3HD1  ILE  65           HD12     ILE  65  -0.086 -12.994  -4.608
  513    H    SER  66           HN       SER  66   0.427 -14.336 -11.647
  514    HA   SER  66           HA       SER  66   2.491 -16.442 -11.471
  515   1HB   SER  66           HB2      SER  66  -0.221 -16.866 -12.755
  516   2HB   SER  66           HB1      SER  66   1.171 -17.904 -13.049
  517    HG   SER  66           HG       SER  66   0.174 -18.850 -11.370
  518    H    HIS  67           HN       HIS  67   0.428 -14.389 -13.507
  519    HA   HIS  67           HA       HIS  67   2.214 -14.641 -15.812
  520   1HB   HIS  67           HB2      HIS  67  -0.299 -13.144 -15.179
  521   2HB   HIS  67           HB1      HIS  67   0.705 -12.563 -16.508
  522    HD1  HIS  67           HD1      HIS  67  -0.337 -13.437 -18.603
  523    HD2  HIS  67           HD2      HIS  67  -0.232 -16.339 -15.612
  524    HE1  HIS  67           HE1      HIS  67  -1.202 -15.574 -19.649
  525    H    LYS  68           HN       LYS  68   2.498 -12.074 -16.742
  526    HA   LYS  68           HA       LYS  68   4.737 -11.103 -15.244
  527   1HB   LYS  68           HB2      LYS  68   3.637 -10.621 -17.762
  528   2HB   LYS  68           HB1      LYS  68   3.477  -9.077 -16.925
  529   1HG   LYS  68           HG2      LYS  68   5.750  -8.781 -16.736
  530   2HG   LYS  68           HG1      LYS  68   6.072 -10.513 -16.633
  531   1HD   LYS  68           HD2      LYS  68   6.905  -9.843 -18.764
  532   2HD   LYS  68           HD1      LYS  68   5.367 -10.643 -19.091
  533   1HE   LYS  68           HE2      LYS  68   5.030  -8.727 -20.322
  534   2HE   LYS  68           HE1      LYS  68   4.450  -8.147 -18.761
  535   1HZ   LYS  68           HZ2      LYS  68   7.194  -7.816 -18.749
  536   2HZ   LYS  68           HZ1      LYS  68   6.672  -7.264 -20.268
  537   3HZ   LYS  68           HZ3      LYS  68   6.013  -6.600 -18.854
  538    H    ASP  69           HN       ASP  69   4.413  -8.348 -15.062
  539    HA   ASP  69           HA       ASP  69   2.148  -8.032 -13.136
  540   1HB   ASP  69           HB2      ASP  69   3.583  -6.830 -11.612
  541   2HB   ASP  69           HB1      ASP  69   4.382  -8.356 -11.993
  542    H    MET  70           HN       MET  70   2.939  -5.281 -12.554
  543    HA   MET  70           HA       MET  70   2.841  -3.938 -15.188
  544   1HB   MET  70           HB2      MET  70   0.461  -4.534 -14.068
  545   2HB   MET  70           HB1      MET  70   0.790  -3.013 -13.239
  546   1HG   MET  70           HG2      MET  70  -0.374  -2.405 -15.226
  547   2HG   MET  70           HG1      MET  70   1.322  -2.040 -15.547
  548   1HE   MET  70           HE3      MET  70  -0.414  -1.945 -17.634
  549   2HE   MET  70           HE2      MET  70   1.151  -2.258 -18.381
  550   3HE   MET  70           HE1      MET  70  -0.261  -3.179 -18.892
  551    H    CYS  71           HN       CYS  71   2.017  -2.835 -11.887
  552    HA   CYS  71           HA       CYS  71   4.390  -1.025 -12.052
  553   1HB   CYS  71           HB2      CYS  71   1.564  -0.567 -11.187
  554   2HB   CYS  71           HB1      CYS  71   2.834   0.329 -10.347
  555   1H    CYS  72           HN3      CYS  72   3.466   5.058 -11.510
  556   2H    CYS  72           HN2      CYS  72   1.976   4.282 -11.766
  557   3H    CYS  72           HN1      CYS  72   2.052   5.691 -10.819
  558    HA   CYS  72           HA       CYS  72   1.852   3.884  -9.318
  559   1HB   CYS  72           HB2      CYS  72   4.100   2.348  -9.595
  560   2HB   CYS  72           HB1      CYS  72   2.462   1.899 -10.040
  561    H    LEU  73           HN       LEU  73   5.288   3.723  -9.982
  562    HA   LEU  73           HA       LEU  73   6.023   4.570  -7.392
  563   1HB   LEU  73           HB2      LEU  73   8.285   4.603  -8.196
  564   2HB   LEU  73           HB1      LEU  73   7.459   3.302  -9.057
  565    HG   LEU  73           HG       LEU  73   6.935   5.398 -10.712
  566   1HD1  LEU  73           HD11     LEU  73   9.443   5.991  -9.180
  567   2HD1  LEU  73           HD13     LEU  73   9.391   6.381 -10.900
  568   3HD1  LEU  73           HD12     LEU  73   8.219   7.102  -9.796
  569   1HD2  LEU  73           HD21     LEU  73   8.203   3.025 -10.906
  570   2HD2  LEU  73           HD23     LEU  73   8.238   4.223 -12.200
  571   3HD2  LEU  73           HD22     LEU  73   9.591   4.099 -11.076
  572    H    GLY  74           HN       GLY  74   7.141   6.582  -6.769
  573   1HA   GLY  74           HA2      GLY  74   6.060   8.928  -8.271
  574   2HA   GLY  74           HA1      GLY  74   6.457   8.941  -6.552
  575   1HN   DAR  75           HN       ARG  75   7.496  10.670  -8.758
  576    HA   DAR  75           HA       ARG  75  10.133   9.982  -9.514
  577   1HB   DAR  75           HB1      ARG  75  10.594   9.840  -7.100
  578   2HB   DAR  75           HB2      ARG  75   9.984  11.480  -6.880
  579   1HG   DAR  75           HG1      ARG  75  11.765  12.383  -8.261
  580   2HG   DAR  75           HG2      ARG  75  12.314  10.762  -8.683
  581   1HD   DAR  75           HD1      ARG  75  12.274  10.745  -5.894
  582   2HD   DAR  75           HD2      ARG  75  12.876  12.350  -6.300
  583    HNE  DAR  75           HE       ARG  75  14.900  11.322  -6.784
  584   1HH1  DAR  75           HH11     ARG  75  16.213   9.876  -7.884
  585   2HH1  DAR  75           HH12     ARG  75  15.520   8.457  -8.596
  586   1HH2  DAR  75           HH21     ARG  75  12.298   9.166  -7.557
  587   2HH2  DAR  75           HH22     ARG  75  13.314   8.064  -8.419
   
  No H/Q in entry =         587
  Start of MODEL    3
    1   1H    MET   1           HN3      MET   1   7.501 -17.289  -7.059
    2   2H    MET   1           HN2      MET   1   6.156 -18.237  -7.481
    3   3H    MET   1           HN1      MET   1   6.172 -17.388  -6.010
    4    HA   MET   1           HA       MET   1   6.603 -19.674  -5.539
    5   1HB   MET   1           HB2      MET   1   8.453 -20.855  -6.592
    6   2HB   MET   1           HB1      MET   1   7.402 -20.209  -7.853
    7   1HG   MET   1           HG2      MET   1   9.278 -19.286  -8.721
    8   2HG   MET   1           HG1      MET   1   9.167 -18.125  -7.398
    9   1HE   MET   1           HE1      MET   1  11.551 -18.697  -8.951
   10   2HE   MET   1           HE3      MET   1  12.026 -17.810  -7.494
   11   3HE   MET   1           HE2      MET   1  12.913 -19.253  -7.980
   12    H    LEU   2           HN       LEU   2   7.672 -16.754  -5.034
   13    HA   LEU   2           HA       LEU   2   9.873 -17.639  -3.212
   14   1HB   LEU   2           HB2      LEU   2  10.869 -15.374  -3.524
   15   2HB   LEU   2           HB1      LEU   2  10.823 -16.301  -5.024
   16    HG   LEU   2           HG       LEU   2   8.390 -14.724  -4.537
   17   1HD1  LEU   2           HD13     LEU   2  10.548 -13.383  -3.696
   18   2HD1  LEU   2           HD12     LEU   2  10.732 -13.100  -5.427
   19   3HD1  LEU   2           HD11     LEU   2   9.261 -12.588  -4.602
   20   1HD2  LEU   2           HD21     LEU   2  10.307 -15.317  -6.777
   21   2HD2  LEU   2           HD23     LEU   2   8.578 -15.649  -6.680
   22   3HD2  LEU   2           HD22     LEU   2   9.145 -14.001  -6.947
   23    H    GLN   3           HN       GLN   3  10.166 -15.351  -1.725
   24    HA   GLN   3           HA       GLN   3   7.747 -15.410  -0.091
   25   1HB   GLN   3           HB2      GLN   3   8.992 -14.021   1.454
   26   2HB   GLN   3           HB1      GLN   3  10.083 -15.266   0.846
   27   1HG   GLN   3           HG2      GLN   3  10.144 -13.001  -0.931
   28   2HG   GLN   3           HG1      GLN   3  10.437 -12.456   0.721
   29   1HE2  GLN   3           HE22     GLN   3  13.809 -13.407   0.146
   30   2HE2  GLN   3           HE21     GLN   3  12.736 -12.111   0.375
   31    H    LYS   4           HN       LYS   4   8.116 -12.523   0.695
   32    HA   LYS   4           HA       LYS   4   6.023 -11.309  -0.628
   33   1HB   LYS   4           HB2      LYS   4   8.581  -9.953   0.282
   34   2HB   LYS   4           HB1      LYS   4   7.056  -9.130  -0.049
   35   1HG   LYS   4           HG2      LYS   4   6.722  -9.450   2.191
   36   2HG   LYS   4           HG1      LYS   4   6.188 -11.046   1.661
   37   1HD   LYS   4           HD2      LYS   4   7.921 -12.047   2.694
   38   2HD   LYS   4           HD1      LYS   4   9.077 -10.958   1.926
   39   1HE   LYS   4           HE2      LYS   4   9.253  -9.684   3.783
   40   2HE   LYS   4           HE1      LYS   4   7.503  -9.621   3.993
   41   1HZ   LYS   4           HZ3      LYS   4   8.854 -12.145   4.579
   42   2HZ   LYS   4           HZ2      LYS   4   9.054 -10.874   5.688
   43   3HZ   LYS   4           HZ1      LYS   4   7.497 -11.446   5.318
   44    H    LYS   5           HN       LYS   5   5.956  -9.691  -2.375
   45    HA   LYS   5           HA       LYS   5   8.203  -9.858  -4.318
   46   1HB   LYS   5           HB2      LYS   5   5.981 -11.423  -4.649
   47   2HB   LYS   5           HB1      LYS   5   5.514  -9.969  -5.533
   48   1HG   LYS   5           HG2      LYS   5   8.200 -11.293  -5.935
   49   2HG   LYS   5           HG1      LYS   5   6.779 -11.755  -6.871
   50   1HD   LYS   5           HD2      LYS   5   6.621  -9.092  -7.180
   51   2HD   LYS   5           HD1      LYS   5   8.364  -9.233  -6.952
   52   1HE   LYS   5           HE2      LYS   5   8.083  -9.478  -9.284
   53   2HE   LYS   5           HE1      LYS   5   8.238 -11.136  -8.702
   54   1HZ   LYS   5           HZ1      LYS   5   5.654 -10.904  -8.483
   55   2HZ   LYS   5           HZ3      LYS   5   5.867  -9.720  -9.678
   56   3HZ   LYS   5           HZ2      LYS   5   6.371 -11.316  -9.967
   57    H    ILE   6           HN       ILE   6   4.902  -8.471  -4.037
   58    HA   ILE   6           HA       ILE   6   5.714  -6.031  -5.386
   59    HB   ILE   6           HB       ILE   6   3.221  -7.005  -4.024
   60   1HG1  ILE   6           HG12     ILE   6   3.861  -7.401  -6.480
   61   2HG1  ILE   6           HG11     ILE   6   2.264  -6.715  -6.188
   62   1HG2  ILE   6           HG21     ILE   6   3.836  -4.129  -4.751
   63   2HG2  ILE   6           HG23     ILE   6   2.196  -4.743  -4.549
   64   3HG2  ILE   6           HG22     ILE   6   3.314  -4.751  -3.185
   65   1HD1  ILE   6           HD13     ILE   6   4.416  -4.712  -6.452
   66   2HD1  ILE   6           HD12     ILE   6   4.108  -5.648  -7.914
   67   3HD1  ILE   6           HD11     ILE   6   2.802  -4.730  -7.163
   68    H    GLU   7           HN       GLU   7   6.428  -7.165  -2.362
   69    HA   GLU   7           HA       GLU   7   5.930  -5.036  -0.585
   70   1HB   GLU   7           HB2      GLU   7   7.662  -7.353  -0.678
   71   2HB   GLU   7           HB1      GLU   7   8.508  -5.982   0.038
   72   1HG   GLU   7           HG2      GLU   7   7.292  -7.259   1.763
   73   2HG   GLU   7           HG1      GLU   7   6.629  -5.632   1.598
   74    H    GLU   8           HN       GLU   8   9.288  -5.511  -1.616
   75    HA   GLU   8           HA       GLU   8   9.830  -2.692  -1.459
   76   1HB   GLU   8           HB2      GLU   8  12.009  -3.286  -2.522
   77   2HB   GLU   8           HB1      GLU   8  11.621  -4.356  -1.174
   78   1HG   GLU   8           HG2      GLU   8  10.435  -5.695  -3.227
   79   2HG   GLU   8           HG1      GLU   8  11.798  -4.955  -4.068
   80    H    ILE   9           HN       ILE   9   8.754  -4.776  -4.088
   81    HA   ILE   9           HA       ILE   9   9.389  -3.087  -6.283
   82    HB   ILE   9           HB       ILE   9   6.803  -4.631  -5.871
   83   1HG1  ILE   9           HG12     ILE   9   8.956  -5.961  -5.596
   84   2HG1  ILE   9           HG11     ILE   9   7.899  -6.514  -6.895
   85   1HG2  ILE   9           HG21     ILE   9   8.059  -3.177  -8.138
   86   2HG2  ILE   9           HG23     ILE   9   7.332  -4.737  -8.520
   87   3HG2  ILE   9           HG22     ILE   9   6.353  -3.464  -7.790
   88   1HD1  ILE   9           HD12     ILE   9   9.882  -4.435  -7.638
   89   2HD1  ILE   9           HD11     ILE   9  10.538  -6.026  -7.251
   90   3HD1  ILE   9           HD13     ILE   9   9.346  -5.853  -8.539
   91    H    ALA  10           HN       ALA  10   6.993  -2.943  -3.757
   92    HA   ALA  10           HA       ALA  10   5.703  -0.528  -4.849
   93   1HB   ALA  10           HB2      ALA  10   5.281  -2.299  -2.449
   94   2HB   ALA  10           HB1      ALA  10   4.578  -0.682  -2.475
   95   3HB   ALA  10           HB3      ALA  10   4.133  -1.856  -3.713
   96    H    ALA  11           HN       ALA  11   8.155  -1.491  -2.577
   97    HA   ALA  11           HA       ALA  11   8.335   0.824  -0.968
   98   1HB   ALA  11           HB3      ALA  11  10.530  -1.022  -1.905
   99   2HB   ALA  11           HB2      ALA  11  10.712   0.183  -0.630
  100   3HB   ALA  11           HB1      ALA  11   9.599  -1.168  -0.414
  101    H    LYS  12           HN       LYS  12   9.486   0.161  -4.222
  102    HA   LYS  12           HA       LYS  12  11.260   2.417  -4.441
  103   1HB   LYS  12           HB2      LYS  12  10.193   0.337  -6.194
  104   2HB   LYS  12           HB1      LYS  12  10.390   1.885  -7.019
  105   1HG   LYS  12           HG2      LYS  12  12.549   1.172  -7.258
  106   2HG   LYS  12           HG1      LYS  12  12.707   1.798  -5.617
  107   1HD   LYS  12           HD2      LYS  12  13.547  -0.349  -5.333
  108   2HD   LYS  12           HD1      LYS  12  11.845  -0.612  -4.952
  109   1HE   LYS  12           HE2      LYS  12  12.759  -2.310  -6.548
  110   2HE   LYS  12           HE1      LYS  12  11.409  -1.392  -7.217
  111   1HZ   LYS  12           HZ3      LYS  12  13.936  -0.134  -7.682
  112   2HZ   LYS  12           HZ2      LYS  12  13.861  -1.690  -8.358
  113   3HZ   LYS  12           HZ1      LYS  12  12.704  -0.520  -8.780
  114    H    TYR  13           HN       TYR  13   7.959   2.421  -4.078
  115    HA   TYR  13           HA       TYR  13   7.313   4.546  -5.968
  116   1HB   TYR  13           HB2      TYR  13   5.829   3.327  -3.612
  117   2HB   TYR  13           HB1      TYR  13   5.175   4.675  -4.526
  118    HD1  TYR  13           HD1      TYR  13   7.036   1.604  -5.469
  119    HD2  TYR  13           HD2      TYR  13   3.434   3.913  -6.025
  120    HE1  TYR  13           HE1      TYR  13   6.288   0.018  -7.204
  121    HE2  TYR  13           HE2      TYR  13   2.723   2.328  -7.760
  122    HH   TYR  13           HH       TYR  13   3.104   0.020  -8.419
  123    H    LYS  14           HN       LYS  14   8.908   6.072  -5.529
  124    HA   LYS  14           HA       LYS  14  10.271   7.348  -3.898
  125   1HB   LYS  14           HB2      LYS  14   8.239   8.496  -5.518
  126   2HB   LYS  14           HB1      LYS  14   8.290   9.399  -4.003
  127   1HG   LYS  14           HG2      LYS  14   9.881  10.371  -5.587
  128   2HG   LYS  14           HG1      LYS  14  10.759   9.619  -4.255
  129   1HD   LYS  14           HD2      LYS  14  10.925   7.531  -5.706
  130   2HD   LYS  14           HD1      LYS  14  10.338   8.522  -7.043
  131   1HE   LYS  14           HE2      LYS  14  12.877   8.333  -6.833
  132   2HE   LYS  14           HE1      LYS  14  12.233   9.973  -6.926
  133   1HZ   LYS  14           HZ3      LYS  14  12.699   8.631  -4.334
  134   2HZ   LYS  14           HZ2      LYS  14  13.933   9.488  -5.125
  135   3HZ   LYS  14           HZ1      LYS  14  12.514  10.287  -4.646
  136    H    HIS  15           HN       HIS  15  10.406   6.781  -1.775
  137    HA   HIS  15           HA       HIS  15   8.430   6.452   0.138
  138   1HB   HIS  15           HB2      HIS  15  10.122   7.080   1.824
  139   2HB   HIS  15           HB1      HIS  15  10.817   6.043   0.580
  140    HD1  HIS  15           HD1      HIS  15  12.384   8.232   2.336
  141    HD2  HIS  15           HD2      HIS  15  11.160   8.650  -1.626
  142    HE1  HIS  15           HE1      HIS  15  13.882   9.988   1.305
  143    H    SER  16           HN       SER  16   9.498   9.443  -1.297
  144    HA   SER  16           HA       SER  16   8.841  11.397   0.531
  145   1HB   SER  16           HB2      SER  16   8.837  11.198  -2.372
  146   2HB   SER  16           HB1      SER  16   7.595  12.308  -1.796
  147    HG   SER  16           HG       SER  16   9.959  13.005  -2.116
  148    H    VAL  17           HN       VAL  17   6.495   9.709  -1.560
  149    HA   VAL  17           HA       VAL  17   4.458   9.814   0.510
  150    HB   VAL  17           HB       VAL  17   4.569  12.170  -0.588
  151   1HG1  VAL  17           HG12     VAL  17   4.682  11.385  -2.919
  152   2HG1  VAL  17           HG11     VAL  17   3.103  10.620  -2.741
  153   3HG1  VAL  17           HG13     VAL  17   3.247  12.376  -2.658
  154   1HG2  VAL  17           HG22     VAL  17   2.640  10.906   0.746
  155   2HG2  VAL  17           HG21     VAL  17   2.350  12.477  -0.003
  156   3HG2  VAL  17           HG23     VAL  17   1.826  11.002  -0.815
  157    H    VAL  18           HN       VAL  18   5.019   9.554  -2.986
  158    HA   VAL  18           HA       VAL  18   2.874   7.930  -3.748
  159    HB   VAL  18           HB       VAL  18   4.466   8.776  -5.370
  160   1HG1  VAL  18           HG13     VAL  18   6.333   7.294  -3.582
  161   2HG1  VAL  18           HG12     VAL  18   6.757   7.406  -5.287
  162   3HG1  VAL  18           HG11     VAL  18   6.530   8.874  -4.335
  163   1HG2  VAL  18           HG21     VAL  18   3.591   6.085  -5.267
  164   2HG2  VAL  18           HG23     VAL  18   4.085   6.988  -6.700
  165   3HG2  VAL  18           HG22     VAL  18   5.268   6.031  -5.810
  166    H    LYS  19           HN       LYS  19   5.539   7.141  -1.668
  167    HA   LYS  19           HA       LYS  19   5.492   4.283  -2.048
  168   1HB   LYS  19           HB2      LYS  19   7.444   4.940  -0.998
  169   2HB   LYS  19           HB1      LYS  19   6.635   6.189  -0.061
  170   1HG   LYS  19           HG2      LYS  19   6.258   4.772   1.681
  171   2HG   LYS  19           HG1      LYS  19   5.755   3.461   0.615
  172   1HD   LYS  19           HD2      LYS  19   7.803   2.513   0.627
  173   2HD   LYS  19           HD1      LYS  19   8.614   4.063   0.403
  174   1HE   LYS  19           HE2      LYS  19   8.388   4.572   2.777
  175   2HE   LYS  19           HE1      LYS  19   7.452   3.099   3.031
  176   1HZ   LYS  19           HZ3      LYS  19   9.578   2.042   1.928
  177   2HZ   LYS  19           HZ2      LYS  19  10.320   3.429   2.574
  178   3HZ   LYS  19           HZ1      LYS  19   9.500   2.345   3.595
  179    H    LYS  20           HN       LYS  20   4.694   5.743   1.090
  180    HA   LYS  20           HA       LYS  20   2.986   3.795   2.029
  181   1HB   LYS  20           HB2      LYS  20   3.297   6.673   2.521
  182   2HB   LYS  20           HB1      LYS  20   1.667   6.088   2.858
  183   1HG   LYS  20           HG2      LYS  20   2.349   4.803   4.618
  184   2HG   LYS  20           HG1      LYS  20   3.868   4.362   3.836
  185   1HD   LYS  20           HD2      LYS  20   3.757   7.209   4.456
  186   2HD   LYS  20           HD1      LYS  20   3.565   6.214   5.899
  187   1HE   LYS  20           HE2      LYS  20   5.638   5.148   4.165
  188   2HE   LYS  20           HE1      LYS  20   5.976   6.822   4.608
  189   1HZ   LYS  20           HZ1      LYS  20   5.021   5.451   6.865
  190   2HZ   LYS  20           HZ3      LYS  20   6.275   4.539   6.178
  191   3HZ   LYS  20           HZ2      LYS  20   6.548   6.156   6.622
  192    H    CYS  21           HN       CYS  21   2.353   6.078  -0.501
  193    HA   CYS  21           HA       CYS  21  -0.523   5.876  -0.674
  194   1HB   CYS  21           HB2      CYS  21   1.636   6.404  -2.714
  195   2HB   CYS  21           HB1      CYS  21  -0.084   6.516  -3.008
  196    H    CYS  22           HN       CYS  22   2.060   4.311  -2.602
  197    HA   CYS  22           HA       CYS  22   0.341   2.584  -4.007
  198   1HB   CYS  22           HB2      CYS  22   2.288   2.536  -5.037
  199   2HB   CYS  22           HB1      CYS  22   3.223   2.833  -3.580
  200    H    TYR  23           HN       TYR  23   2.160   2.160  -0.997
  201    HA   TYR  23           HA       TYR  23   1.292  -0.506  -0.452
  202   1HB   TYR  23           HB2      TYR  23   2.121   1.755   1.389
  203   2HB   TYR  23           HB1      TYR  23   1.729   0.137   1.972
  204    HD1  TYR  23           HD2      TYR  23   3.926   1.990  -0.370
  205    HD2  TYR  23           HD1      TYR  23   3.335  -1.611   1.869
  206    HE1  TYR  23           HE2      TYR  23   6.221   1.271  -0.947
  207    HE2  TYR  23           HE1      TYR  23   5.633  -2.350   1.287
  208    HH   TYR  23           HH       TYR  23   7.444  -1.919   0.061
  209    H    ASP  24           HN       ASP  24  -0.131   2.656  -0.151
  210    HA   ASP  24           HA       ASP  24  -2.290   2.054   1.614
  211   1HB   ASP  24           HB2      ASP  24  -1.550   4.257  -0.194
  212   2HB   ASP  24           HB1      ASP  24  -3.289   3.924  -0.217
  213    H    GLY  25           HN       GLY  25  -2.025   1.942  -1.907
  214   1HA   GLY  25           HA2      GLY  25  -4.677   1.037  -2.435
  215   2HA   GLY  25           HA1      GLY  25  -3.292   0.822  -3.502
  216    H    ALA  26           HN       ALA  26  -1.614  -0.832  -2.212
  217    HA   ALA  26           HA       ALA  26  -3.102  -3.353  -2.264
  218   1HB   ALA  26           HB2      ALA  26  -0.770  -2.958  -3.228
  219   2HB   ALA  26           HB1      ALA  26  -0.186  -3.008  -1.564
  220   3HB   ALA  26           HB3      ALA  26  -0.978  -4.419  -2.264
  221    H    SER  27           HN       SER  27  -2.671  -1.165   0.227
  222    HA   SER  27           HA       SER  27  -2.294  -3.272   2.269
  223   1HB   SER  27           HB2      SER  27  -2.211  -0.301   2.388
  224   2HB   SER  27           HB1      SER  27  -2.247  -1.279   3.833
  225    HG   SER  27           HG       SER  27  -0.161  -1.346   3.525
  226    H    VAL  28           HN       VAL  28  -4.484  -0.500   1.724
  227    HA   VAL  28           HA       VAL  28  -6.330  -1.311   3.750
  228    HB   VAL  28           HB       VAL  28  -7.379   0.097   1.328
  229   1HG1  VAL  28           HG13     VAL  28  -7.664   0.231   4.327
  230   2HG1  VAL  28           HG12     VAL  28  -8.207   1.568   3.313
  231   3HG1  VAL  28           HG11     VAL  28  -8.914  -0.032   3.113
  232   1HG2  VAL  28           HG21     VAL  28  -4.979   0.893   2.823
  233   2HG2  VAL  28           HG23     VAL  28  -5.621   1.535   1.310
  234   3HG2  VAL  28           HG22     VAL  28  -6.245   2.120   2.852
  235    H    ASN  29           HN       ASN  29  -8.744  -1.851   3.022
  236    HA   ASN  29           HA       ASN  29  -9.025  -4.469   2.363
  237   1HB   ASN  29           HB2      ASN  29 -10.758  -2.229   2.373
  238   2HB   ASN  29           HB1      ASN  29 -11.060  -3.087   0.866
  239   1HD2  ASN  29           HD22     ASN  29 -11.991  -4.869   4.433
  240   2HD2  ASN  29           HD21     ASN  29 -11.049  -3.457   4.411
  241    H    ASN  30           HN       ASN  30  -9.475  -5.670   0.400
  242    HA   ASN  30           HA       ASN  30  -7.637  -5.446  -1.650
  243   1HB   ASN  30           HB2      ASN  30 -10.467  -6.504  -1.697
  244   2HB   ASN  30           HB1      ASN  30  -9.401  -6.628  -3.097
  245   1HD2  ASN  30           HD22     ASN  30  -9.077  -9.479  -0.426
  246   2HD2  ASN  30           HD21     ASN  30 -10.472  -8.581  -0.784
  247    H    ASP  31           HN       ASP  31 -10.514  -3.502  -1.194
  248    HA   ASP  31           HA       ASP  31  -9.664  -1.871  -3.513
  249   1HB   ASP  31           HB2      ASP  31 -12.023  -1.778  -4.356
  250   2HB   ASP  31           HB1      ASP  31 -11.288  -3.376  -4.506
  251    H    GLU  32           HN       GLU  32 -10.310  -1.823  -0.339
  252    HA   GLU  32           HA       GLU  32 -12.274   0.144   0.082
  253   1HB   GLU  32           HB2      GLU  32 -11.423  -0.648   2.081
  254   2HB   GLU  32           HB1      GLU  32  -9.748  -0.558   1.536
  255   1HG   GLU  32           HG2      GLU  32  -9.576   1.698   2.042
  256   2HG   GLU  32           HG1      GLU  32 -11.295   1.993   1.783
  257    H    THR  33           HN       THR  33  -8.791   0.948   0.105
  258    HA   THR  33           HA       THR  33  -9.352   3.665  -0.768
  259    HB   THR  33           HB       THR  33  -6.897   3.906  -0.729
  260    HG1  THR  33           HG1      THR  33  -6.952   1.130  -0.173
  261   1HG2  THR  33           HG22     THR  33  -8.260   3.989   1.381
  262   2HG2  THR  33           HG21     THR  33  -7.849   2.294   1.641
  263   3HG2  THR  33           HG23     THR  33  -6.579   3.516   1.632
  264    H    CYS  34           HN       CYS  34  -7.763   0.815  -2.222
  265    HA   CYS  34           HA       CYS  34  -6.902   1.634  -4.685
  266   1HB   CYS  34           HB2      CYS  34  -7.383  -0.770  -3.707
  267   2HB   CYS  34           HB1      CYS  34  -8.870  -0.631  -4.643
  268    H    GLU  35           HN       GLU  35 -10.258   1.548  -3.617
  269    HA   GLU  35           HA       GLU  35 -11.253   2.227  -6.314
  270   1HB   GLU  35           HB2      GLU  35 -12.481   0.632  -4.836
  271   2HB   GLU  35           HB1      GLU  35 -12.800   1.965  -3.725
  272   1HG   GLU  35           HG2      GLU  35 -14.154   3.105  -5.293
  273   2HG   GLU  35           HG1      GLU  35 -13.536   2.155  -6.645
  274    H    GLN  36           HN       GLN  36 -12.008   3.695  -3.121
  275    HA   GLN  36           HA       GLN  36 -12.966   6.124  -4.074
  276   1HB   GLN  36           HB2      GLN  36 -11.869   7.091  -1.903
  277   2HB   GLN  36           HB1      GLN  36 -13.124   5.862  -1.750
  278   1HG   GLN  36           HG2      GLN  36 -11.650   4.238  -1.071
  279   2HG   GLN  36           HG1      GLN  36 -10.325   4.890  -2.037
  280   1HE2  GLN  36           HE22     GLN  36  -9.695   7.505   0.513
  281   2HE2  GLN  36           HE21     GLN  36 -10.004   7.459  -1.156
  282    H    ARG  37           HN       ARG  37  -9.706   4.989  -4.141
  283    HA   ARG  37           HA       ARG  37  -8.706   7.680  -4.839
  284   1HB   ARG  37           HB2      ARG  37  -7.581   5.337  -3.531
  285   2HB   ARG  37           HB1      ARG  37  -6.539   5.934  -4.823
  286   1HG   ARG  37           HG2      ARG  37  -6.318   8.054  -3.831
  287   2HG   ARG  37           HG1      ARG  37  -7.755   7.832  -2.836
  288   1HD   ARG  37           HD2      ARG  37  -6.639   6.238  -1.427
  289   2HD   ARG  37           HD1      ARG  37  -5.244   6.179  -2.507
  290    HE   ARG  37           HE       ARG  37  -5.370   8.839  -1.797
  291   1HH1  ARG  37           HH21     ARG  37  -5.378   5.835  -0.093
  292   2HH1  ARG  37           HH22     ARG  37  -4.566   6.475   1.296
  293   1HH2  ARG  37           HH12     ARG  37  -4.309   9.681   0.005
  294   2HH2  ARG  37           HH11     ARG  37  -3.959   8.649   1.351
  295    H    ALA  38           HN       ALA  38  -8.735   4.329  -6.167
  296    HA   ALA  38           HA       ALA  38  -7.532   5.323  -8.663
  297   1HB   ALA  38           HB2      ALA  38  -7.339   2.932  -7.563
  298   2HB   ALA  38           HB1      ALA  38  -8.835   2.631  -8.447
  299   3HB   ALA  38           HB3      ALA  38  -7.375   3.099  -9.318
  300    H    ALA  39           HN       ALA  39 -10.694   3.989  -7.703
  301    HA   ALA  39           HA       ALA  39 -11.929   4.373 -10.262
  302   1HB   ALA  39           HB2      ALA  39 -12.777   2.921  -8.346
  303   2HB   ALA  39           HB1      ALA  39 -13.353   4.407  -7.593
  304   3HB   ALA  39           HB3      ALA  39 -13.998   3.902  -9.155
  305    H    ARG  40           HN       ARG  40 -12.505   6.246  -7.253
  306    HA   ARG  40           HA       ARG  40 -13.495   8.491  -8.891
  307   1HB   ARG  40           HB2      ARG  40 -14.483   7.651  -6.633
  308   2HB   ARG  40           HB1      ARG  40 -13.157   8.553  -5.900
  309   1HG   ARG  40           HG2      ARG  40 -14.148  10.344  -7.757
  310   2HG   ARG  40           HG1      ARG  40 -15.608   9.546  -7.171
  311   1HD   ARG  40           HD2      ARG  40 -13.533  10.480  -5.207
  312   2HD   ARG  40           HD1      ARG  40 -14.685  11.634  -5.880
  313    HE   ARG  40           HE       ARG  40 -16.277   9.533  -5.026
  314   1HH1  ARG  40           HH21     ARG  40 -13.829  11.539  -3.641
  315   2HH1  ARG  40           HH22     ARG  40 -14.491  11.465  -2.043
  316   1HH2  ARG  40           HH12     ARG  40 -17.150   9.432  -2.946
  317   2HH2  ARG  40           HH11     ARG  40 -16.370  10.275  -1.650
  318    H    ILE  41           HN       ILE  41 -12.207  10.147  -9.508
  319    HA   ILE  41           HA       ILE  41  -9.954  10.974  -7.783
  320    HB   ILE  41           HB       ILE  41  -9.655   9.726 -10.497
  321   1HG1  ILE  41           HG12     ILE  41  -7.735   9.819  -8.168
  322   2HG1  ILE  41           HG11     ILE  41  -9.087   8.683  -8.214
  323   1HG2  ILE  41           HG21     ILE  41  -8.135  12.105  -9.456
  324   2HG2  ILE  41           HG23     ILE  41  -7.295  10.888 -10.418
  325   3HG2  ILE  41           HG22     ILE  41  -8.667  11.760 -11.102
  326   1HD1  ILE  41           HD11     ILE  41  -8.213   8.028 -10.555
  327   2HD1  ILE  41           HD13     ILE  41  -6.730   8.862 -10.089
  328   3HD1  ILE  41           HD12     ILE  41  -7.288   7.470  -9.161
  329    H    SER  42           HN       SER  42 -11.235  12.912  -7.547
  330    HA   SER  42           HA       SER  42 -11.779  14.486 -10.000
  331   1HB   SER  42           HB2      SER  42 -12.269  15.405  -7.166
  332   2HB   SER  42           HB1      SER  42 -13.101  15.899  -8.637
  333    HG   SER  42           HG       SER  42 -14.000  14.176  -7.046
  334    H    LEU  43           HN       LEU  43  -9.045  13.870  -8.994
  335    HA   LEU  43           HA       LEU  43  -7.775  16.376  -9.459
  336   1HB   LEU  43           HB2      LEU  43  -8.831  16.608  -7.064
  337   2HB   LEU  43           HB1      LEU  43  -7.518  15.545  -6.571
  338    HG   LEU  43           HG       LEU  43  -7.411  18.371  -7.545
  339   1HD1  LEU  43           HD12     LEU  43  -7.152  17.535  -5.132
  340   2HD1  LEU  43           HD11     LEU  43  -5.598  16.875  -5.641
  341   3HD1  LEU  43           HD13     LEU  43  -5.889  18.612  -5.728
  342   1HD2  LEU  43           HD21     LEU  43  -6.060  17.084  -9.211
  343   2HD2  LEU  43           HD23     LEU  43  -5.064  18.140  -8.210
  344   3HD2  LEU  43           HD22     LEU  43  -5.117  16.408  -7.884
  345    H    GLY  44           HN       GLY  44  -7.678  13.244  -7.849
  346   1HA   GLY  44           HA2      GLY  44  -6.053  11.586  -7.785
  347   2HA   GLY  44           HA1      GLY  44  -5.500  12.194  -9.337
  348    HA   PRO  45           HA       PRO  45  -3.348  14.883  -5.692
  349   1HB   PRO  45           HB2      PRO  45  -3.152  12.753  -3.724
  350   2HB   PRO  45           HB1      PRO  45  -3.774  14.396  -3.531
  351   1HG   PRO  45           HG2      PRO  45  -5.267  11.971  -3.680
  352   2HG   PRO  45           HG1      PRO  45  -5.884  13.620  -3.536
  353   1HD   PRO  45           HD2      PRO  45  -6.142  11.906  -5.767
  354   2HD   PRO  45           HD1      PRO  45  -6.551  13.625  -5.692
  355    H    ARG  46           HN       ARG  46  -2.803  11.338  -5.413
  356    HA   ARG  46           HA       ARG  46  -0.572  11.260  -7.176
  357   1HB   ARG  46           HB2      ARG  46   0.243  12.771  -5.199
  358   2HB   ARG  46           HB1      ARG  46   0.382  11.245  -4.324
  359   1HG   ARG  46           HG2      ARG  46   2.072  10.450  -5.698
  360   2HG   ARG  46           HG1      ARG  46   1.551  11.421  -7.075
  361   1HD   ARG  46           HD2      ARG  46   2.237  13.249  -5.026
  362   2HD   ARG  46           HD1      ARG  46   3.530  12.050  -5.077
  363    HE   ARG  46           HE       ARG  46   3.127  12.685  -7.739
  364   1HH1  ARG  46           HH21     ARG  46   3.706  14.440  -4.820
  365   2HH1  ARG  46           HH22     ARG  46   4.558  15.723  -5.610
  366   1HH2  ARG  46           HH12     ARG  46   4.236  14.354  -8.777
  367   2HH2  ARG  46           HH11     ARG  46   4.858  15.675  -7.846
  368    H    CYS  47           HN       CYS  47  -1.531  10.001  -3.960
  369    HA   CYS  47           HA       CYS  47  -0.518   7.394  -4.352
  370   1HB   CYS  47           HB2      CYS  47  -3.075   7.845  -2.811
  371   2HB   CYS  47           HB1      CYS  47  -1.808   6.700  -2.471
  372    H    ILE  48           HN       ILE  48  -3.253   8.937  -5.796
  373    HA   ILE  48           HA       ILE  48  -4.658   6.489  -6.320
  374    HB   ILE  48           HB       ILE  48  -5.746   7.911  -8.179
  375   1HG1  ILE  48           HG12     ILE  48  -5.017  10.429  -7.076
  376   2HG1  ILE  48           HG11     ILE  48  -3.536   9.616  -7.521
  377   1HG2  ILE  48           HG23     ILE  48  -6.520   7.615  -5.752
  378   2HG2  ILE  48           HG22     ILE  48  -5.823   9.206  -5.456
  379   3HG2  ILE  48           HG21     ILE  48  -7.140   9.019  -6.614
  380   1HD1  ILE  48           HD12     ILE  48  -4.750   9.045  -9.741
  381   2HD1  ILE  48           HD11     ILE  48  -5.868  10.329  -9.279
  382   3HD1  ILE  48           HD13     ILE  48  -4.158  10.691  -9.516
  383    H    LYS  49           HN       LYS  49  -2.857   8.516  -8.730
  384    HA   LYS  49           HA       LYS  49  -2.722   6.462 -10.668
  385   1HB   LYS  49           HB2      LYS  49  -1.523   9.055 -10.250
  386   2HB   LYS  49           HB1      LYS  49  -0.306   7.926 -10.847
  387   1HG   LYS  49           HG2      LYS  49  -1.639   7.373 -12.767
  388   2HG   LYS  49           HG1      LYS  49  -3.038   8.230 -12.117
  389   1HD   LYS  49           HD2      LYS  49  -1.791   9.520 -13.883
  390   2HD   LYS  49           HD1      LYS  49  -1.915  10.362 -12.339
  391   1HE   LYS  49           HE2      LYS  49   0.377  10.515 -13.227
  392   2HE   LYS  49           HE1      LYS  49   0.350   9.578 -11.733
  393   1HZ   LYS  49           HZ2      LYS  49   0.014   8.151 -14.267
  394   2HZ   LYS  49           HZ1      LYS  49   1.569   8.705 -13.868
  395   3HZ   LYS  49           HZ3      LYS  49   0.758   7.642 -12.826
  396    H    ALA  50           HN       ALA  50  -0.192   7.414  -8.298
  397    HA   ALA  50           HA       ALA  50   1.649   5.343  -8.825
  398   1HB   ALA  50           HB2      ALA  50   0.889   6.679  -6.221
  399   2HB   ALA  50           HB1      ALA  50   2.194   5.499  -6.336
  400   3HB   ALA  50           HB3      ALA  50   2.296   7.014  -7.233
  401    H    PHE  51           HN       PHE  51  -0.658   5.380  -6.174
  402    HA   PHE  51           HA       PHE  51  -0.304   2.614  -5.707
  403   1HB   PHE  51           HB2      PHE  51  -1.325   3.098  -3.815
  404   2HB   PHE  51           HB1      PHE  51  -1.311   4.753  -4.303
  405    HD1  PHE  51           HD1      PHE  51  -3.601   4.240  -6.491
  406    HD2  PHE  51           HD2      PHE  51  -3.162   3.355  -2.335
  407    HE1  PHE  51           HE1      PHE  51  -6.051   4.159  -6.249
  408    HE2  PHE  51           HE2      PHE  51  -5.616   3.295  -2.084
  409    HZ   PHE  51           HZ       PHE  51  -7.061   3.688  -4.054
  410    H    THR  52           HN       THR  52  -1.914   4.045  -8.215
  411    HA   THR  52           HA       THR  52  -4.219   2.224  -8.298
  412    HB   THR  52           HB       THR  52  -3.177   4.424 -10.071
  413    HG1  THR  52           HG1      THR  52  -5.599   3.738  -8.791
  414   1HG2  THR  52           HG21     THR  52  -4.763   2.052 -10.930
  415   2HG2  THR  52           HG23     THR  52  -5.308   3.628 -11.505
  416   3HG2  THR  52           HG22     THR  52  -3.673   3.075 -11.866
  417    H    GLU  53           HN       GLU  53  -1.133   2.695 -10.006
  418    HA   GLU  53           HA       GLU  53  -1.503   0.207 -11.521
  419   1HB   GLU  53           HB2      GLU  53   1.195   1.450 -11.053
  420   2HB   GLU  53           HB1      GLU  53   0.558   0.689 -12.512
  421   1HG   GLU  53           HG2      GLU  53  -1.143   2.874 -12.015
  422   2HG   GLU  53           HG1      GLU  53   0.488   3.481 -11.736
  423    H    CYS  54           HN       CYS  54   0.008   1.274  -8.544
  424    HA   CYS  54           HA       CYS  54   1.400  -1.197  -7.973
  425   1HB   CYS  54           HB2      CYS  54   2.195   0.707  -6.861
  426   2HB   CYS  54           HB1      CYS  54   0.583   1.223  -6.363
  427    H    CYS  55           HN       CYS  55  -1.806   0.074  -7.129
  428    HA   CYS  55           HA       CYS  55  -2.434  -2.197  -5.418
  429   1HB   CYS  55           HB2      CYS  55  -3.626  -0.132  -4.982
  430   2HB   CYS  55           HB1      CYS  55  -4.219  -0.047  -6.635
  431    H    VAL  56           HN       VAL  56  -3.644  -1.121  -8.604
  432    HA   VAL  56           HA       VAL  56  -5.163  -3.344  -9.298
  433    HB   VAL  56           HB       VAL  56  -4.705  -2.799 -11.640
  434   1HG1  VAL  56           HG12     VAL  56  -5.286  -0.755  -9.600
  435   2HG1  VAL  56           HG11     VAL  56  -4.759  -0.095 -11.149
  436   3HG1  VAL  56           HG13     VAL  56  -6.166  -1.156 -11.076
  437   1HG2  VAL  56           HG23     VAL  56  -2.353  -1.346 -10.425
  438   2HG2  VAL  56           HG22     VAL  56  -2.356  -2.519 -11.742
  439   3HG2  VAL  56           HG21     VAL  56  -2.988  -0.893 -12.007
  440    H    VAL  57           HN       VAL  57  -1.614  -2.952  -9.816
  441    HA   VAL  57           HA       VAL  57  -1.262  -5.593 -10.876
  442    HB   VAL  57           HB       VAL  57   0.520  -3.958 -11.096
  443   1HG1  VAL  57           HG13     VAL  57  -0.140  -3.055  -8.674
  444   2HG1  VAL  57           HG12     VAL  57   1.188  -4.108  -8.188
  445   3HG1  VAL  57           HG11     VAL  57   1.471  -2.803  -9.340
  446   1HG2  VAL  57           HG21     VAL  57   0.893  -6.565  -9.851
  447   2HG2  VAL  57           HG23     VAL  57   1.834  -5.798 -11.131
  448   3HG2  VAL  57           HG22     VAL  57   2.208  -5.463  -9.441
  449    H    ALA  58           HN       ALA  58  -0.862  -4.345  -7.541
  450    HA   ALA  58           HA       ALA  58  -0.182  -6.730  -6.248
  451   1HB   ALA  58           HB3      ALA  58  -2.068  -4.570  -5.257
  452   2HB   ALA  58           HB2      ALA  58  -1.284  -5.779  -4.240
  453   3HB   ALA  58           HB1      ALA  58  -0.314  -4.568  -5.077
  454    H    SER  59           HN       SER  59  -3.506  -5.519  -6.006
  455    HA   SER  59           HA       SER  59  -4.841  -7.832  -5.347
  456   1HB   SER  59           HB2      SER  59  -6.184  -6.404  -7.542
  457   2HB   SER  59           HB1      SER  59  -6.730  -6.693  -5.895
  458    HG   SER  59           HG       SER  59  -5.450  -4.984  -5.207
  459    H    GLN  60           HN       GLN  60  -4.571  -6.755  -8.714
  460    HA   GLN  60           HA       GLN  60  -5.532  -8.794 -10.163
  461   1HB   GLN  60           HB2      GLN  60  -4.233  -6.816 -11.060
  462   2HB   GLN  60           HB1      GLN  60  -2.760  -7.738 -10.755
  463   1HG   GLN  60           HG2      GLN  60  -3.046  -8.910 -12.654
  464   2HG   GLN  60           HG1      GLN  60  -4.667  -9.391 -12.151
  465   1HE2  GLN  60           HE22     GLN  60  -4.358  -6.793 -15.133
  466   2HE2  GLN  60           HE21     GLN  60  -3.125  -7.848 -14.635
  467    H    LEU  61           HN       LEU  61  -2.138  -8.971  -8.927
  468    HA   LEU  61           HA       LEU  61  -1.944 -11.754  -9.709
  469   1HB   LEU  61           HB2      LEU  61  -0.315 -10.753  -7.430
  470   2HB   LEU  61           HB1      LEU  61   0.134 -11.823  -8.745
  471    HG   LEU  61           HG       LEU  61   0.225  -8.897  -8.565
  472   1HD1  LEU  61           HD11     LEU  61   1.819 -11.159  -9.649
  473   2HD1  LEU  61           HD13     LEU  61   2.052  -9.573 -10.385
  474   3HD1  LEU  61           HD12     LEU  61   2.333  -9.795  -8.658
  475   1HD2  LEU  61           HD23     LEU  61  -1.014 -10.302 -10.857
  476   2HD2  LEU  61           HD22     LEU  61  -1.100  -8.596 -10.418
  477   3HD2  LEU  61           HD21     LEU  61   0.299  -9.212 -11.296
  478    H    ARG  62           HN       ARG  62  -2.344 -10.214  -6.512
  479    HA   ARG  62           HA       ARG  62  -2.560 -12.294  -4.810
  480   1HB   ARG  62           HB2      ARG  62  -4.210  -9.828  -5.096
  481   2HB   ARG  62           HB1      ARG  62  -4.832 -11.074  -4.012
  482   1HG   ARG  62           HG2      ARG  62  -2.260 -11.063  -3.214
  483   2HG   ARG  62           HG1      ARG  62  -2.390  -9.391  -3.760
  484   1HD   ARG  62           HD2      ARG  62  -3.610  -8.830  -1.958
  485   2HD   ARG  62           HD1      ARG  62  -4.740 -10.152  -2.239
  486    HE   ARG  62           HE       ARG  62  -2.800 -10.087  -0.182
  487   1HH1  ARG  62           HH21     ARG  62  -3.839 -12.210  -2.717
  488   2HH1  ARG  62           HH22     ARG  62  -3.088 -13.601  -2.017
  489   1HH2  ARG  62           HH12     ARG  62  -1.850 -11.901   0.732
  490   2HH2  ARG  62           HH11     ARG  62  -1.976 -13.431  -0.070
  491    H    ALA  63           HN       ALA  63  -5.006 -11.535  -7.274
  492    HA   ALA  63           HA       ALA  63  -6.865 -13.591  -6.557
  493   1HB   ALA  63           HB1      ALA  63  -6.369 -11.861  -8.860
  494   2HB   ALA  63           HB3      ALA  63  -6.879 -13.474  -9.356
  495   3HB   ALA  63           HB2      ALA  63  -7.896 -12.522  -8.275
  496    H    ASN  64           HN       ASN  64  -4.335 -13.616  -9.088
  497    HA   ASN  64           HA       ASN  64  -3.806 -16.475  -8.410
  498   1HB   ASN  64           HB2      ASN  64  -5.179 -15.709 -10.693
  499   2HB   ASN  64           HB1      ASN  64  -3.517 -15.863 -11.264
  500   1HD2  ASN  64           HD22     ASN  64  -3.507 -19.384 -11.057
  501   2HD2  ASN  64           HD21     ASN  64  -2.664 -17.976 -11.491
  502    H    ILE  65           HN       ILE  65  -2.079 -14.843  -7.315
  503    HA   ILE  65           HA       ILE  65  -0.053 -13.649  -8.928
  504    HB   ILE  65           HB       ILE  65   1.055 -14.873  -6.500
  505   1HG1  ILE  65           HG12     ILE  65  -1.447 -13.188  -6.321
  506   2HG1  ILE  65           HG11     ILE  65  -1.194 -14.790  -5.636
  507   1HG2  ILE  65           HG23     ILE  65   1.515 -12.630  -8.019
  508   2HG2  ILE  65           HG22     ILE  65   0.629 -11.954  -6.654
  509   3HG2  ILE  65           HG21     ILE  65   2.112 -12.850  -6.377
  510   1HD1  ILE  65           HD13     ILE  65   0.907 -13.239  -4.619
  511   2HD1  ILE  65           HD12     ILE  65  -0.510 -12.194  -4.525
  512   3HD1  ILE  65           HD11     ILE  65  -0.525 -13.772  -3.738
  513    H    SER  66           HN       SER  66   0.411 -15.061 -10.669
  514    HA   SER  66           HA       SER  66   2.119 -17.387  -9.898
  515   1HB   SER  66           HB2      SER  66  -0.266 -17.924 -10.818
  516   2HB   SER  66           HB1      SER  66   0.402 -17.436 -12.371
  517    HG   SER  66           HG       SER  66   0.652 -19.757 -11.174
  518    H    HIS  67           HN       HIS  67   1.167 -15.849 -12.984
  519    HA   HIS  67           HA       HIS  67   4.014 -15.062 -13.372
  520   1HB   HIS  67           HB2      HIS  67   2.722 -17.206 -14.716
  521   2HB   HIS  67           HB1      HIS  67   2.886 -15.893 -15.883
  522    HD1  HIS  67           HD1      HIS  67   4.835 -16.971 -17.182
  523    HD2  HIS  67           HD2      HIS  67   5.641 -16.465 -13.123
  524    HE1  HIS  67           HE1      HIS  67   7.312 -17.405 -16.883
  525    H    LYS  68           HN       LYS  68   3.352 -12.875 -13.027
  526    HA   LYS  68           HA       LYS  68   2.551 -11.439 -15.352
  527   1HB   LYS  68           HB2      LYS  68   0.361 -12.645 -14.292
  528   2HB   LYS  68           HB1      LYS  68   0.354 -11.134 -13.381
  529   1HG   LYS  68           HG2      LYS  68   0.541  -9.885 -15.541
  530   2HG   LYS  68           HG1      LYS  68   0.396 -11.420 -16.400
  531   1HD   LYS  68           HD2      LYS  68  -1.664 -10.491 -14.390
  532   2HD   LYS  68           HD1      LYS  68  -1.773 -10.097 -16.106
  533   1HE   LYS  68           HE2      LYS  68  -2.440 -12.189 -16.653
  534   2HE   LYS  68           HE1      LYS  68  -1.222 -12.934 -15.620
  535   1HZ   LYS  68           HZ2      LYS  68  -2.944 -11.830 -13.849
  536   2HZ   LYS  68           HZ1      LYS  68  -3.985 -12.372 -15.077
  537   3HZ   LYS  68           HZ3      LYS  68  -2.933 -13.463 -14.316
  538    H    ASP  69           HN       ASP  69   2.215  -9.080 -14.825
  539    HA   ASP  69           HA       ASP  69   2.704  -8.116 -12.145
  540   1HB   ASP  69           HB2      ASP  69   5.011  -8.688 -13.894
  541   2HB   ASP  69           HB1      ASP  69   5.000  -7.060 -13.214
  542    H    MET  70           HN       MET  70   3.309  -5.649 -12.311
  543    HA   MET  70           HA       MET  70   2.542  -4.378 -14.839
  544   1HB   MET  70           HB2      MET  70   0.523  -5.005 -12.957
  545   2HB   MET  70           HB1      MET  70   0.804  -3.269 -12.822
  546   1HG   MET  70           HG2      MET  70  -0.307  -2.926 -14.746
  547   2HG   MET  70           HG1      MET  70   0.831  -3.970 -15.598
  548   1HE   MET  70           HE1      MET  70  -2.349  -3.119 -15.211
  549   2HE   MET  70           HE3      MET  70  -3.428  -4.521 -15.203
  550   3HE   MET  70           HE2      MET  70  -2.756  -3.913 -13.692
  551    H    CYS  71           HN       CYS  71   2.161  -3.212 -11.496
  552    HA   CYS  71           HA       CYS  71   4.502  -1.417 -11.966
  553   1HB   CYS  71           HB2      CYS  71   1.700  -0.769 -11.283
  554   2HB   CYS  71           HB1      CYS  71   2.907   0.068 -10.304
  555   1H    CYS  72           HN3      CYS  72   3.729   4.644 -11.803
  556   2H    CYS  72           HN2      CYS  72   2.329   3.702 -12.006
  557   3H    CYS  72           HN1      CYS  72   2.229   5.233 -11.276
  558    HA   CYS  72           HA       CYS  72   2.101   3.686  -9.522
  559   1HB   CYS  72           HB2      CYS  72   4.407   2.241  -9.460
  560   2HB   CYS  72           HB1      CYS  72   2.839   1.649  -9.982
  561    H    LEU  73           HN       LEU  73   5.573   3.793 -10.184
  562    HA   LEU  73           HA       LEU  73   6.392   4.772  -7.746
  563   1HB   LEU  73           HB2      LEU  73   8.278   5.949  -9.126
  564   2HB   LEU  73           HB1      LEU  73   8.142   4.191  -9.195
  565    HG   LEU  73           HG       LEU  73   6.408   5.408 -11.167
  566   1HD1  LEU  73           HD13     LEU  73   8.289   7.169 -10.893
  567   2HD1  LEU  73           HD12     LEU  73   9.340   5.957 -11.623
  568   3HD1  LEU  73           HD11     LEU  73   7.955   6.577 -12.520
  569   1HD2  LEU  73           HD22     LEU  73   8.494   3.321 -10.920
  570   2HD2  LEU  73           HD21     LEU  73   6.947   3.270 -11.766
  571   3HD2  LEU  73           HD23     LEU  73   8.343   4.034 -12.526
  572    H    GLY  74           HN       GLY  74   7.258   7.061  -7.263
  573   1HA   GLY  74           HA2      GLY  74   5.249   9.062  -8.225
  574   2HA   GLY  74           HA1      GLY  74   5.937   9.075  -6.600
  575   1HN   DAR  75           HN       ARG  75   6.267  11.412  -7.739
  576    HA   DAR  75           HA       ARG  75   8.395  11.763  -9.582
  577   1HB   DAR  75           HB1      ARG  75  10.333  11.907  -8.331
  578   2HB   DAR  75           HB2      ARG  75   9.492  10.652  -7.428
  579   1HG   DAR  75           HG1      ARG  75   9.382  13.605  -6.743
  580   2HG   DAR  75           HG2      ARG  75  10.460  12.446  -5.969
  581   1HD   DAR  75           HD1      ARG  75   8.802  11.610  -4.675
  582   2HD   DAR  75           HD2      ARG  75   7.680  11.542  -6.030
  583    HNE  DAR  75           HE       ARG  75   6.689  13.436  -5.125
  584   1HH1  DAR  75           HH11     ARG  75   6.683  15.572  -4.438
  585   2HH1  DAR  75           HH12     ARG  75   8.165  16.315  -3.934
  586   1HH2  DAR  75           HH21     ARG  75  10.092  13.493  -4.473
  587   2HH2  DAR  75           HH22     ARG  75  10.085  15.144  -3.966
   
  No H/Q in entry =         587
  Start of MODEL    4
    1   1H    MET   1           HN3      MET   1  13.698 -10.633   6.358
    2   2H    MET   1           HN2      MET   1  15.138 -10.825   7.236
    3   3H    MET   1           HN1      MET   1  14.794  -9.344   6.479
    4    HA   MET   1           HA       MET   1  15.462 -10.035   4.462
    5   1HB   MET   1           HB2      MET   1  16.762 -11.903   6.444
    6   2HB   MET   1           HB1      MET   1  17.179 -11.957   4.731
    7   1HG   MET   1           HG2      MET   1  18.688 -10.343   5.270
    8   2HG   MET   1           HG1      MET   1  17.292  -9.266   5.228
    9   1HE   MET   1           HE2      MET   1  20.260  -9.854   6.912
   10   2HE   MET   1           HE1      MET   1  19.612  -8.219   6.808
   11   3HE   MET   1           HE3      MET   1  19.975  -8.930   8.386
   12    H    LEU   2           HN       LEU   2  13.802 -10.809   3.176
   13    HA   LEU   2           HA       LEU   2  13.657 -13.688   2.766
   14   1HB   LEU   2           HB2      LEU   2  11.312 -13.984   3.334
   15   2HB   LEU   2           HB1      LEU   2  12.155 -13.353   4.750
   16    HG   LEU   2           HG       LEU   2  11.377 -11.073   3.326
   17   1HD1  LEU   2           HD13     LEU   2   9.709 -13.232   2.544
   18   2HD1  LEU   2           HD12     LEU   2   8.765 -12.235   3.653
   19   3HD1  LEU   2           HD11     LEU   2   9.476 -11.517   2.208
   20   1HD2  LEU   2           HD22     LEU   2  10.347 -12.520   5.765
   21   2HD2  LEU   2           HD21     LEU   2  11.327 -11.055   5.687
   22   3HD2  LEU   2           HD23     LEU   2   9.621 -11.000   5.241
   23    H    GLN   3           HN       GLN   3  12.422 -14.199   0.830
   24    HA   GLN   3           HA       GLN   3  12.561 -12.171  -1.192
   25   1HB   GLN   3           HB2      GLN   3  11.853 -14.985  -1.027
   26   2HB   GLN   3           HB1      GLN   3  10.760 -14.118  -2.105
   27   1HG   GLN   3           HG2      GLN   3  12.697 -13.180  -3.317
   28   2HG   GLN   3           HG1      GLN   3  13.789 -14.059  -2.246
   29   1HE2  GLN   3           HE22     GLN   3  12.981 -16.032  -5.426
   30   2HE2  GLN   3           HE21     GLN   3  13.408 -14.403  -5.214
   31    H    LYS   4           HN       LYS   4  11.088 -10.624  -1.732
   32    HA   LYS   4           HA       LYS   4   8.350 -10.866  -0.546
   33   1HB   LYS   4           HB2      LYS   4   9.520  -8.226  -1.359
   34   2HB   LYS   4           HB1      LYS   4   8.331  -8.580  -0.105
   35   1HG   LYS   4           HG2      LYS   4  10.153  -9.765   1.176
   36   2HG   LYS   4           HG1      LYS   4  11.303  -9.163  -0.019
   37   1HD   LYS   4           HD2      LYS   4  10.401  -6.826   0.499
   38   2HD   LYS   4           HD1      LYS   4   9.602  -7.554   1.894
   39   1HE   LYS   4           HE2      LYS   4  12.140  -8.562   2.133
   40   2HE   LYS   4           HE1      LYS   4  12.459  -6.963   1.462
   41   1HZ   LYS   4           HZ3      LYS   4  10.649  -7.393   3.764
   42   2HZ   LYS   4           HZ2      LYS   4  12.314  -7.108   3.953
   43   3HZ   LYS   4           HZ1      LYS   4  11.324  -5.933   3.225
   44    H    LYS   5           HN       LYS   5   6.620  -9.853  -1.873
   45    HA   LYS   5           HA       LYS   5   7.220 -10.197  -4.773
   46   1HB   LYS   5           HB2      LYS   5   4.630 -10.326  -3.206
   47   2HB   LYS   5           HB1      LYS   5   4.696 -10.353  -4.969
   48   1HG   LYS   5           HG2      LYS   5   6.403 -12.270  -3.412
   49   2HG   LYS   5           HG1      LYS   5   4.687 -12.621  -3.626
   50   1HD   LYS   5           HD2      LYS   5   4.932 -13.083  -5.837
   51   2HD   LYS   5           HD1      LYS   5   6.056 -11.746  -6.085
   52   1HE   LYS   5           HE2      LYS   5   7.910 -13.018  -5.332
   53   2HE   LYS   5           HE1      LYS   5   6.874 -14.244  -4.599
   54   1HZ   LYS   5           HZ1      LYS   5   6.116 -14.184  -7.221
   55   2HZ   LYS   5           HZ3      LYS   5   7.802 -14.028  -7.291
   56   3HZ   LYS   5           HZ2      LYS   5   7.107 -15.355  -6.491
   57    H    ILE   6           HN       ILE   6   4.385  -8.460  -3.705
   58    HA   ILE   6           HA       ILE   6   5.276  -6.121  -5.227
   59    HB   ILE   6           HB       ILE   6   2.727  -6.997  -3.915
   60   1HG1  ILE   6           HG12     ILE   6   3.410  -7.427  -6.340
   61   2HG1  ILE   6           HG11     ILE   6   1.839  -6.662  -6.110
   62   1HG2  ILE   6           HG21     ILE   6   3.380  -4.138  -4.689
   63   2HG2  ILE   6           HG23     ILE   6   1.747  -4.740  -4.404
   64   3HG2  ILE   6           HG22     ILE   6   2.922  -4.717  -3.088
   65   1HD1  ILE   6           HD13     ILE   6   4.387  -5.104  -6.622
   66   2HD1  ILE   6           HD12     ILE   6   3.271  -5.588  -7.898
   67   3HD1  ILE   6           HD11     ILE   6   2.735  -4.485  -6.631
   68    H    GLU   7           HN       GLU   7   5.979  -7.171  -2.197
   69    HA   GLU   7           HA       GLU   7   5.511  -4.912  -0.526
   70   1HB   GLU   7           HB2      GLU   7   6.300  -7.191   0.229
   71   2HB   GLU   7           HB1      GLU   7   7.899  -6.774  -0.383
   72   1HG   GLU   7           HG2      GLU   7   8.258  -5.167   1.250
   73   2HG   GLU   7           HG1      GLU   7   6.536  -4.857   1.469
   74    H    GLU   8           HN       GLU   8   8.777  -5.783  -1.711
   75    HA   GLU   8           HA       GLU   8   9.684  -3.055  -1.515
   76   1HB   GLU   8           HB2      GLU   8  11.668  -3.879  -2.806
   77   2HB   GLU   8           HB1      GLU   8  11.282  -4.923  -1.438
   78   1HG   GLU   8           HG2      GLU   8   9.777  -6.146  -3.280
   79   2HG   GLU   8           HG1      GLU   8  10.978  -5.441  -4.363
   80    H    ILE   9           HN       ILE   9   8.086  -4.890  -4.049
   81    HA   ILE   9           HA       ILE   9   8.722  -3.216  -6.269
   82    HB   ILE   9           HB       ILE   9   6.045  -4.502  -5.617
   83   1HG1  ILE   9           HG12     ILE   9   8.129  -6.005  -5.674
   84   2HG1  ILE   9           HG11     ILE   9   6.815  -6.447  -6.765
   85   1HG2  ILE   9           HG22     ILE   9   7.028  -2.898  -7.844
   86   2HG2  ILE   9           HG21     ILE   9   6.471  -4.485  -8.376
   87   3HG2  ILE   9           HG23     ILE   9   5.383  -3.422  -7.485
   88   1HD1  ILE   9           HD12     ILE   9   9.217  -4.773  -7.559
   89   2HD1  ILE   9           HD11     ILE   9   9.053  -6.501  -7.876
   90   3HD1  ILE   9           HD13     ILE   9   7.943  -5.357  -8.632
   91    H    ALA  10           HN       ALA  10   6.543  -2.938  -3.547
   92    HA   ALA  10           HA       ALA  10   5.418  -0.366  -4.394
   93   1HB   ALA  10           HB2      ALA  10   5.287  -1.973  -1.823
   94   2HB   ALA  10           HB1      ALA  10   4.526  -0.391  -2.000
   95   3HB   ALA  10           HB3      ALA  10   4.001  -1.741  -3.008
   96    H    ALA  11           HN       ALA  11   8.048  -1.620  -2.497
   97    HA   ALA  11           HA       ALA  11   8.749   0.637  -0.961
   98   1HB   ALA  11           HB3      ALA  11  10.493  -1.493  -2.191
   99   2HB   ALA  11           HB2      ALA  11  11.075  -0.296  -1.035
  100   3HB   ALA  11           HB1      ALA  11   9.844  -1.462  -0.552
  101    H    LYS  12           HN       LYS  12   9.364  -0.142  -4.342
  102    HA   LYS  12           HA       LYS  12  11.281   1.987  -4.782
  103   1HB   LYS  12           HB2      LYS  12   9.697   0.157  -6.570
  104   2HB   LYS  12           HB1      LYS  12  10.627   1.491  -7.253
  105   1HG   LYS  12           HG2      LYS  12  12.456   0.183  -7.147
  106   2HG   LYS  12           HG1      LYS  12  12.340   0.256  -5.388
  107   1HD   LYS  12           HD2      LYS  12  12.038  -1.985  -5.475
  108   2HD   LYS  12           HD1      LYS  12  10.412  -1.614  -6.050
  109   1HE   LYS  12           HE2      LYS  12  12.849  -2.365  -7.649
  110   2HE   LYS  12           HE1      LYS  12  11.228  -3.057  -7.714
  111   1HZ   LYS  12           HZ2      LYS  12  10.638  -0.604  -8.400
  112   2HZ   LYS  12           HZ1      LYS  12  12.255  -0.601  -8.925
  113   3HZ   LYS  12           HZ3      LYS  12  11.165  -1.741  -9.548
  114    H    TYR  13           HN       TYR  13   7.933   2.052  -4.343
  115    HA   TYR  13           HA       TYR  13   7.313   4.201  -6.200
  116   1HB   TYR  13           HB2      TYR  13   5.862   3.079  -3.773
  117   2HB   TYR  13           HB1      TYR  13   5.238   4.440  -4.687
  118    HD1  TYR  13           HD1      TYR  13   6.929   1.287  -5.676
  119    HD2  TYR  13           HD2      TYR  13   3.398   3.727  -6.084
  120    HE1  TYR  13           HE1      TYR  13   6.036  -0.288  -7.355
  121    HE2  TYR  13           HE2      TYR  13   2.544   2.162  -7.766
  122    HH   TYR  13           HH       TYR  13   2.774  -0.019  -8.541
  123    H    LYS  14           HN       LYS  14   8.939   5.712  -5.847
  124    HA   LYS  14           HA       LYS  14  10.401   6.966  -4.280
  125   1HB   LYS  14           HB2      LYS  14   8.295   8.144  -5.795
  126   2HB   LYS  14           HB1      LYS  14   8.473   9.058  -4.298
  127   1HG   LYS  14           HG2      LYS  14  10.042  10.074  -5.726
  128   2HG   LYS  14           HG1      LYS  14  11.025   8.940  -4.798
  129   1HD   LYS  14           HD2      LYS  14  11.229   7.448  -6.580
  130   2HD   LYS  14           HD1      LYS  14   9.767   8.039  -7.372
  131   1HE   LYS  14           HE2      LYS  14  10.853  10.039  -8.098
  132   2HE   LYS  14           HE1      LYS  14  12.240   9.749  -7.048
  133   1HZ   LYS  14           HZ2      LYS  14  11.798   7.537  -8.765
  134   2HZ   LYS  14           HZ1      LYS  14  11.952   8.963  -9.675
  135   3HZ   LYS  14           HZ3      LYS  14  13.184   8.507  -8.602
  136    H    HIS  15           HN       HIS  15  10.710   6.643  -2.152
  137    HA   HIS  15           HA       HIS  15   8.830   6.213  -0.145
  138   1HB   HIS  15           HB2      HIS  15  10.555   7.052   1.447
  139   2HB   HIS  15           HB1      HIS  15  11.219   5.936   0.256
  140    HD1  HIS  15           HD1      HIS  15  12.951   8.124   1.701
  141    HD2  HIS  15           HD2      HIS  15  11.269   8.544  -2.089
  142    HE1  HIS  15           HE1      HIS  15  14.327   9.873   0.496
  143    H    SER  16           HN       SER  16   9.562   9.214  -1.746
  144    HA   SER  16           HA       SER  16   8.868  11.184   0.070
  145   1HB   SER  16           HB2      SER  16   8.076  10.882  -2.831
  146   2HB   SER  16           HB1      SER  16   7.694  12.327  -1.900
  147    HG   SER  16           HG       SER  16  10.271  11.206  -2.326
  148    H    VAL  17           HN       VAL  17   6.342  10.063  -2.158
  149    HA   VAL  17           HA       VAL  17   4.518   9.687   0.169
  150    HB   VAL  17           HB       VAL  17   4.044  11.422  -2.268
  151   1HG1  VAL  17           HG12     VAL  17   2.122   9.989  -0.473
  152   2HG1  VAL  17           HG11     VAL  17   1.705  11.607  -1.036
  153   3HG1  VAL  17           HG13     VAL  17   2.006  10.317  -2.201
  154   1HG2  VAL  17           HG21     VAL  17   3.901  11.859   0.731
  155   2HG2  VAL  17           HG23     VAL  17   5.046  12.588  -0.395
  156   3HG2  VAL  17           HG22     VAL  17   3.341  13.035  -0.457
  157    H    VAL  18           HN       VAL  18   4.932   9.372  -3.346
  158    HA   VAL  18           HA       VAL  18   2.971   7.542  -4.026
  159    HB   VAL  18           HB       VAL  18   4.605   8.435  -5.626
  160   1HG1  VAL  18           HG12     VAL  18   6.430   6.931  -3.819
  161   2HG1  VAL  18           HG11     VAL  18   6.859   7.000  -5.525
  162   3HG1  VAL  18           HG13     VAL  18   6.671   8.491  -4.600
  163   1HG2  VAL  18           HG23     VAL  18   3.858   5.634  -5.403
  164   2HG2  VAL  18           HG22     VAL  18   3.960   6.641  -6.847
  165   3HG2  VAL  18           HG21     VAL  18   5.394   5.807  -6.250
  166    H    LYS  19           HN       LYS  19   5.704   6.985  -1.917
  167    HA   LYS  19           HA       LYS  19   5.728   4.109  -2.139
  168   1HB   LYS  19           HB2      LYS  19   7.685   4.926  -1.175
  169   2HB   LYS  19           HB1      LYS  19   6.833   6.132  -0.222
  170   1HG   LYS  19           HG2      LYS  19   6.696   4.722   1.545
  171   2HG   LYS  19           HG1      LYS  19   6.043   3.429   0.541
  172   1HD   LYS  19           HD2      LYS  19   8.070   2.445   0.250
  173   2HD   LYS  19           HD1      LYS  19   8.914   3.989   0.128
  174   1HE   LYS  19           HE2      LYS  19   9.280   4.123   2.390
  175   2HE   LYS  19           HE1      LYS  19   7.770   3.302   2.787
  176   1HZ   LYS  19           HZ3      LYS  19   9.285   1.442   1.449
  177   2HZ   LYS  19           HZ2      LYS  19  10.381   2.219   2.489
  178   3HZ   LYS  19           HZ1      LYS  19   8.980   1.492   3.117
  179    H    LYS  20           HN       LYS  20   4.963   5.686   0.947
  180    HA   LYS  20           HA       LYS  20   3.298   3.734   1.977
  181   1HB   LYS  20           HB2      LYS  20   2.803   6.715   2.258
  182   2HB   LYS  20           HB1      LYS  20   2.272   5.457   3.375
  183   1HG   LYS  20           HG2      LYS  20   4.296   5.350   4.375
  184   2HG   LYS  20           HG1      LYS  20   5.143   5.329   2.828
  185   1HD   LYS  20           HD2      LYS  20   5.845   7.398   3.511
  186   2HD   LYS  20           HD1      LYS  20   4.289   7.898   2.848
  187   1HE   LYS  20           HE2      LYS  20   3.273   7.579   5.111
  188   2HE   LYS  20           HE1      LYS  20   4.881   7.227   5.745
  189   1HZ   LYS  20           HZ2      LYS  20   4.483   9.688   4.201
  190   2HZ   LYS  20           HZ1      LYS  20   3.923   9.639   5.804
  191   3HZ   LYS  20           HZ3      LYS  20   5.564   9.372   5.472
  192    H    CYS  21           HN       CYS  21   2.573   5.943  -0.594
  193    HA   CYS  21           HA       CYS  21  -0.316   5.751  -0.609
  194   1HB   CYS  21           HB2      CYS  21   1.707   6.216  -2.798
  195   2HB   CYS  21           HB1      CYS  21  -0.030   6.358  -2.951
  196    H    CYS  22           HN       CYS  22   2.133   4.178  -2.699
  197    HA   CYS  22           HA       CYS  22   0.353   2.411  -3.951
  198   1HB   CYS  22           HB2      CYS  22   2.260   2.387  -5.066
  199   2HB   CYS  22           HB1      CYS  22   3.263   2.630  -3.645
  200    H    TYR  23           HN       TYR  23   2.312   2.059  -1.016
  201    HA   TYR  23           HA       TYR  23   1.505  -0.599  -0.368
  202   1HB   TYR  23           HB2      TYR  23   2.335   1.751   1.351
  203   2HB   TYR  23           HB1      TYR  23   1.903   0.190   2.049
  204    HD1  TYR  23           HD2      TYR  23   4.174   1.835  -0.375
  205    HD2  TYR  23           HD1      TYR  23   3.456  -1.617   2.060
  206    HE1  TYR  23           HE2      TYR  23   6.463   1.027  -0.860
  207    HE2  TYR  23           HE1      TYR  23   5.747  -2.442   1.566
  208    HH   TYR  23           HH       TYR  23   7.987  -1.332   0.881
  209    H    ASP  24           HN       ASP  24   0.069   2.573   0.028
  210    HA   ASP  24           HA       ASP  24  -2.086   1.955   1.760
  211   1HB   ASP  24           HB2      ASP  24  -1.368   4.152  -0.038
  212   2HB   ASP  24           HB1      ASP  24  -3.092   3.771  -0.157
  213    H    GLY  25           HN       GLY  25  -1.852   1.792  -1.767
  214   1HA   GLY  25           HA2      GLY  25  -4.478   0.894  -2.325
  215   2HA   GLY  25           HA1      GLY  25  -3.065   0.586  -3.333
  216    H    ALA  26           HN       ALA  26  -1.477  -1.069  -2.064
  217    HA   ALA  26           HA       ALA  26  -3.082  -3.524  -1.892
  218   1HB   ALA  26           HB3      ALA  26  -0.186  -2.848  -2.066
  219   2HB   ALA  26           HB2      ALA  26  -0.613  -4.403  -1.350
  220   3HB   ALA  26           HB1      ALA  26  -1.127  -4.017  -2.992
  221    H    SER  27           HN       SER  27  -2.586  -1.244   0.412
  222    HA   SER  27           HA       SER  27  -1.987  -3.174   2.572
  223   1HB   SER  27           HB2      SER  27  -1.995  -0.211   2.415
  224   2HB   SER  27           HB1      SER  27  -2.043  -1.012   3.966
  225    HG   SER  27           HG       SER  27  -0.154  -2.192   3.215
  226    H    VAL  28           HN       VAL  28  -4.378  -0.621   1.870
  227    HA   VAL  28           HA       VAL  28  -6.062  -1.343   4.080
  228    HB   VAL  28           HB       VAL  28  -7.400  -0.212   1.678
  229   1HG1  VAL  28           HG11     VAL  28  -7.326   0.160   4.652
  230   2HG1  VAL  28           HG13     VAL  28  -7.913   1.486   3.649
  231   3HG1  VAL  28           HG12     VAL  28  -8.713  -0.084   3.596
  232   1HG2  VAL  28           HG22     VAL  28  -4.890   0.877   2.823
  233   2HG2  VAL  28           HG21     VAL  28  -5.633   1.180   1.253
  234   3HG2  VAL  28           HG23     VAL  28  -6.213   2.033   2.681
  235    H    ASN  29           HN       ASN  29  -8.564  -1.907   3.288
  236    HA   ASN  29           HA       ASN  29  -8.724  -4.634   2.957
  237   1HB   ASN  29           HB2      ASN  29 -10.541  -2.475   2.806
  238   2HB   ASN  29           HB1      ASN  29 -10.828  -3.448   1.369
  239   1HD2  ASN  29           HD22     ASN  29 -11.221  -6.379   3.808
  240   2HD2  ASN  29           HD21     ASN  29  -9.957  -5.987   2.749
  241    H    ASN  30           HN       ASN  30  -9.469  -5.901   0.981
  242    HA   ASN  30           HA       ASN  30  -7.578  -6.052  -1.015
  243   1HB   ASN  30           HB2      ASN  30 -10.559  -6.528  -1.325
  244   2HB   ASN  30           HB1      ASN  30  -9.326  -7.103  -2.447
  245   1HD2  ASN  30           HD22     ASN  30  -8.997 -10.038  -0.532
  246   2HD2  ASN  30           HD21     ASN  30  -9.193  -9.335  -2.065
  247    H    ASP  31           HN       ASP  31 -10.148  -3.684  -0.749
  248    HA   ASP  31           HA       ASP  31  -8.893  -2.126  -2.889
  249   1HB   ASP  31           HB2      ASP  31 -11.046  -1.914  -4.169
  250   2HB   ASP  31           HB1      ASP  31 -10.335  -3.527  -4.240
  251    H    GLU  32           HN       GLU  32  -9.742  -1.949   0.069
  252    HA   GLU  32           HA       GLU  32 -11.872  -0.173   0.444
  253   1HB   GLU  32           HB2      GLU  32 -10.877  -0.787   2.451
  254   2HB   GLU  32           HB1      GLU  32  -9.242  -0.523   1.849
  255   1HG   GLU  32           HG2      GLU  32  -9.275   1.698   2.395
  256   2HG   GLU  32           HG1      GLU  32 -10.971   1.883   1.950
  257    H    THR  33           HN       THR  33  -8.639   1.241   0.700
  258    HA   THR  33           HA       THR  33  -9.488   3.742  -0.435
  259    HB   THR  33           HB       THR  33  -6.621   2.834  -0.400
  260    HG1  THR  33           HG1      THR  33  -6.936   3.866   1.863
  261   1HG2  THR  33           HG21     THR  33  -8.106   5.433  -0.062
  262   2HG2  THR  33           HG23     THR  33  -6.417   5.261   0.413
  263   3HG2  THR  33           HG22     THR  33  -6.889   5.019  -1.269
  264    H    CYS  34           HN       CYS  34  -7.702   0.965  -1.730
  265    HA   CYS  34           HA       CYS  34  -6.817   1.619  -4.217
  266   1HB   CYS  34           HB2      CYS  34  -7.251  -0.714  -3.195
  267   2HB   CYS  34           HB1      CYS  34  -8.842  -0.601  -3.945
  268    H    GLU  35           HN       GLU  35 -10.206   1.447  -3.271
  269    HA   GLU  35           HA       GLU  35 -11.115   2.175  -5.985
  270   1HB   GLU  35           HB2      GLU  35 -12.430   0.524  -4.810
  271   2HB   GLU  35           HB1      GLU  35 -12.619   1.597  -3.423
  272   1HG   GLU  35           HG2      GLU  35 -13.755   3.242  -4.982
  273   2HG   GLU  35           HG1      GLU  35 -13.756   1.970  -6.204
  274    H    GLN  36           HN       GLN  36 -12.077   3.498  -2.799
  275    HA   GLN  36           HA       GLN  36 -13.133   5.901  -3.586
  276   1HB   GLN  36           HB2      GLN  36 -11.300   5.374  -1.236
  277   2HB   GLN  36           HB1      GLN  36 -12.192   6.881  -1.446
  278   1HG   GLN  36           HG2      GLN  36 -13.426   4.114  -1.294
  279   2HG   GLN  36           HG1      GLN  36 -13.436   5.312   0.000
  280   1HE2  GLN  36           HE22     GLN  36 -16.464   5.456  -2.473
  281   2HE2  GLN  36           HE21     GLN  36 -15.584   4.079  -2.012
  282    H    ARG  37           HN       ARG  37  -9.757   5.034  -3.741
  283    HA   ARG  37           HA       ARG  37  -9.042   7.805  -4.487
  284   1HB   ARG  37           HB2      ARG  37  -7.502   5.408  -3.572
  285   2HB   ARG  37           HB1      ARG  37  -6.668   6.653  -4.495
  286   1HG   ARG  37           HG2      ARG  37  -8.304   7.176  -1.995
  287   2HG   ARG  37           HG1      ARG  37  -6.549   7.014  -2.017
  288   1HD   ARG  37           HD2      ARG  37  -6.236   9.055  -3.022
  289   2HD   ARG  37           HD1      ARG  37  -7.737   8.955  -3.937
  290    HE   ARG  37           HE       ARG  37  -8.568   9.210  -1.301
  291   1HH1  ARG  37           HH21     ARG  37  -6.487  10.921  -3.460
  292   2HH1  ARG  37           HH22     ARG  37  -6.782  12.460  -2.726
  293   1HH2  ARG  37           HH12     ARG  37  -8.960  11.216  -0.339
  294   2HH2  ARG  37           HH11     ARG  37  -8.178  12.629  -0.966
  295    H    ALA  38           HN       ALA  38  -8.866   4.450  -5.801
  296    HA   ALA  38           HA       ALA  38  -7.747   5.406  -8.319
  297   1HB   ALA  38           HB3      ALA  38  -7.468   3.060  -7.424
  298   2HB   ALA  38           HB2      ALA  38  -9.162   2.775  -7.823
  299   3HB   ALA  38           HB1      ALA  38  -8.003   3.143  -9.101
  300    H    ALA  39           HN       ALA  39 -10.711   5.920  -7.028
  301    HA   ALA  39           HA       ALA  39 -12.027   5.872  -9.714
  302   1HB   ALA  39           HB3      ALA  39 -13.165   5.382  -6.956
  303   2HB   ALA  39           HB2      ALA  39 -14.191   5.799  -8.329
  304   3HB   ALA  39           HB1      ALA  39 -13.229   4.320  -8.363
  305    H    ARG  40           HN       ARG  40 -12.465   7.464  -6.530
  306    HA   ARG  40           HA       ARG  40 -13.418   9.909  -7.799
  307   1HB   ARG  40           HB2      ARG  40 -13.388   8.802  -5.167
  308   2HB   ARG  40           HB1      ARG  40 -12.587  10.373  -5.098
  309   1HG   ARG  40           HG2      ARG  40 -14.683  11.017  -6.673
  310   2HG   ARG  40           HG1      ARG  40 -15.416   9.717  -5.732
  311   1HD   ARG  40           HD2      ARG  40 -13.870  11.937  -4.397
  312   2HD   ARG  40           HD1      ARG  40 -15.585  12.108  -4.772
  313    HE   ARG  40           HE       ARG  40 -15.445   9.691  -3.430
  314   1HH1  ARG  40           HH21     ARG  40 -14.393  12.930  -2.853
  315   2HH1  ARG  40           HH22     ARG  40 -14.549  12.812  -1.132
  316   1HH2  ARG  40           HH12     ARG  40 -15.653   9.526  -1.188
  317   2HH2  ARG  40           HH11     ARG  40 -15.261  10.887  -0.192
  318    H    ILE  41           HN       ILE  41 -11.521  10.280  -9.195
  319    HA   ILE  41           HA       ILE  41  -9.173  11.360  -7.686
  320    HB   ILE  41           HB       ILE  41  -9.399  10.147 -10.450
  321   1HG1  ILE  41           HG12     ILE  41  -7.468   9.446  -8.241
  322   2HG1  ILE  41           HG11     ILE  41  -9.100   8.775  -8.262
  323   1HG2  ILE  41           HG23     ILE  41  -7.097  11.653  -9.177
  324   2HG2  ILE  41           HG22     ILE  41  -6.953  10.666 -10.632
  325   3HG2  ILE  41           HG21     ILE  41  -7.971  12.107 -10.640
  326   1HD1  ILE  41           HD12     ILE  41  -8.522   8.195 -10.762
  327   2HD1  ILE  41           HD11     ILE  41  -6.855   8.345 -10.207
  328   3HD1  ILE  41           HD13     ILE  41  -7.928   7.158  -9.465
  329    H    SER  42           HN       SER  42 -10.150  13.474  -7.448
  330    HA   SER  42           HA       SER  42 -11.292  14.984  -9.575
  331   1HB   SER  42           HB2      SER  42 -10.148  16.912  -8.022
  332   2HB   SER  42           HB1      SER  42 -11.676  16.126  -7.638
  333    HG   SER  42           HG       SER  42  -9.088  15.322  -6.777
  334    H    LEU  43           HN       LEU  43  -7.949  14.937  -8.337
  335    HA   LEU  43           HA       LEU  43  -7.035  15.729 -11.049
  336   1HB   LEU  43           HB2      LEU  43  -5.668  17.510 -10.294
  337   2HB   LEU  43           HB1      LEU  43  -7.210  17.757  -9.486
  338    HG   LEU  43           HG       LEU  43  -5.631  18.074  -7.772
  339   1HD1  LEU  43           HD13     LEU  43  -7.423  16.358  -7.246
  340   2HD1  LEU  43           HD12     LEU  43  -6.202  15.116  -7.525
  341   3HD1  LEU  43           HD11     LEU  43  -5.986  16.288  -6.226
  342   1HD2  LEU  43           HD23     LEU  43  -3.903  16.708  -9.403
  343   2HD2  LEU  43           HD22     LEU  43  -3.538  17.197  -7.748
  344   3HD2  LEU  43           HD21     LEU  43  -4.116  15.564  -8.077
  345    H    GLY  44           HN       GLY  44  -6.916  13.466  -8.781
  346   1HA   GLY  44           HA2      GLY  44  -5.435  11.732  -8.314
  347   2HA   GLY  44           HA1      GLY  44  -4.564  12.193  -9.766
  348    HA   PRO  45           HA       PRO  45  -2.954  14.841  -5.823
  349   1HB   PRO  45           HB2      PRO  45  -3.026  12.752  -3.847
  350   2HB   PRO  45           HB1      PRO  45  -3.794  14.341  -3.787
  351   1HG   PRO  45           HG2      PRO  45  -5.017  11.769  -4.228
  352   2HG   PRO  45           HG1      PRO  45  -5.794  13.342  -4.029
  353   1HD   PRO  45           HD2      PRO  45  -5.698  11.840  -6.386
  354   2HD   PRO  45           HD1      PRO  45  -6.155  13.543  -6.253
  355    H    ARG  46           HN       ARG  46  -2.552  11.291  -5.476
  356    HA   ARG  46           HA       ARG  46  -0.124  11.122  -6.939
  357   1HB   ARG  46           HB2      ARG  46   0.364  12.587  -4.724
  358   2HB   ARG  46           HB1      ARG  46   0.614  10.970  -4.064
  359   1HG   ARG  46           HG2      ARG  46   2.720  11.240  -4.904
  360   2HG   ARG  46           HG1      ARG  46   1.957  10.743  -6.414
  361   1HD   ARG  46           HD2      ARG  46   1.592  13.590  -5.911
  362   2HD   ARG  46           HD1      ARG  46   3.299  13.149  -5.965
  363    HE   ARG  46           HE       ARG  46   2.215  11.875  -8.174
  364   1HH1  ARG  46           HH21     ARG  46   2.256  15.088  -6.908
  365   2HH1  ARG  46           HH22     ARG  46   2.171  15.840  -8.465
  366   1HH2  ARG  46           HH12     ARG  46   2.102  12.846 -10.210
  367   2HH2  ARG  46           HH11     ARG  46   2.084  14.573 -10.331
  368    H    CYS  47           HN       CYS  47  -1.421   9.916  -3.809
  369    HA   CYS  47           HA       CYS  47  -0.473   7.271  -4.226
  370   1HB   CYS  47           HB2      CYS  47  -2.954   7.809  -2.603
  371   2HB   CYS  47           HB1      CYS  47  -1.727   6.606  -2.321
  372    H    ILE  48           HN       ILE  48  -3.388   8.849  -5.411
  373    HA   ILE  48           HA       ILE  48  -4.684   6.366  -5.984
  374    HB   ILE  48           HB       ILE  48  -6.119   7.667  -7.503
  375   1HG1  ILE  48           HG12     ILE  48  -5.535  10.256  -7.377
  376   2HG1  ILE  48           HG11     ILE  48  -3.890   9.646  -7.281
  377   1HG2  ILE  48           HG22     ILE  48  -5.632   8.240  -4.737
  378   2HG2  ILE  48           HG21     ILE  48  -6.133   9.721  -5.554
  379   3HG2  ILE  48           HG23     ILE  48  -7.158   8.289  -5.616
  380   1HD1  ILE  48           HD11     ILE  48  -5.025   8.111  -9.300
  381   2HD1  ILE  48           HD13     ILE  48  -5.715   9.712  -9.566
  382   3HD1  ILE  48           HD12     ILE  48  -3.964   9.499  -9.538
  383    H    LYS  49           HN       LYS  49  -2.819   8.529  -8.213
  384    HA   LYS  49           HA       LYS  49  -2.841   6.668 -10.371
  385   1HB   LYS  49           HB2      LYS  49  -2.026   9.162 -10.268
  386   2HB   LYS  49           HB1      LYS  49  -0.469   8.442  -9.857
  387   1HG   LYS  49           HG2      LYS  49  -1.238   6.882 -11.972
  388   2HG   LYS  49           HG1      LYS  49  -1.917   8.445 -12.427
  389   1HD   LYS  49           HD2      LYS  49   0.970   7.853 -11.721
  390   2HD   LYS  49           HD1      LYS  49   0.340   8.332 -13.298
  391   1HE   LYS  49           HE2      LYS  49  -0.582  10.407 -11.924
  392   2HE   LYS  49           HE1      LYS  49   0.739   9.985 -10.834
  393   1HZ   LYS  49           HZ3      LYS  49   2.090   9.886 -13.029
  394   2HZ   LYS  49           HZ2      LYS  49   0.849  10.879 -13.631
  395   3HZ   LYS  49           HZ1      LYS  49   1.776  11.385 -12.301
  396    H    ALA  50           HN       ALA  50  -0.116   7.352  -8.136
  397    HA   ALA  50           HA       ALA  50   1.540   5.184  -8.832
  398   1HB   ALA  50           HB3      ALA  50   2.149   6.954  -7.169
  399   2HB   ALA  50           HB2      ALA  50   1.045   6.200  -6.020
  400   3HB   ALA  50           HB1      ALA  50   2.466   5.323  -6.580
  401    H    PHE  51           HN       PHE  51  -0.600   5.296  -6.053
  402    HA   PHE  51           HA       PHE  51  -0.366   2.526  -5.615
  403   1HB   PHE  51           HB2      PHE  51  -1.257   3.058  -3.678
  404   2HB   PHE  51           HB1      PHE  51  -1.269   4.710  -4.185
  405    HD1  PHE  51           HD1      PHE  51  -3.630   4.324  -6.226
  406    HD2  PHE  51           HD2      PHE  51  -3.039   3.183  -2.158
  407    HE1  PHE  51           HE1      PHE  51  -6.073   4.262  -5.885
  408    HE2  PHE  51           HE2      PHE  51  -5.481   3.135  -1.812
  409    HZ   PHE  51           HZ       PHE  51  -7.003   3.671  -3.679
  410    H    THR  52           HN       THR  52  -2.137   4.062  -8.024
  411    HA   THR  52           HA       THR  52  -4.424   2.211  -8.003
  412    HB   THR  52           HB       THR  52  -3.512   4.438  -9.810
  413    HG1  THR  52           HG1      THR  52  -6.118   3.805  -8.964
  414   1HG2  THR  52           HG22     THR  52  -5.555   2.331 -10.578
  415   2HG2  THR  52           HG21     THR  52  -5.246   3.826 -11.461
  416   3HG2  THR  52           HG23     THR  52  -3.997   2.585 -11.363
  417    H    GLU  53           HN       GLU  53  -1.436   2.724  -9.862
  418    HA   GLU  53           HA       GLU  53  -1.859   0.267 -11.411
  419   1HB   GLU  53           HB2      GLU  53  -0.188   2.491 -11.649
  420   2HB   GLU  53           HB1      GLU  53   0.911   1.186 -11.202
  421   1HG   GLU  53           HG2      GLU  53   0.572   0.047 -13.158
  422   2HG   GLU  53           HG1      GLU  53  -1.126   0.516 -13.253
  423    H    CYS  54           HN       CYS  54  -0.357   1.213  -8.416
  424    HA   CYS  54           HA       CYS  54   1.116  -1.274  -8.039
  425   1HB   CYS  54           HB2      CYS  54   2.041   0.558  -6.932
  426   2HB   CYS  54           HB1      CYS  54   0.481   1.141  -6.347
  427    H    CYS  55           HN       CYS  55  -2.027  -0.002  -7.042
  428    HA   CYS  55           HA       CYS  55  -2.579  -2.253  -5.273
  429   1HB   CYS  55           HB2      CYS  55  -3.738  -0.148  -4.840
  430   2HB   CYS  55           HB1      CYS  55  -4.444  -0.148  -6.451
  431    H    VAL  56           HN       VAL  56  -3.530  -1.273  -8.552
  432    HA   VAL  56           HA       VAL  56  -5.203  -3.514  -9.110
  433    HB   VAL  56           HB       VAL  56  -4.814  -2.955 -11.492
  434   1HG1  VAL  56           HG11     VAL  56  -5.262  -0.698  -9.535
  435   2HG1  VAL  56           HG13     VAL  56  -5.405  -0.457 -11.276
  436   3HG1  VAL  56           HG12     VAL  56  -6.466  -1.601 -10.454
  437   1HG2  VAL  56           HG22     VAL  56  -2.590  -1.323 -10.273
  438   2HG2  VAL  56           HG21     VAL  56  -2.521  -2.430 -11.644
  439   3HG2  VAL  56           HG23     VAL  56  -3.302  -0.859 -11.818
  440    H    VAL  57           HN       VAL  57  -1.717  -2.956  -9.793
  441    HA   VAL  57           HA       VAL  57  -1.244  -5.531 -10.924
  442    HB   VAL  57           HB       VAL  57   0.463  -3.826 -11.094
  443   1HG1  VAL  57           HG12     VAL  57  -0.268  -3.045  -8.620
  444   2HG1  VAL  57           HG11     VAL  57   1.179  -3.965  -8.208
  445   3HG1  VAL  57           HG13     VAL  57   1.284  -2.608  -9.331
  446   1HG2  VAL  57           HG22     VAL  57   0.959  -6.437 -10.376
  447   2HG2  VAL  57           HG21     VAL  57   2.190  -5.295 -10.915
  448   3HG2  VAL  57           HG23     VAL  57   1.913  -5.545  -9.191
  449    H    ALA  58           HN       ALA  58  -0.856  -4.424  -7.538
  450    HA   ALA  58           HA       ALA  58  -0.012  -6.777  -6.333
  451   1HB   ALA  58           HB3      ALA  58  -0.581  -4.470  -5.282
  452   2HB   ALA  58           HB2      ALA  58  -2.199  -5.139  -5.072
  453   3HB   ALA  58           HB1      ALA  58  -0.816  -5.914  -4.299
  454    H    SER  59           HN       SER  59  -3.439  -5.860  -6.752
  455    HA   SER  59           HA       SER  59  -4.470  -8.390  -5.883
  456   1HB   SER  59           HB2      SER  59  -6.108  -7.049  -7.902
  457   2HB   SER  59           HB1      SER  59  -6.480  -7.405  -6.217
  458    HG   SER  59           HG       SER  59  -5.691  -5.505  -5.625
  459    H    GLN  60           HN       GLN  60  -4.584  -7.075  -9.165
  460    HA   GLN  60           HA       GLN  60  -5.295  -9.091 -10.743
  461   1HB   GLN  60           HB2      GLN  60  -2.820  -7.403 -11.171
  462   2HB   GLN  60           HB1      GLN  60  -3.562  -8.395 -12.428
  463   1HG   GLN  60           HG2      GLN  60  -5.570  -7.117 -12.396
  464   2HG   GLN  60           HG1      GLN  60  -5.136  -6.333 -10.877
  465   1HE2  GLN  60           HE22     GLN  60  -4.360  -4.002 -13.732
  466   2HE2  GLN  60           HE21     GLN  60  -5.769  -4.799 -13.221
  467    H    LEU  61           HN       LEU  61  -1.859  -8.971  -9.601
  468    HA   LEU  61           HA       LEU  61  -1.503 -11.692 -10.616
  469   1HB   LEU  61           HB2      LEU  61   0.452 -10.938  -8.619
  470   2HB   LEU  61           HB1      LEU  61   0.696 -11.423 -10.287
  471    HG   LEU  61           HG       LEU  61   0.245  -8.693  -9.158
  472   1HD1  LEU  61           HD13     LEU  61   2.539  -9.541  -9.352
  473   2HD1  LEU  61           HD12     LEU  61   2.278  -9.858 -11.066
  474   3HD1  LEU  61           HD11     LEU  61   2.270  -8.199 -10.466
  475   1HD2  LEU  61           HD21     LEU  61  -0.785  -9.710 -11.664
  476   2HD2  LEU  61           HD23     LEU  61  -0.929  -8.080 -11.007
  477   3HD2  LEU  61           HD22     LEU  61   0.474  -8.517 -11.982
  478    H    ARG  62           HN       ARG  62  -1.700 -10.257  -7.352
  479    HA   ARG  62           HA       ARG  62  -1.410 -12.405  -5.721
  480   1HB   ARG  62           HB2      ARG  62  -3.603 -10.325  -5.678
  481   2HB   ARG  62           HB1      ARG  62  -3.477 -11.550  -4.415
  482   1HG   ARG  62           HG2      ARG  62  -1.048  -9.957  -5.176
  483   2HG   ARG  62           HG1      ARG  62  -2.254  -9.246  -4.105
  484   1HD   ARG  62           HD2      ARG  62  -1.118 -11.994  -3.592
  485   2HD   ARG  62           HD1      ARG  62  -0.315 -10.541  -2.999
  486    HE   ARG  62           HE       ARG  62  -2.930 -10.245  -2.136
  487   1HH1  ARG  62           HH21     ARG  62  -0.487 -12.679  -1.923
  488   2HH1  ARG  62           HH22     ARG  62  -1.032 -13.273  -0.392
  489   1HH2  ARG  62           HH12     ARG  62  -3.647 -11.013  -0.137
  490   2HH2  ARG  62           HH11     ARG  62  -2.818 -12.333   0.619
  491    H    ALA  63           HN       ALA  63  -4.153 -11.921  -7.904
  492    HA   ALA  63           HA       ALA  63  -5.660 -14.214  -7.038
  493   1HB   ALA  63           HB1      ALA  63  -5.942 -12.237  -9.015
  494   2HB   ALA  63           HB3      ALA  63  -5.802 -13.748  -9.914
  495   3HB   ALA  63           HB2      ALA  63  -7.065 -13.560  -8.696
  496    H    ASN  64           HN       ASN  64  -3.462 -13.775  -9.826
  497    HA   ASN  64           HA       ASN  64  -2.520 -16.577  -9.409
  498   1HB   ASN  64           HB2      ASN  64  -3.859 -15.439 -11.799
  499   2HB   ASN  64           HB1      ASN  64  -2.413 -16.397 -12.118
  500   1HD2  ASN  64           HD22     ASN  64  -4.729 -19.122 -12.051
  501   2HD2  ASN  64           HD21     ASN  64  -3.872 -18.075 -13.076
  502    H    ILE  65           HN       ILE  65  -0.887 -14.810  -8.398
  503    HA   ILE  65           HA       ILE  65   0.769 -13.264 -10.123
  504    HB   ILE  65           HB       ILE  65   2.289 -14.500  -7.930
  505   1HG1  ILE  65           HG12     ILE  65  -0.340 -13.118  -7.367
  506   2HG1  ILE  65           HG11     ILE  65   0.153 -14.722  -6.828
  507   1HG2  ILE  65           HG23     ILE  65   2.070 -12.015  -9.295
  508   2HG2  ILE  65           HG22     ILE  65   1.693 -11.699  -7.602
  509   3HG2  ILE  65           HG21     ILE  65   3.224 -12.447  -8.038
  510   1HD1  ILE  65           HD13     ILE  65   2.187 -13.017  -5.933
  511   2HD1  ILE  65           HD12     ILE  65   0.693 -12.137  -5.613
  512   3HD1  ILE  65           HD11     ILE  65   0.924 -13.752  -4.944
  513    H    SER  66           HN       SER  66   1.383 -14.325 -11.999
  514    HA   SER  66           HA       SER  66   3.643 -16.134 -11.802
  515   1HB   SER  66           HB2      SER  66   2.488 -17.998 -13.078
  516   2HB   SER  66           HB1      SER  66   1.979 -17.824 -11.401
  517    HG   SER  66           HG       SER  66   0.072 -17.752 -12.324
  518    H    HIS  67           HN       HIS  67   0.971 -15.380 -14.075
  519    HA   HIS  67           HA       HIS  67   2.336 -15.484 -16.479
  520   1HB   HIS  67           HB2      HIS  67   0.179 -13.644 -15.482
  521   2HB   HIS  67           HB1      HIS  67   0.863 -13.402 -17.090
  522    HD1  HIS  67           HD1      HIS  67  -1.277 -15.732 -15.101
  523    HD2  HIS  67           HD2      HIS  67   0.336 -15.537 -18.940
  524    HE1  HIS  67           HE1      HIS  67  -2.449 -17.517 -16.463
  525    H    LYS  68           HN       LYS  68   1.963 -12.431 -14.667
  526    HA   LYS  68           HA       LYS  68   4.794 -11.787 -15.030
  527   1HB   LYS  68           HB2      LYS  68   3.105 -11.108 -17.124
  528   2HB   LYS  68           HB1      LYS  68   3.183  -9.624 -16.173
  529   1HG   LYS  68           HG2      LYS  68   5.764 -10.127 -16.123
  530   2HG   LYS  68           HG1      LYS  68   5.404 -11.109 -17.544
  531   1HD   LYS  68           HD2      LYS  68   4.008  -8.745 -18.006
  532   2HD   LYS  68           HD1      LYS  68   5.526  -8.203 -17.291
  533   1HE   LYS  68           HE2      LYS  68   5.939  -8.342 -19.638
  534   2HE   LYS  68           HE1      LYS  68   6.699  -9.770 -18.936
  535   1HZ   LYS  68           HZ2      LYS  68   3.935  -9.791 -19.998
  536   2HZ   LYS  68           HZ1      LYS  68   5.286 -10.154 -20.961
  537   3HZ   LYS  68           HZ3      LYS  68   4.921 -11.122 -19.617
  538    H    ASP  69           HN       ASP  69   4.290  -8.903 -14.788
  539    HA   ASP  69           HA       ASP  69   2.642  -8.556 -12.390
  540   1HB   ASP  69           HB2      ASP  69   4.480  -7.878 -10.924
  541   2HB   ASP  69           HB1      ASP  69   4.749  -9.531 -11.477
  542    H    MET  70           HN       MET  70   1.689  -6.633 -12.833
  543    HA   MET  70           HA       MET  70   2.875  -4.714 -14.661
  544   1HB   MET  70           HB2      MET  70   0.311  -5.231 -13.760
  545   2HB   MET  70           HB1      MET  70   0.710  -3.718 -12.945
  546   1HG   MET  70           HG2      MET  70   0.356  -2.602 -14.864
  547   2HG   MET  70           HG1      MET  70   1.657  -3.517 -15.625
  548   1HE   MET  70           HE1      MET  70  -1.700  -3.009 -14.644
  549   2HE   MET  70           HE3      MET  70  -2.293  -2.911 -16.307
  550   3HE   MET  70           HE2      MET  70  -2.736  -4.280 -15.290
  551    H    CYS  71           HN       CYS  71   1.974  -2.350 -13.115
  552    HA   CYS  71           HA       CYS  71   4.346  -1.408 -12.055
  553   1HB   CYS  71           HB2      CYS  71   1.472  -0.802 -11.519
  554   2HB   CYS  71           HB1      CYS  71   2.658  -0.118 -10.403
  555   1H    CYS  72           HN3      CYS  72   3.724   4.281 -11.916
  556   2H    CYS  72           HN2      CYS  72   2.290   3.374 -12.008
  557   3H    CYS  72           HN1      CYS  72   2.256   4.966 -11.415
  558    HA   CYS  72           HA       CYS  72   2.098   3.495  -9.559
  559   1HB   CYS  72           HB2      CYS  72   4.500   2.196  -9.373
  560   2HB   CYS  72           HB1      CYS  72   2.973   1.464  -9.831
  561    H    LEU  73           HN       LEU  73   5.532   3.920 -10.387
  562    HA   LEU  73           HA       LEU  73   6.377   4.984  -7.979
  563   1HB   LEU  73           HB2      LEU  73   8.286   5.878  -9.139
  564   2HB   LEU  73           HB1      LEU  73   7.820   4.396  -9.976
  565    HG   LEU  73           HG       LEU  73   6.283   6.351 -11.219
  566   1HD1  LEU  73           HD13     LEU  73   8.308   7.724  -9.888
  567   2HD1  LEU  73           HD12     LEU  73   8.931   7.547 -11.528
  568   3HD1  LEU  73           HD11     LEU  73   7.375   8.330 -11.256
  569   1HD2  LEU  73           HD22     LEU  73   8.252   4.432 -11.855
  570   2HD2  LEU  73           HD21     LEU  73   7.210   5.296 -12.985
  571   3HD2  LEU  73           HD23     LEU  73   8.803   5.939 -12.587
  572    H    GLY  74           HN       GLY  74   7.231   7.416  -7.810
  573   1HA   GLY  74           HA2      GLY  74   5.341   9.373  -8.935
  574   2HA   GLY  74           HA1      GLY  74   5.252   9.159  -7.188
  575   1HN   DAR  75           HN       ARG  75   5.947  11.637  -8.053
  576    HA   DAR  75           HA       ARG  75   8.716  12.113  -8.513
  577   1HB   DAR  75           HB1      ARG  75   8.472  11.038  -6.051
  578   2HB   DAR  75           HB2      ARG  75   8.182  12.731  -5.651
  579   1HG   DAR  75           HG1      ARG  75  10.302  13.170  -7.126
  580   2HG   DAR  75           HG2      ARG  75  10.635  11.460  -6.848
  581   1HD   DAR  75           HD1      ARG  75  11.298  11.852  -4.725
  582   2HD   DAR  75           HD2      ARG  75   9.855  12.806  -4.394
  583    HNE  DAR  75           HE       ARG  75  11.230  14.674  -4.516
  584   1HH1  DAR  75           HH11     ARG  75  12.654  16.061  -5.557
  585   2HH1  DAR  75           HH12     ARG  75  13.629  15.468  -6.861
  586   1HH2  DAR  75           HH21     ARG  75  12.385  12.245  -6.698
  587   2HH2  DAR  75           HH22     ARG  75  13.468  13.320  -7.508
   
  No H/Q in entry =         587
  Start of MODEL    5
    1   1H    MET   1           HN1      MET   1   9.912 -11.757   7.136
    2   2H    MET   1           HN3      MET   1   8.888 -10.796   8.086
    3   3H    MET   1           HN2      MET   1   8.228 -11.959   7.038
    4    HA   MET   1           HA       MET   1   8.109 -10.478   5.419
    5   1HB   MET   1           HB2      MET   1   8.859  -8.920   7.758
    6   2HB   MET   1           HB1      MET   1   9.472  -8.183   6.276
    7   1HG   MET   1           HG2      MET   1   6.979  -8.839   5.458
    8   2HG   MET   1           HG1      MET   1   6.669  -8.577   7.174
    9   1HE   MET   1           HE2      MET   1   6.917  -6.813   8.427
   10   2HE   MET   1           HE1      MET   1   7.060  -5.117   7.972
   11   3HE   MET   1           HE3      MET   1   5.591  -6.021   7.579
   12    H    LEU   2           HN       LEU   2  10.114 -12.241   4.992
   13    HA   LEU   2           HA       LEU   2  12.349 -10.543   3.949
   14   1HB   LEU   2           HB2      LEU   2  12.544 -12.631   5.765
   15   2HB   LEU   2           HB1      LEU   2  12.938 -13.400   4.228
   16    HG   LEU   2           HG       LEU   2  14.228 -10.837   4.341
   17   1HD1  LEU   2           HD13     LEU   2  14.014 -11.154   6.810
   18   2HD1  LEU   2           HD12     LEU   2  14.875 -12.686   6.656
   19   3HD1  LEU   2           HD11     LEU   2  15.691 -11.172   6.264
   20   1HD2  LEU   2           HD21     LEU   2  14.707 -13.364   3.359
   21   2HD2  LEU   2           HD23     LEU   2  15.897 -12.064   3.401
   22   3HD2  LEU   2           HD22     LEU   2  15.858 -13.266   4.690
   23    H    GLN   3           HN       GLN   3   9.766 -12.604   3.171
   24    HA   GLN   3           HA       GLN   3  10.845 -12.908   0.399
   25   1HB   GLN   3           HB2      GLN   3   9.798 -15.075   0.218
   26   2HB   GLN   3           HB1      GLN   3  10.765 -15.081   1.693
   27   1HG   GLN   3           HG2      GLN   3   8.219 -14.066   2.407
   28   2HG   GLN   3           HG1      GLN   3   7.928 -15.488   1.405
   29   1HE2  GLN   3           HE22     GLN   3   9.532 -15.929   5.122
   30   2HE2  GLN   3           HE21     GLN   3   9.239 -14.385   4.481
   31    H    LYS   4           HN       LYS   4   9.406 -10.676   0.997
   32    HA   LYS   4           HA       LYS   4   6.546 -11.128   0.546
   33   1HB   LYS   4           HB2      LYS   4   6.466  -8.623   0.454
   34   2HB   LYS   4           HB1      LYS   4   7.202  -9.245   1.931
   35   1HG   LYS   4           HG2      LYS   4   9.290  -9.019   0.030
   36   2HG   LYS   4           HG1      LYS   4   8.364  -7.521  -0.062
   37   1HD   LYS   4           HD2      LYS   4   8.854  -8.492   2.683
   38   2HD   LYS   4           HD1      LYS   4  10.306  -8.011   1.803
   39   1HE   LYS   4           HE2      LYS   4   9.007  -5.881   1.167
   40   2HE   LYS   4           HE1      LYS   4   7.867  -6.345   2.429
   41   1HZ   LYS   4           HZ1      LYS   4   9.923  -6.544   3.895
   42   2HZ   LYS   4           HZ3      LYS   4  10.726  -5.655   2.695
   43   3HZ   LYS   4           HZ2      LYS   4   9.392  -4.979   3.501
   44    H    LYS   5           HN       LYS   5   5.873  -9.133  -1.253
   45    HA   LYS   5           HA       LYS   5   7.396  -9.723  -3.738
   46   1HB   LYS   5           HB2      LYS   5   4.415 -10.150  -3.375
   47   2HB   LYS   5           HB1      LYS   5   5.238 -10.164  -4.935
   48   1HG   LYS   5           HG2      LYS   5   6.118 -12.230  -4.587
   49   2HG   LYS   5           HG1      LYS   5   6.490 -11.886  -2.897
   50   1HD   LYS   5           HD2      LYS   5   3.826 -11.964  -2.688
   51   2HD   LYS   5           HD1      LYS   5   4.000 -13.010  -4.099
   52   1HE   LYS   5           HE2      LYS   5   5.477 -14.498  -2.903
   53   2HE   LYS   5           HE1      LYS   5   5.562 -13.393  -1.532
   54   1HZ   LYS   5           HZ2      LYS   5   2.872 -14.069  -2.216
   55   2HZ   LYS   5           HZ1      LYS   5   3.792 -15.445  -1.836
   56   3HZ   LYS   5           HZ3      LYS   5   3.666 -14.176  -0.718
   57    H    ILE   6           HN       ILE   6   4.182  -8.338  -3.768
   58    HA   ILE   6           HA       ILE   6   5.080  -5.947  -5.053
   59    HB   ILE   6           HB       ILE   6   2.503  -6.927  -3.901
   60   1HG1  ILE   6           HG12     ILE   6   3.364  -7.244  -6.299
   61   2HG1  ILE   6           HG11     ILE   6   1.730  -6.604  -6.133
   62   1HG2  ILE   6           HG21     ILE   6   2.668  -4.598  -3.038
   63   2HG2  ILE   6           HG23     ILE   6   2.943  -4.028  -4.684
   64   3HG2  ILE   6           HG22     ILE   6   1.401  -4.766  -4.252
   65   1HD1  ILE   6           HD12     ILE   6   3.890  -4.573  -6.182
   66   2HD1  ILE   6           HD11     ILE   6   3.636  -5.451  -7.692
   67   3HD1  ILE   6           HD13     ILE   6   2.306  -4.554  -6.960
   68    H    GLU   7           HN       GLU   7   5.223  -6.891  -1.789
   69    HA   GLU   7           HA       GLU   7   4.761  -4.513  -0.357
   70   1HB   GLU   7           HB2      GLU   7   6.626  -6.835   0.008
   71   2HB   GLU   7           HB1      GLU   7   6.767  -5.442   1.075
   72   1HG   GLU   7           HG2      GLU   7   4.271  -5.651   1.500
   73   2HG   GLU   7           HG1      GLU   7   4.341  -7.200   0.657
   74    H    GLU   8           HN       GLU   8   8.006  -5.624  -1.424
   75    HA   GLU   8           HA       GLU   8   9.141  -2.986  -1.104
   76   1HB   GLU   8           HB2      GLU   8  11.042  -3.969  -2.488
   77   2HB   GLU   8           HB1      GLU   8  10.640  -4.887  -1.036
   78   1HG   GLU   8           HG2      GLU   8   8.976  -5.798  -3.191
   79   2HG   GLU   8           HG1      GLU   8  10.657  -5.812  -3.726
   80    H    ILE   9           HN       ILE   9   7.473  -4.645  -3.718
   81    HA   ILE   9           HA       ILE   9   8.247  -3.031  -5.912
   82    HB   ILE   9           HB       ILE   9   5.509  -4.135  -5.182
   83   1HG1  ILE   9           HG12     ILE   9   7.397  -5.759  -5.587
   84   2HG1  ILE   9           HG11     ILE   9   6.063  -5.917  -6.729
   85   1HG2  ILE   9           HG21     ILE   9   6.487  -2.567  -7.538
   86   2HG2  ILE   9           HG23     ILE   9   5.317  -3.857  -7.815
   87   3HG2  ILE   9           HG22     ILE   9   4.917  -2.520  -6.737
   88   1HD1  ILE   9           HD12     ILE   9   7.638  -4.063  -7.996
   89   2HD1  ILE   9           HD11     ILE   9   8.849  -5.064  -7.197
   90   3HD1  ILE   9           HD13     ILE   9   7.695  -5.795  -8.309
   91    H    ALA  10           HN       ALA  10   6.238  -2.475  -3.131
   92    HA   ALA  10           HA       ALA  10   5.419   0.227  -3.966
   93   1HB   ALA  10           HB2      ALA  10   3.957  -1.251  -2.529
   94   2HB   ALA  10           HB1      ALA  10   5.167  -1.123  -1.254
   95   3HB   ALA  10           HB3      ALA  10   4.304   0.315  -1.797
   96    H    ALA  11           HN       ALA  11   7.767  -1.403  -1.932
   97    HA   ALA  11           HA       ALA  11   8.768   0.782  -0.465
   98   1HB   ALA  11           HB1      ALA  11  10.289  -1.584  -1.561
   99   2HB   ALA  11           HB3      ALA  11  10.877  -0.492  -0.309
  100   3HB   ALA  11           HB2      ALA  11   9.470  -1.508  -0.001
  101    H    LYS  12           HN       LYS  12   9.054   0.033  -3.839
  102    HA   LYS  12           HA       LYS  12  11.348   1.873  -4.172
  103   1HB   LYS  12           HB2      LYS  12  11.745   0.838  -6.180
  104   2HB   LYS  12           HB1      LYS  12  10.826  -0.451  -5.411
  105   1HG   LYS  12           HG2      LYS  12   8.758   0.822  -6.450
  106   2HG   LYS  12           HG1      LYS  12   9.973   1.457  -7.559
  107   1HD   LYS  12           HD2      LYS  12  10.689  -1.114  -7.648
  108   2HD   LYS  12           HD1      LYS  12   8.995  -1.343  -7.216
  109   1HE   LYS  12           HE2      LYS  12  10.174  -0.152  -9.699
  110   2HE   LYS  12           HE1      LYS  12   8.830  -1.280  -9.531
  111   1HZ   LYS  12           HZ3      LYS  12   7.744   0.727  -8.310
  112   2HZ   LYS  12           HZ2      LYS  12   8.864   1.636  -9.207
  113   3HZ   LYS  12           HZ1      LYS  12   7.732   0.651 -10.004
  114    H    TYR  13           HN       TYR  13   7.923   1.996  -4.337
  115    HA   TYR  13           HA       TYR  13   7.613   3.986  -6.375
  116   1HB   TYR  13           HB2      TYR  13   5.929   3.201  -3.979
  117   2HB   TYR  13           HB1      TYR  13   5.461   4.538  -5.016
  118    HD1  TYR  13           HD1      TYR  13   7.103   1.334  -5.845
  119    HD2  TYR  13           HD2      TYR  13   3.578   3.753  -6.332
  120    HE1  TYR  13           HE1      TYR  13   6.238  -0.281  -7.490
  121    HE2  TYR  13           HE2      TYR  13   2.738   2.150  -7.986
  122    HH   TYR  13           HH       TYR  13   2.981  -0.049  -8.719
  123    H    LYS  14           HN       LYS  14   9.149   5.566  -6.181
  124    HA   LYS  14           HA       LYS  14  10.592   6.994  -4.745
  125   1HB   LYS  14           HB2      LYS  14   8.703   7.954  -6.522
  126   2HB   LYS  14           HB1      LYS  14   8.432   8.928  -5.076
  127   1HG   LYS  14           HG2      LYS  14  10.124  10.162  -6.052
  128   2HG   LYS  14           HG1      LYS  14  11.093   9.044  -5.092
  129   1HD   LYS  14           HD2      LYS  14  11.360   7.569  -7.033
  130   2HD   LYS  14           HD1      LYS  14  10.343   8.635  -8.002
  131   1HE   LYS  14           HE2      LYS  14  12.469   9.384  -8.593
  132   2HE   LYS  14           HE1      LYS  14  12.078  10.475  -7.264
  133   1HZ   LYS  14           HZ3      LYS  14  13.275   7.982  -6.444
  134   2HZ   LYS  14           HZ2      LYS  14  14.290   8.955  -7.398
  135   3HZ   LYS  14           HZ1      LYS  14  13.629   9.568  -5.958
  136    H    HIS  15           HN       HIS  15  10.904   6.980  -2.602
  137    HA   HIS  15           HA       HIS  15   9.184   6.620  -0.510
  138   1HB   HIS  15           HB2      HIS  15  10.744   8.530   0.630
  139   2HB   HIS  15           HB1      HIS  15  11.272   6.871   0.368
  140    HD1  HIS  15           HD1      HIS  15  13.746   7.588   0.034
  141    HD2  HIS  15           HD2      HIS  15  11.130   9.307  -2.720
  142    HE1  HIS  15           HE1      HIS  15  15.185   8.609  -1.781
  143    H    SER  16           HN       SER  16  10.165   9.965  -1.257
  144    HA   SER  16           HA       SER  16   8.837  11.801  -0.187
  145   1HB   SER  16           HB2      SER  16   7.419  12.246  -2.485
  146   2HB   SER  16           HB1      SER  16   9.113  12.667  -2.256
  147    HG   SER  16           HG       SER  16   9.462  11.310  -3.815
  148    H    VAL  17           HN       VAL  17   6.453  10.363  -2.376
  149    HA   VAL  17           HA       VAL  17   4.631   9.943  -0.063
  150    HB   VAL  17           HB       VAL  17   4.151  11.749  -2.434
  151   1HG1  VAL  17           HG11     VAL  17   2.223  10.024  -0.978
  152   2HG1  VAL  17           HG13     VAL  17   1.737  11.705  -1.200
  153   3HG1  VAL  17           HG12     VAL  17   2.121  10.705  -2.602
  154   1HG2  VAL  17           HG23     VAL  17   3.669  12.019   0.550
  155   2HG2  VAL  17           HG22     VAL  17   5.010  12.736  -0.341
  156   3HG2  VAL  17           HG21     VAL  17   3.358  13.270  -0.653
  157    H    VAL  18           HN       VAL  18   5.024   9.642  -3.597
  158    HA   VAL  18           HA       VAL  18   3.080   7.762  -4.202
  159    HB   VAL  18           HB       VAL  18   4.598   8.648  -5.894
  160   1HG1  VAL  18           HG13     VAL  18   6.640   6.981  -4.412
  161   2HG1  VAL  18           HG12     VAL  18   6.929   7.712  -5.988
  162   3HG1  VAL  18           HG11     VAL  18   6.640   8.734  -4.578
  163   1HG2  VAL  18           HG22     VAL  18   3.912   5.872  -5.575
  164   2HG2  VAL  18           HG21     VAL  18   4.059   6.799  -7.069
  165   3HG2  VAL  18           HG23     VAL  18   5.470   5.987  -6.392
  166    H    LYS  19           HN       LYS  19   5.949   7.273  -2.249
  167    HA   LYS  19           HA       LYS  19   5.983   4.395  -2.415
  168   1HB   LYS  19           HB2      LYS  19   7.964   5.167  -1.486
  169   2HB   LYS  19           HB1      LYS  19   7.165   6.462  -0.606
  170   1HG   LYS  19           HG2      LYS  19   6.888   5.164   1.245
  171   2HG   LYS  19           HG1      LYS  19   6.376   3.769   0.295
  172   1HD   LYS  19           HD2      LYS  19   8.408   2.839   0.466
  173   2HD   LYS  19           HD1      LYS  19   9.169   4.289  -0.188
  174   1HE   LYS  19           HE2      LYS  19   9.433   5.259   1.947
  175   2HE   LYS  19           HE1      LYS  19   8.231   4.192   2.674
  176   1HZ   LYS  19           HZ2      LYS  19   9.782   2.322   2.144
  177   2HZ   LYS  19           HZ1      LYS  19  10.956   3.483   1.748
  178   3HZ   LYS  19           HZ3      LYS  19  10.344   3.403   3.328
  179    H    LYS  20           HN       LYS  20   5.081   6.294   0.474
  180    HA   LYS  20           HA       LYS  20   3.563   4.295   1.716
  181   1HB   LYS  20           HB2      LYS  20   3.353   7.309   1.782
  182   2HB   LYS  20           HB1      LYS  20   2.276   6.295   2.743
  183   1HG   LYS  20           HG2      LYS  20   5.175   5.648   2.889
  184   2HG   LYS  20           HG1      LYS  20   4.665   7.151   3.660
  185   1HD   LYS  20           HD2      LYS  20   2.721   5.551   4.585
  186   2HD   LYS  20           HD1      LYS  20   3.980   4.336   4.359
  187   1HE   LYS  20           HE2      LYS  20   4.827   6.864   5.667
  188   2HE   LYS  20           HE1      LYS  20   3.761   5.822   6.609
  189   1HZ   LYS  20           HZ1      LYS  20   6.249   4.904   5.274
  190   2HZ   LYS  20           HZ3      LYS  20   6.147   5.331   6.912
  191   3HZ   LYS  20           HZ2      LYS  20   5.264   4.003   6.326
  192    H    CYS  21           HN       CYS  21   2.803   6.104  -1.109
  193    HA   CYS  21           HA       CYS  21  -0.099   5.858  -1.011
  194   1HB   CYS  21           HB2      CYS  21   1.778   6.127  -3.360
  195   2HB   CYS  21           HB1      CYS  21   0.029   6.305  -3.360
  196    H    CYS  22           HN       CYS  22   2.240   4.291  -3.225
  197    HA   CYS  22           HA       CYS  22   0.572   2.300  -4.150
  198   1HB   CYS  22           HB2      CYS  22   2.530   2.371  -5.242
  199   2HB   CYS  22           HB1      CYS  22   3.514   2.479  -3.789
  200    H    TYR  23           HN       TYR  23   2.444   2.444  -1.150
  201    HA   TYR  23           HA       TYR  23   1.879  -0.204  -0.227
  202   1HB   TYR  23           HB2      TYR  23   2.611   2.383   1.103
  203   2HB   TYR  23           HB1      TYR  23   2.013   1.059   2.102
  204    HD1  TYR  23           HD2      TYR  23   4.660   2.136  -0.202
  205    HD2  TYR  23           HD1      TYR  23   3.312  -0.980   2.410
  206    HE1  TYR  23           HE2      TYR  23   6.900   1.093  -0.310
  207    HE2  TYR  23           HE1      TYR  23   5.556  -2.042   2.297
  208    HH   TYR  23           HH       TYR  23   8.241  -0.560   1.380
  209    H    ASP  24           HN       ASP  24   0.244   2.908   0.138
  210    HA   ASP  24           HA       ASP  24  -1.952   2.184   1.724
  211   1HB   ASP  24           HB2      ASP  24  -1.519   4.251  -0.443
  212   2HB   ASP  24           HB1      ASP  24  -3.165   3.946   0.136
  213    H    GLY  25           HN       GLY  25  -1.448   1.766  -1.735
  214   1HA   GLY  25           HA2      GLY  25  -4.047   0.810  -2.415
  215   2HA   GLY  25           HA1      GLY  25  -2.565   0.493  -3.314
  216    H    ALA  26           HN       ALA  26  -1.009  -1.052  -1.929
  217    HA   ALA  26           HA       ALA  26  -2.527  -3.548  -1.688
  218   1HB   ALA  26           HB3      ALA  26   0.221  -2.774  -2.111
  219   2HB   ALA  26           HB2      ALA  26   0.123  -3.970  -0.819
  220   3HB   ALA  26           HB1      ALA  26  -0.550  -4.332  -2.408
  221    H    SER  27           HN       SER  27  -2.230  -1.115   0.476
  222    HA   SER  27           HA       SER  27  -1.741  -2.888   2.803
  223   1HB   SER  27           HB2      SER  27  -1.610   0.023   2.353
  224   2HB   SER  27           HB1      SER  27  -2.038  -0.521   3.961
  225    HG   SER  27           HG       SER  27   0.190  -1.494   2.501
  226    H    VAL  28           HN       VAL  28  -4.004  -0.287   1.924
  227    HA   VAL  28           HA       VAL  28  -5.945  -0.735   3.873
  228    HB   VAL  28           HB       VAL  28  -7.525   0.278   2.281
  229   1HG1  VAL  28           HG13     VAL  28  -4.852   1.302   2.873
  230   2HG1  VAL  28           HG12     VAL  28  -5.560   2.048   1.443
  231   3HG1  VAL  28           HG11     VAL  28  -6.411   2.117   2.985
  232   1HG2  VAL  28           HG21     VAL  28  -5.615  -0.876   0.380
  233   2HG2  VAL  28           HG23     VAL  28  -7.297  -0.410   0.130
  234   3HG2  VAL  28           HG22     VAL  28  -6.019   0.800   0.013
  235    H    ASN  29           HN       ASN  29  -8.200  -1.727   3.406
  236    HA   ASN  29           HA       ASN  29  -8.138  -4.479   3.261
  237   1HB   ASN  29           HB2      ASN  29 -10.159  -2.553   3.277
  238   2HB   ASN  29           HB1      ASN  29 -10.469  -3.483   1.814
  239   1HD2  ASN  29           HD22     ASN  29 -11.188  -5.153   5.432
  240   2HD2  ASN  29           HD21     ASN  29 -10.645  -3.551   5.284
  241    H    ASN  30           HN       ASN  30  -9.001  -5.918   1.443
  242    HA   ASN  30           HA       ASN  30  -7.312  -6.047  -0.735
  243   1HB   ASN  30           HB2      ASN  30  -9.200  -7.672  -0.026
  244   2HB   ASN  30           HB1      ASN  30 -10.240  -6.699  -1.067
  245   1HD2  ASN  30           HD22     ASN  30  -9.175  -8.535  -3.870
  246   2HD2  ASN  30           HD21     ASN  30 -10.456  -7.822  -3.014
  247    H    ASP  31           HN       ASP  31 -10.020  -3.869  -0.297
  248    HA   ASP  31           HA       ASP  31  -9.151  -2.379  -2.678
  249   1HB   ASP  31           HB2      ASP  31 -11.759  -3.851  -2.507
  250   2HB   ASP  31           HB1      ASP  31 -11.697  -2.312  -3.367
  251    H    GLU  32           HN       GLU  32  -9.678  -2.146   0.404
  252    HA   GLU  32           HA       GLU  32 -11.746  -0.323   0.911
  253   1HB   GLU  32           HB2      GLU  32 -10.633  -0.913   2.849
  254   2HB   GLU  32           HB1      GLU  32  -9.042  -0.756   2.112
  255   1HG   GLU  32           HG2      GLU  32  -8.915   1.490   2.571
  256   2HG   GLU  32           HG1      GLU  32 -10.644   1.738   2.328
  257    H    THR  33           HN       THR  33  -8.427   0.932   0.776
  258    HA   THR  33           HA       THR  33  -9.389   3.415  -0.435
  259    HB   THR  33           HB       THR  33  -6.508   2.598  -0.059
  260    HG1  THR  33           HG1      THR  33  -8.083   3.989   1.825
  261   1HG2  THR  33           HG22     THR  33  -7.923   4.967  -0.907
  262   2HG2  THR  33           HG21     THR  33  -6.964   5.302   0.536
  263   3HG2  THR  33           HG23     THR  33  -6.187   4.647  -0.905
  264    H    CYS  34           HN       CYS  34  -7.586   0.555  -1.454
  265    HA   CYS  34           HA       CYS  34  -6.453   1.142  -3.878
  266   1HB   CYS  34           HB2      CYS  34  -7.063  -1.163  -2.758
  267   2HB   CYS  34           HB1      CYS  34  -8.475  -1.082  -3.810
  268    H    GLU  35           HN       GLU  35  -9.916   1.020  -3.201
  269    HA   GLU  35           HA       GLU  35 -10.594   1.660  -6.005
  270   1HB   GLU  35           HB2      GLU  35 -11.983   0.044  -4.772
  271   2HB   GLU  35           HB1      GLU  35 -12.375   1.285  -3.583
  272   1HG   GLU  35           HG2      GLU  35 -13.490   2.630  -5.267
  273   2HG   GLU  35           HG1      GLU  35 -12.972   1.529  -6.545
  274    H    GLN  36           HN       GLN  36 -11.809   3.094  -2.952
  275    HA   GLN  36           HA       GLN  36 -12.743   5.493  -3.892
  276   1HB   GLN  36           HB2      GLN  36 -11.222   4.870  -1.368
  277   2HB   GLN  36           HB1      GLN  36 -11.800   6.505  -1.692
  278   1HG   GLN  36           HG2      GLN  36 -13.972   5.941  -1.334
  279   2HG   GLN  36           HG1      GLN  36 -13.804   4.392  -2.158
  280   1HE2  GLN  36           HE22     GLN  36 -14.304   3.407   1.329
  281   2HE2  GLN  36           HE21     GLN  36 -15.215   3.963   0.009
  282    H    ARG  37           HN       ARG  37  -9.399   4.543  -3.754
  283    HA   ARG  37           HA       ARG  37  -8.520   7.267  -4.491
  284   1HB   ARG  37           HB2      ARG  37  -7.298   4.949  -3.180
  285   2HB   ARG  37           HB1      ARG  37  -6.263   5.668  -4.412
  286   1HG   ARG  37           HG2      ARG  37  -6.099   6.604  -2.006
  287   2HG   ARG  37           HG1      ARG  37  -6.231   7.761  -3.326
  288   1HD   ARG  37           HD2      ARG  37  -8.473   8.256  -2.839
  289   2HD   ARG  37           HD1      ARG  37  -8.712   6.747  -1.958
  290    HE   ARG  37           HE       ARG  37  -6.805   8.092  -0.464
  291   1HH1  ARG  37           HH21     ARG  37  -9.941   8.792  -1.733
  292   2HH1  ARG  37           HH22     ARG  37 -10.363   9.868  -0.444
  293   1HH2  ARG  37           HH12     ARG  37  -7.347   9.495   1.221
  294   2HH2  ARG  37           HH11     ARG  37  -8.898  10.266   1.224
  295    H    ALA  38           HN       ALA  38  -8.342   3.886  -5.734
  296    HA   ALA  38           HA       ALA  38  -6.996   4.650  -8.166
  297   1HB   ALA  38           HB3      ALA  38  -8.795   2.270  -7.617
  298   2HB   ALA  38           HB2      ALA  38  -7.738   2.445  -9.017
  299   3HB   ALA  38           HB1      ALA  38  -7.045   2.315  -7.400
  300    H    ALA  39           HN       ALA  39 -10.431   3.792  -7.623
  301    HA   ALA  39           HA       ALA  39 -11.186   4.907 -10.218
  302   1HB   ALA  39           HB3      ALA  39 -12.690   3.677  -7.913
  303   2HB   ALA  39           HB2      ALA  39 -13.553   4.486  -9.222
  304   3HB   ALA  39           HB1      ALA  39 -12.536   3.088  -9.569
  305    H    ARG  40           HN       ARG  40 -12.980   5.628  -7.265
  306    HA   ARG  40           HA       ARG  40 -13.739   8.216  -7.881
  307   1HB   ARG  40           HB2      ARG  40 -13.702   6.619  -5.545
  308   2HB   ARG  40           HB1      ARG  40 -12.966   8.160  -5.099
  309   1HG   ARG  40           HG2      ARG  40 -14.900   9.340  -5.441
  310   2HG   ARG  40           HG1      ARG  40 -15.411   8.311  -6.780
  311   1HD   ARG  40           HD2      ARG  40 -15.320   7.049  -4.087
  312   2HD   ARG  40           HD1      ARG  40 -16.600   8.228  -4.366
  313    HE   ARG  40           HE       ARG  40 -16.709   6.582  -6.597
  314   1HH1  ARG  40           HH21     ARG  40 -16.764   6.169  -3.167
  315   2HH1  ARG  40           HH22     ARG  40 -17.754   4.750  -3.226
  316   1HH2  ARG  40           HH12     ARG  40 -18.000   4.732  -6.683
  317   2HH2  ARG  40           HH11     ARG  40 -18.453   3.938  -5.212
  318    H    ILE  41           HN       ILE  41 -12.284   9.614  -8.832
  319    HA   ILE  41           HA       ILE  41 -10.008  10.500  -7.133
  320    HB   ILE  41           HB       ILE  41  -9.860   9.444  -9.955
  321   1HG1  ILE  41           HG12     ILE  41  -7.912   9.150  -7.664
  322   2HG1  ILE  41           HG11     ILE  41  -9.321   8.098  -7.830
  323   1HG2  ILE  41           HG23     ILE  41  -8.522  11.808  -8.914
  324   2HG2  ILE  41           HG22     ILE  41  -7.362  10.557  -9.352
  325   3HG2  ILE  41           HG21     ILE  41  -8.512  11.153 -10.550
  326   1HD1  ILE  41           HD12     ILE  41  -8.556   7.559 -10.165
  327   2HD1  ILE  41           HD11     ILE  41  -7.079   8.462  -9.835
  328   3HD1  ILE  41           HD13     ILE  41  -7.448   7.007  -8.911
  329    H    SER  42           HN       SER  42 -11.479  12.364  -6.811
  330    HA   SER  42           HA       SER  42 -12.618  13.972  -8.795
  331   1HB   SER  42           HB2      SER  42 -11.178  14.917  -6.294
  332   2HB   SER  42           HB1      SER  42 -12.318  15.874  -7.237
  333    HG   SER  42           HG       SER  42 -12.761  13.580  -5.657
  334    H    LEU  43           HN       LEU  43  -9.406  14.587  -7.342
  335    HA   LEU  43           HA       LEU  43  -8.536  15.636 -10.006
  336   1HB   LEU  43           HB2      LEU  43  -6.779  16.809  -8.319
  337   2HB   LEU  43           HB1      LEU  43  -8.307  17.561  -8.774
  338    HG   LEU  43           HG       LEU  43  -9.354  16.440  -6.764
  339   1HD1  LEU  43           HD11     LEU  43  -6.829  15.133  -6.725
  340   2HD1  LEU  43           HD13     LEU  43  -6.916  16.131  -5.273
  341   3HD1  LEU  43           HD12     LEU  43  -8.167  14.930  -5.594
  342   1HD2  LEU  43           HD22     LEU  43  -7.138  18.472  -6.535
  343   2HD2  LEU  43           HD21     LEU  43  -8.881  18.731  -6.475
  344   3HD2  LEU  43           HD23     LEU  43  -8.055  17.977  -5.112
  345    H    GLY  44           HN       GLY  44  -8.070  13.295  -7.593
  346   1HA   GLY  44           HA2      GLY  44  -6.518  11.560  -7.398
  347   2HA   GLY  44           HA1      GLY  44  -5.961  11.969  -9.020
  348    HA   PRO  45           HA       PRO  45  -3.618  14.635  -5.469
  349   1HB   PRO  45           HB2      PRO  45  -3.027  12.438  -3.706
  350   2HB   PRO  45           HB1      PRO  45  -3.862  13.949  -3.331
  351   1HG   PRO  45           HG2      PRO  45  -4.978  11.315  -3.616
  352   2HG   PRO  45           HG1      PRO  45  -5.791  12.811  -3.147
  353   1HD   PRO  45           HD2      PRO  45  -6.150  11.398  -5.550
  354   2HD   PRO  45           HD1      PRO  45  -6.729  13.031  -5.189
  355    H    ARG  46           HN       ARG  46  -2.802  11.159  -5.336
  356    HA   ARG  46           HA       ARG  46  -0.907  11.161  -7.450
  357   1HB   ARG  46           HB2      ARG  46   0.034  12.305  -4.911
  358   2HB   ARG  46           HB1      ARG  46   1.040  10.980  -5.501
  359   1HG   ARG  46           HG2      ARG  46   1.798  12.183  -7.272
  360   2HG   ARG  46           HG1      ARG  46   0.211  12.882  -7.593
  361   1HD   ARG  46           HD2      ARG  46   1.168  14.798  -6.813
  362   2HD   ARG  46           HD1      ARG  46   0.827  14.096  -5.231
  363    HE   ARG  46           HE       ARG  46   3.307  13.056  -5.897
  364   1HH1  ARG  46           HH21     ARG  46   1.880  16.195  -5.714
  365   2HH1  ARG  46           HH22     ARG  46   3.361  16.985  -5.292
  366   1HH2  ARG  46           HH12     ARG  46   5.244  14.075  -5.347
  367   2HH2  ARG  46           HH11     ARG  46   5.264  15.787  -5.084
  368    H    CYS  47           HN       CYS  47  -1.614   9.951  -4.175
  369    HA   CYS  47           HA       CYS  47  -0.356   7.423  -4.532
  370   1HB   CYS  47           HB2      CYS  47  -2.810   7.917  -2.819
  371   2HB   CYS  47           HB1      CYS  47  -1.646   6.630  -2.622
  372    H    ILE  48           HN       ILE  48  -3.359   8.706  -5.722
  373    HA   ILE  48           HA       ILE  48  -4.545   6.141  -6.204
  374    HB   ILE  48           HB       ILE  48  -6.041   7.368  -7.753
  375   1HG1  ILE  48           HG12     ILE  48  -5.580   9.988  -7.624
  376   2HG1  ILE  48           HG11     ILE  48  -3.912   9.452  -7.481
  377   1HG2  ILE  48           HG22     ILE  48  -5.445   8.825  -5.168
  378   2HG2  ILE  48           HG21     ILE  48  -6.935   8.987  -6.096
  379   3HG2  ILE  48           HG23     ILE  48  -6.520   7.440  -5.359
  380   1HD1  ILE  48           HD13     ILE  48  -5.102   7.902  -9.542
  381   2HD1  ILE  48           HD12     ILE  48  -5.558   9.579  -9.833
  382   3HD1  ILE  48           HD11     ILE  48  -3.856   9.138  -9.710
  383    H    LYS  49           HN       LYS  49  -2.753   8.368  -8.410
  384    HA   LYS  49           HA       LYS  49  -2.714   6.534 -10.599
  385   1HB   LYS  49           HB2      LYS  49  -1.583   9.085  -9.985
  386   2HB   LYS  49           HB1      LYS  49  -0.287   8.046 -10.579
  387   1HG   LYS  49           HG2      LYS  49  -1.197   7.872 -12.672
  388   2HG   LYS  49           HG1      LYS  49  -2.853   7.904 -12.065
  389   1HD   LYS  49           HD2      LYS  49  -2.708  10.314 -11.686
  390   2HD   LYS  49           HD1      LYS  49  -1.015  10.314 -12.182
  391   1HE   LYS  49           HE2      LYS  49  -2.948   9.126 -14.102
  392   2HE   LYS  49           HE1      LYS  49  -3.033  10.875 -13.887
  393   1HZ   LYS  49           HZ1      LYS  49  -0.339  10.099 -14.053
  394   2HZ   LYS  49           HZ3      LYS  49  -1.172   9.417 -15.363
  395   3HZ   LYS  49           HZ2      LYS  49  -1.221  11.097 -15.110
  396    H    ALA  50           HN       ALA  50  -0.039   7.294  -8.331
  397    HA   ALA  50           HA       ALA  50   1.718   5.208  -9.054
  398   1HB   ALA  50           HB2      ALA  50   2.237   6.978  -7.351
  399   2HB   ALA  50           HB1      ALA  50   1.170   6.144  -6.222
  400   3HB   ALA  50           HB3      ALA  50   2.632   5.349  -6.802
  401    H    PHE  51           HN       PHE  51  -0.429   5.204  -6.279
  402    HA   PHE  51           HA       PHE  51  -0.110   2.445  -5.873
  403   1HB   PHE  51           HB2      PHE  51  -1.045   2.929  -3.950
  404   2HB   PHE  51           HB1      PHE  51  -1.102   4.582  -4.444
  405    HD1  PHE  51           HD1      PHE  51  -3.459   4.058  -6.516
  406    HD2  PHE  51           HD2      PHE  51  -2.811   3.066  -2.417
  407    HE1  PHE  51           HE1      PHE  51  -5.897   3.919  -6.160
  408    HE2  PHE  51           HE2      PHE  51  -5.248   2.955  -2.054
  409    HZ   PHE  51           HZ       PHE  51  -6.796   3.367  -3.937
  410    H    THR  52           HN       THR  52  -1.884   4.002  -8.272
  411    HA   THR  52           HA       THR  52  -4.113   2.114  -8.399
  412    HB   THR  52           HB       THR  52  -3.125   4.364 -10.112
  413    HG1  THR  52           HG1      THR  52  -5.029   4.021  -8.459
  414   1HG2  THR  52           HG21     THR  52  -4.642   1.973 -11.141
  415   2HG2  THR  52           HG23     THR  52  -4.924   3.572 -11.829
  416   3HG2  THR  52           HG22     THR  52  -3.316   2.851 -11.902
  417    H    GLU  53           HN       GLU  53  -1.222   2.691 -10.452
  418    HA   GLU  53           HA       GLU  53  -1.511   0.130 -11.794
  419   1HB   GLU  53           HB2      GLU  53   1.104   1.614 -11.414
  420   2HB   GLU  53           HB1      GLU  53   0.631   0.566 -12.753
  421   1HG   GLU  53           HG2      GLU  53  -0.152   2.356 -13.858
  422   2HG   GLU  53           HG1      GLU  53  -1.329   2.615 -12.571
  423    H    CYS  54           HN       CYS  54  -0.065   1.192  -8.810
  424    HA   CYS  54           HA       CYS  54   1.416  -1.264  -8.322
  425   1HB   CYS  54           HB2      CYS  54   2.232   0.559  -7.129
  426   2HB   CYS  54           HB1      CYS  54   0.627   1.160  -6.726
  427    H    CYS  55           HN       CYS  55  -1.170  -0.003  -6.250
  428    HA   CYS  55           HA       CYS  55  -2.094  -2.273  -5.070
  429   1HB   CYS  55           HB2      CYS  55  -3.064   0.124  -4.972
  430   2HB   CYS  55           HB1      CYS  55  -4.116  -0.381  -6.286
  431    H    VAL  56           HN       VAL  56  -3.005  -1.283  -8.399
  432    HA   VAL  56           HA       VAL  56  -4.751  -3.518  -8.819
  433    HB   VAL  56           HB       VAL  56  -4.643  -2.992 -11.192
  434   1HG1  VAL  56           HG12     VAL  56  -4.990  -0.923  -9.122
  435   2HG1  VAL  56           HG11     VAL  56  -4.741  -0.289 -10.749
  436   3HG1  VAL  56           HG13     VAL  56  -6.071  -1.403 -10.430
  437   1HG2  VAL  56           HG22     VAL  56  -2.175  -1.494 -10.354
  438   2HG2  VAL  56           HG21     VAL  56  -2.382  -2.617 -11.694
  439   3HG2  VAL  56           HG23     VAL  56  -3.069  -0.996 -11.788
  440    H    VAL  57           HN       VAL  57  -1.319  -3.053  -9.930
  441    HA   VAL  57           HA       VAL  57  -1.015  -5.618 -11.035
  442    HB   VAL  57           HB       VAL  57   0.819  -4.019 -11.138
  443   1HG1  VAL  57           HG11     VAL  57   0.668  -4.262  -8.157
  444   2HG1  VAL  57           HG13     VAL  57   2.225  -3.922  -8.906
  445   3HG1  VAL  57           HG12     VAL  57   0.871  -2.822  -9.149
  446   1HG2  VAL  57           HG22     VAL  57   1.085  -6.700 -10.778
  447   2HG2  VAL  57           HG21     VAL  57   2.448  -5.630 -11.108
  448   3HG2  VAL  57           HG23     VAL  57   2.081  -6.106  -9.450
  449    H    ALA  58           HN       ALA  58  -1.073  -4.664  -7.636
  450    HA   ALA  58           HA       ALA  58  -0.213  -7.170  -6.559
  451   1HB   ALA  58           HB1      ALA  58  -1.313  -4.698  -5.558
  452   2HB   ALA  58           HB3      ALA  58  -2.130  -6.062  -4.795
  453   3HB   ALA  58           HB2      ALA  58  -0.375  -5.915  -4.693
  454    H    SER  59           HN       SER  59  -3.498  -5.852  -6.965
  455    HA   SER  59           HA       SER  59  -4.885  -8.260  -6.314
  456   1HB   SER  59           HB2      SER  59  -6.233  -6.704  -8.371
  457   2HB   SER  59           HB1      SER  59  -6.720  -7.003  -6.703
  458    HG   SER  59           HG       SER  59  -4.988  -5.008  -7.721
  459    H    GLN  60           HN       GLN  60  -4.702  -6.853  -9.582
  460    HA   GLN  60           HA       GLN  60  -5.489  -8.989 -11.087
  461   1HB   GLN  60           HB2      GLN  60  -4.333  -6.623 -11.704
  462   2HB   GLN  60           HB1      GLN  60  -3.004  -7.713 -12.098
  463   1HG   GLN  60           HG2      GLN  60  -4.281  -7.537 -14.101
  464   2HG   GLN  60           HG1      GLN  60  -4.724  -9.095 -13.403
  465   1HE2  GLN  60           HE22     GLN  60  -7.456  -6.030 -13.027
  466   2HE2  GLN  60           HE21     GLN  60  -5.800  -5.662 -12.988
  467    H    LEU  61           HN       LEU  61  -2.274  -8.577  -9.646
  468    HA   LEU  61           HA       LEU  61  -1.156 -11.009 -10.779
  469   1HB   LEU  61           HB2      LEU  61  -0.403  -9.222  -8.472
  470   2HB   LEU  61           HB1      LEU  61   0.493 -10.679  -8.831
  471    HG   LEU  61           HG       LEU  61   1.134  -8.326  -9.792
  472   1HD1  LEU  61           HD11     LEU  61   2.348 -10.478 -10.088
  473   2HD1  LEU  61           HD13     LEU  61   1.319 -10.821 -11.479
  474   3HD1  LEU  61           HD12     LEU  61   2.421  -9.446 -11.515
  475   1HD2  LEU  61           HD22     LEU  61  -1.051  -8.079 -11.018
  476   2HD2  LEU  61           HD21     LEU  61   0.355  -7.975 -12.074
  477   3HD2  LEU  61           HD23     LEU  61  -0.589  -9.462 -12.007
  478    H    ARG  62           HN       ARG  62  -1.219 -10.403  -7.355
  479    HA   ARG  62           HA       ARG  62  -1.252 -12.824  -6.232
  480   1HB   ARG  62           HB2      ARG  62  -2.381 -10.321  -5.463
  481   2HB   ARG  62           HB1      ARG  62  -3.514 -11.590  -4.992
  482   1HG   ARG  62           HG2      ARG  62  -1.374 -12.809  -4.102
  483   2HG   ARG  62           HG1      ARG  62  -0.656 -11.198  -4.142
  484   1HD   ARG  62           HD2      ARG  62  -3.271 -11.035  -2.969
  485   2HD   ARG  62           HD1      ARG  62  -2.353 -12.291  -2.143
  486    HE   ARG  62           HE       ARG  62  -1.995  -9.513  -1.767
  487   1HH1  ARG  62           HH21     ARG  62  -0.080 -12.313  -2.477
  488   2HH1  ARG  62           HH22     ARG  62   1.404 -11.557  -2.017
  489   1HH2  ARG  62           HH12     ARG  62  -0.067  -8.548  -1.147
  490   2HH2  ARG  62           HH11     ARG  62   1.414  -9.440  -1.258
  491    H    ALA  63           HN       ALA  63  -4.338 -11.496  -7.484
  492    HA   ALA  63           HA       ALA  63  -6.045 -13.613  -6.985
  493   1HB   ALA  63           HB2      ALA  63  -6.124 -11.381  -8.630
  494   2HB   ALA  63           HB1      ALA  63  -6.273 -12.719  -9.769
  495   3HB   ALA  63           HB3      ALA  63  -7.424 -12.559  -8.443
  496    H    ASN  64           HN       ASN  64  -4.165 -13.340 -10.029
  497    HA   ASN  64           HA       ASN  64  -3.736 -16.281  -9.932
  498   1HB   ASN  64           HB2      ASN  64  -5.619 -15.007 -11.646
  499   2HB   ASN  64           HB1      ASN  64  -4.258 -15.514 -12.649
  500   1HD2  ASN  64           HD22     ASN  64  -6.724 -18.368 -12.134
  501   2HD2  ASN  64           HD21     ASN  64  -6.949 -16.755 -12.613
  502    H    ILE  65           HN       ILE  65  -1.743 -14.552  -9.317
  503    HA   ILE  65           HA       ILE  65  -0.253 -13.380 -11.397
  504    HB   ILE  65           HB       ILE  65   1.654 -14.675  -9.706
  505   1HG1  ILE  65           HG12     ILE  65  -0.661 -13.421  -8.195
  506   2HG1  ILE  65           HG11     ILE  65  -0.242 -15.135  -8.169
  507   1HG2  ILE  65           HG23     ILE  65   0.576 -11.931 -10.198
  508   2HG2  ILE  65           HG22     ILE  65   1.616 -12.173  -8.795
  509   3HG2  ILE  65           HG21     ILE  65   2.216 -12.543 -10.411
  510   1HD1  ILE  65           HD11     ILE  65   2.165 -14.036  -7.543
  511   2HD1  ILE  65           HD13     ILE  65   1.077 -12.850  -6.824
  512   3HD1  ILE  65           HD12     ILE  65   0.983 -14.541  -6.336
  513    H    SER  66           HN       SER  66   0.406 -14.271 -13.260
  514    HA   SER  66           HA       SER  66   1.963 -16.707 -13.329
  515   1HB   SER  66           HB2      SER  66   0.394 -18.058 -14.670
  516   2HB   SER  66           HB1      SER  66  -0.285 -17.703 -13.084
  517    HG   SER  66           HG       SER  66  -1.765 -16.494 -13.991
  518    H    HIS  67           HN       HIS  67  -0.036 -14.393 -15.133
  519    HA   HIS  67           HA       HIS  67   2.199 -13.934 -16.983
  520   1HB   HIS  67           HB2      HIS  67   0.781 -15.932 -17.846
  521   2HB   HIS  67           HB1      HIS  67  -0.443 -14.716 -18.207
  522    HD1  HIS  67           HD1      HIS  67  -0.010 -15.246 -20.786
  523    HD2  HIS  67           HD2      HIS  67   3.217 -13.549 -18.764
  524    HE1  HIS  67           HE1      HIS  67   1.602 -14.434 -22.562
  525    H    LYS  68           HN       LYS  68   1.799 -11.883 -15.704
  526    HA   LYS  68           HA       LYS  68   0.356  -9.986 -17.316
  527   1HB   LYS  68           HB2      LYS  68  -1.543 -11.135 -16.106
  528   2HB   LYS  68           HB1      LYS  68  -0.862 -10.529 -14.595
  529   1HG   LYS  68           HG2      LYS  68  -2.045  -8.641 -14.941
  530   2HG   LYS  68           HG1      LYS  68  -0.933  -8.289 -16.263
  531   1HD   LYS  68           HD2      LYS  68  -3.106 -10.204 -16.895
  532   2HD   LYS  68           HD1      LYS  68  -3.613  -8.539 -16.605
  533   1HE   LYS  68           HE2      LYS  68  -2.936  -8.004 -18.681
  534   2HE   LYS  68           HE1      LYS  68  -1.283  -8.409 -18.216
  535   1HZ   LYS  68           HZ2      LYS  68  -3.273 -10.416 -19.115
  536   2HZ   LYS  68           HZ1      LYS  68  -2.157  -9.669 -20.157
  537   3HZ   LYS  68           HZ3      LYS  68  -1.605 -10.645 -18.885
  538    H    ASP  69           HN       ASP  69   1.035  -7.900 -16.815
  539    HA   ASP  69           HA       ASP  69   2.455  -7.469 -14.239
  540   1HB   ASP  69           HB2      ASP  69   4.225  -6.206 -15.681
  541   2HB   ASP  69           HB1      ASP  69   4.328  -7.963 -15.576
  542    H    MET  70           HN       MET  70   3.116  -4.972 -14.215
  543    HA   MET  70           HA       MET  70   1.644  -3.107 -15.788
  544   1HB   MET  70           HB2      MET  70  -0.085  -4.502 -14.200
  545   2HB   MET  70           HB1      MET  70   0.316  -3.145 -13.145
  546   1HG   MET  70           HG2      MET  70  -0.844  -1.681 -14.421
  547   2HG   MET  70           HG1      MET  70  -0.160  -2.322 -15.915
  548   1HE   MET  70           HE2      MET  70  -1.757  -2.448 -17.456
  549   2HE   MET  70           HE1      MET  70  -1.351  -4.162 -17.452
  550   3HE   MET  70           HE3      MET  70  -3.042  -3.649 -17.553
  551    H    CYS  71           HN       CYS  71   2.069  -3.363 -12.250
  552    HA   CYS  71           HA       CYS  71   4.323  -1.499 -12.291
  553   1HB   CYS  71           HB2      CYS  71   1.548  -0.635 -11.698
  554   2HB   CYS  71           HB1      CYS  71   2.782  -0.060 -10.579
  555   1H    CYS  72           HN3      CYS  72   4.143   4.342 -12.066
  556   2H    CYS  72           HN2      CYS  72   2.766   3.375 -12.299
  557   3H    CYS  72           HN1      CYS  72   2.603   4.960 -11.708
  558    HA   CYS  72           HA       CYS  72   2.340   3.535  -9.855
  559   1HB   CYS  72           HB2      CYS  72   4.754   2.221  -9.537
  560   2HB   CYS  72           HB1      CYS  72   3.222   1.492  -9.978
  561    H    LEU  73           HN       LEU  73   5.810   4.017 -10.522
  562    HA   LEU  73           HA       LEU  73   6.513   5.041  -8.035
  563   1HB   LEU  73           HB2      LEU  73   8.391   6.214  -9.247
  564   2HB   LEU  73           HB1      LEU  73   8.223   4.507  -9.656
  565    HG   LEU  73           HG       LEU  73   6.522   5.797 -11.449
  566   1HD1  LEU  73           HD11     LEU  73   8.678   7.587 -10.593
  567   2HD1  LEU  73           HD13     LEU  73   8.685   7.291 -12.332
  568   3HD1  LEU  73           HD12     LEU  73   7.241   7.940 -11.554
  569   1HD2  LEU  73           HD21     LEU  73   8.771   4.088 -11.455
  570   2HD2  LEU  73           HD23     LEU  73   7.700   4.440 -12.812
  571   3HD2  LEU  73           HD22     LEU  73   9.160   5.399 -12.568
  572    H    GLY  74           HN       GLY  74   7.465   7.535  -8.016
  573   1HA   GLY  74           HA2      GLY  74   5.537   9.443  -9.139
  574   2HA   GLY  74           HA1      GLY  74   5.458   9.271  -7.388
  575   1HN   DAR  75           HN       ARG  75   6.314  11.606  -9.010
  576    HA   DAR  75           HA       ARG  75   9.143  11.931  -8.958
  577   1HB   DAR  75           HB1      ARG  75   9.177  11.710  -6.603
  578   2HB   DAR  75           HB2      ARG  75   7.667  12.600  -6.410
  579   1HG   DAR  75           HG1      ARG  75   8.707  14.680  -6.853
  580   2HG   DAR  75           HG2      ARG  75  10.125  13.918  -7.570
  581   1HD   DAR  75           HD1      ARG  75  10.100  12.823  -5.039
  582   2HD   DAR  75           HD2      ARG  75   9.499  14.451  -4.744
  583    HNE  DAR  75           HE       ARG  75  11.690  15.173  -4.964
  584   1HH1  DAR  75           HH11     ARG  75  13.643  15.409  -6.042
  585   2HH1  DAR  75           HH12     ARG  75  14.068  14.297  -7.300
  586   1HH2  DAR  75           HH21     ARG  75  11.168  12.429  -7.011
  587   2HH2  DAR  75           HH22     ARG  75  12.668  12.622  -7.850
   
  No H/Q in entry =         587
  Start of MODEL    6
    1   1H    MET   1           HN3      MET   1  16.667 -10.677  -5.772
    2   2H    MET   1           HN2      MET   1  15.677  -9.388  -6.268
    3   3H    MET   1           HN1      MET   1  17.245  -9.552  -6.903
    4    HA   MET   1           HA       MET   1  18.247  -9.027  -4.831
    5   1HB   MET   1           HB2      MET   1  15.990  -7.230  -5.711
    6   2HB   MET   1           HB1      MET   1  17.043  -6.775  -4.370
    7   1HG   MET   1           HG2      MET   1  18.411  -5.926  -5.966
    8   2HG   MET   1           HG1      MET   1  18.848  -7.604  -6.285
    9   1HE   MET   1           HE3      MET   1  19.678  -6.794  -8.266
   10   2HE   MET   1           HE2      MET   1  18.800  -6.845  -9.793
   11   3HE   MET   1           HE1      MET   1  18.938  -5.324  -8.916
   12    H    LEU   2           HN       LEU   2  14.784  -9.617  -4.614
   13    HA   LEU   2           HA       LEU   2  15.123 -10.372  -1.788
   14   1HB   LEU   2           HB2      LEU   2  14.103  -7.801  -2.516
   15   2HB   LEU   2           HB1      LEU   2  12.768  -8.755  -1.870
   16    HG   LEU   2           HG       LEU   2  15.191  -9.138  -0.308
   17   1HD1  LEU   2           HD12     LEU   2  15.041  -6.580  -1.308
   18   2HD1  LEU   2           HD11     LEU   2  14.151  -6.431   0.207
   19   3HD1  LEU   2           HD13     LEU   2  15.814  -7.017   0.214
   20   1HD2  LEU   2           HD23     LEU   2  12.735  -9.613   0.258
   21   2HD2  LEU   2           HD22     LEU   2  13.680  -8.809   1.511
   22   3HD2  LEU   2           HD21     LEU   2  12.566  -7.876   0.512
   23    H    GLN   3           HN       GLN   3  12.825 -11.129  -0.961
   24    HA   GLN   3           HA       GLN   3  11.683 -12.794  -3.149
   25   1HB   GLN   3           HB2      GLN   3  12.562 -13.738  -0.883
   26   2HB   GLN   3           HB1      GLN   3  11.049 -13.119  -0.221
   27   1HG   GLN   3           HG2      GLN   3  10.002 -14.958  -0.979
   28   2HG   GLN   3           HG1      GLN   3  10.390 -14.465  -2.628
   29   1HE2  GLN   3           HE22     GLN   3  12.825 -16.971  -3.055
   30   2HE2  GLN   3           HE21     GLN   3  11.899 -15.736  -3.759
   31    H    LYS   4           HN       LYS   4  10.889 -10.247  -0.891
   32    HA   LYS   4           HA       LYS   4   8.131 -10.337  -0.690
   33   1HB   LYS   4           HB2      LYS   4  10.108  -8.127  -0.918
   34   2HB   LYS   4           HB1      LYS   4   8.418  -7.699  -1.187
   35   1HG   LYS   4           HG2      LYS   4   7.769  -8.379   0.968
   36   2HG   LYS   4           HG1      LYS   4   9.212  -9.369   1.189
   37   1HD   LYS   4           HD2      LYS   4  10.211  -6.803   0.730
   38   2HD   LYS   4           HD1      LYS   4   8.813  -6.543   1.772
   39   1HE   LYS   4           HE2      LYS   4  10.918  -8.633   2.362
   40   2HE   LYS   4           HE1      LYS   4  11.014  -6.984   2.979
   41   1HZ   LYS   4           HZ2      LYS   4   8.752  -7.333   3.916
   42   2HZ   LYS   4           HZ1      LYS   4   8.874  -8.973   3.487
   43   3HZ   LYS   4           HZ3      LYS   4   9.953  -8.311   4.616
   44    H    LYS   5           HN       LYS   5   6.386  -9.937  -2.054
   45    HA   LYS   5           HA       LYS   5   6.977 -10.008  -4.942
   46   1HB   LYS   5           HB2      LYS   5   4.342 -10.086  -3.440
   47   2HB   LYS   5           HB1      LYS   5   4.530 -10.327  -5.177
   48   1HG   LYS   5           HG2      LYS   5   6.224 -12.183  -4.511
   49   2HG   LYS   5           HG1      LYS   5   5.465 -12.093  -2.922
   50   1HD   LYS   5           HD2      LYS   5   3.230 -12.381  -4.109
   51   2HD   LYS   5           HD1      LYS   5   4.152 -12.779  -5.560
   52   1HE   LYS   5           HE2      LYS   5   4.599 -14.857  -4.807
   53   2HE   LYS   5           HE1      LYS   5   5.126 -14.244  -3.239
   54   1HZ   LYS   5           HZ1      LYS   5   2.352 -13.933  -3.421
   55   2HZ   LYS   5           HZ3      LYS   5   2.721 -15.523  -3.879
   56   3HZ   LYS   5           HZ2      LYS   5   3.231 -14.935  -2.369
   57    H    ILE   6           HN       ILE   6   4.355  -8.207  -3.345
   58    HA   ILE   6           HA       ILE   6   5.097  -5.871  -5.027
   59    HB   ILE   6           HB       ILE   6   2.564  -6.820  -3.730
   60   1HG1  ILE   6           HG12     ILE   6   3.225  -7.187  -6.171
   61   2HG1  ILE   6           HG11     ILE   6   1.655  -6.426  -5.913
   62   1HG2  ILE   6           HG23     ILE   6   2.873  -4.501  -2.885
   63   2HG2  ILE   6           HG22     ILE   6   3.066  -3.939  -4.545
   64   3HG2  ILE   6           HG21     ILE   6   1.525  -4.617  -4.016
   65   1HD1  ILE   6           HD11     ILE   6   4.165  -4.796  -6.323
   66   2HD1  ILE   6           HD13     ILE   6   3.180  -5.349  -7.679
   67   3HD1  ILE   6           HD12     ILE   6   2.488  -4.271  -6.467
   68    H    GLU   7           HN       GLU   7   5.350  -7.026  -1.837
   69    HA   GLU   7           HA       GLU   7   5.027  -4.790  -0.194
   70   1HB   GLU   7           HB2      GLU   7   6.003  -7.271   0.216
   71   2HB   GLU   7           HB1      GLU   7   7.517  -6.367   0.225
   72   1HG   GLU   7           HG2      GLU   7   7.046  -5.363   2.205
   73   2HG   GLU   7           HG1      GLU   7   5.359  -5.088   1.765
   74    H    GLU   8           HN       GLU   8   8.275  -5.718  -1.389
   75    HA   GLU   8           HA       GLU   8   9.290  -3.051  -1.010
   76   1HB   GLU   8           HB2      GLU   8  11.276  -3.851  -2.237
   77   2HB   GLU   8           HB1      GLU   8  10.758  -5.066  -1.067
   78   1HG   GLU   8           HG2      GLU   8   9.577  -6.295  -2.838
   79   2HG   GLU   8           HG1      GLU   8  10.046  -5.068  -4.016
   80    H    ILE   9           HN       ILE   9   7.690  -4.676  -3.698
   81    HA   ILE   9           HA       ILE   9   8.382  -2.972  -5.838
   82    HB   ILE   9           HB       ILE   9   5.666  -4.124  -5.110
   83   1HG1  ILE   9           HG12     ILE   9   7.654  -5.665  -5.615
   84   2HG1  ILE   9           HG11     ILE   9   6.220  -5.898  -6.614
   85   1HG2  ILE   9           HG22     ILE   9   6.601  -2.466  -7.415
   86   2HG2  ILE   9           HG21     ILE   9   5.471  -3.780  -7.746
   87   3HG2  ILE   9           HG23     ILE   9   5.026  -2.496  -6.621
   88   1HD1  ILE   9           HD12     ILE   9   7.235  -4.436  -8.357
   89   2HD1  ILE   9           HD11     ILE   9   8.691  -4.310  -7.370
   90   3HD1  ILE   9           HD13     ILE   9   8.210  -5.871  -8.036
   91    H    ALA  10           HN       ALA  10   6.419  -2.515  -3.016
   92    HA   ALA  10           HA       ALA  10   5.559   0.198  -3.779
   93   1HB   ALA  10           HB1      ALA  10   4.180  -1.425  -2.333
   94   2HB   ALA  10           HB3      ALA  10   5.355  -1.120  -1.054
   95   3HB   ALA  10           HB2      ALA  10   4.377   0.204  -1.686
   96    H    ALA  11           HN       ALA  11   7.879  -1.479  -1.715
   97    HA   ALA  11           HA       ALA  11   8.903   0.687  -0.249
   98   1HB   ALA  11           HB1      ALA  11  10.455  -1.638  -1.389
   99   2HB   ALA  11           HB3      ALA  11  11.001  -0.580  -0.088
  100   3HB   ALA  11           HB2      ALA  11   9.604  -1.629   0.156
  101    H    LYS  12           HN       LYS  12   9.082   0.059  -3.627
  102    HA   LYS  12           HA       LYS  12  11.404   1.871  -3.984
  103   1HB   LYS  12           HB2      LYS  12  10.049  -0.198  -5.623
  104   2HB   LYS  12           HB1      LYS  12  10.725   1.173  -6.503
  105   1HG   LYS  12           HG2      LYS  12  12.789   0.313  -6.274
  106   2HG   LYS  12           HG1      LYS  12  12.621   0.365  -4.519
  107   1HD   LYS  12           HD2      LYS  12  12.956  -1.916  -4.891
  108   2HD   LYS  12           HD1      LYS  12  11.195  -1.812  -4.868
  109   1HE   LYS  12           HE2      LYS  12  11.132  -1.717  -7.309
  110   2HE   LYS  12           HE1      LYS  12  12.895  -1.712  -7.377
  111   1HZ   LYS  12           HZ1      LYS  12  11.229  -3.890  -6.238
  112   2HZ   LYS  12           HZ3      LYS  12  11.977  -3.923  -7.759
  113   3HZ   LYS  12           HZ2      LYS  12  12.924  -3.884  -6.349
  114    H    TYR  13           HN       TYR  13   7.921   1.875  -4.310
  115    HA   TYR  13           HA       TYR  13   7.613   3.916  -6.250
  116   1HB   TYR  13           HB2      TYR  13   5.960   3.113  -3.843
  117   2HB   TYR  13           HB1      TYR  13   5.494   4.498  -4.815
  118    HD1  TYR  13           HD1      TYR  13   7.121   1.367  -5.887
  119    HD2  TYR  13           HD2      TYR  13   3.515   3.731  -6.058
  120    HE1  TYR  13           HE1      TYR  13   6.197  -0.171  -7.579
  121    HE2  TYR  13           HE2      TYR  13   2.629   2.198  -7.757
  122    HH   TYR  13           HH       TYR  13   2.888  -0.006  -8.567
  123    H    LYS  14           HN       LYS  14   9.023   5.568  -6.168
  124    HA   LYS  14           HA       LYS  14  10.601   6.961  -4.862
  125   1HB   LYS  14           HB2      LYS  14   8.485   7.987  -6.336
  126   2HB   LYS  14           HB1      LYS  14   8.439   8.907  -4.831
  127   1HG   LYS  14           HG2      LYS  14   9.930  10.007  -6.437
  128   2HG   LYS  14           HG1      LYS  14  10.860   9.389  -5.072
  129   1HD   LYS  14           HD2      LYS  14  12.156   8.345  -6.601
  130   2HD   LYS  14           HD1      LYS  14  10.800   7.241  -6.836
  131   1HE   LYS  14           HE2      LYS  14  10.077   8.319  -8.763
  132   2HE   LYS  14           HE1      LYS  14  10.797   9.859  -8.294
  133   1HZ   LYS  14           HZ1      LYS  14  12.863   8.012  -8.502
  134   2HZ   LYS  14           HZ3      LYS  14  11.900   7.817  -9.886
  135   3HZ   LYS  14           HZ2      LYS  14  12.549   9.342  -9.514
  136    H    HIS  15           HN       HIS  15  11.208   6.972  -2.803
  137    HA   HIS  15           HA       HIS  15   9.378   6.729  -0.586
  138   1HB   HIS  15           HB2      HIS  15  11.412   7.106   0.803
  139   2HB   HIS  15           HB1      HIS  15  11.663   5.872  -0.432
  140    HD1  HIS  15           HD1      HIS  15  14.179   7.158   0.514
  141    HD2  HIS  15           HD2      HIS  15  11.899   8.837  -2.546
  142    HE1  HIS  15           HE1      HIS  15  15.736   8.669  -0.793
  143    H    SER  16           HN       SER  16   7.951   8.451  -0.544
  144    HA   SER  16           HA       SER  16   8.700  10.831   0.811
  145   1HB   SER  16           HB2      SER  16   8.817  10.927  -2.162
  146   2HB   SER  16           HB1      SER  16   7.981  12.263  -1.374
  147    HG   SER  16           HG       SER  16  10.072  12.865  -1.374
  148    H    VAL  17           HN       VAL  17   6.560   9.665  -1.754
  149    HA   VAL  17           HA       VAL  17   4.231   9.977   0.028
  150    HB   VAL  17           HB       VAL  17   4.612  11.441  -2.594
  151   1HG1  VAL  17           HG12     VAL  17   2.105  10.409  -1.313
  152   2HG1  VAL  17           HG11     VAL  17   2.065  11.975  -2.126
  153   3HG1  VAL  17           HG13     VAL  17   2.520  10.526  -3.024
  154   1HG2  VAL  17           HG22     VAL  17   4.011  12.137   0.261
  155   2HG2  VAL  17           HG21     VAL  17   5.121  12.914  -0.868
  156   3HG2  VAL  17           HG23     VAL  17   3.384  13.182  -1.015
  157    H    VAL  18           HN       VAL  18   4.934   9.444  -3.424
  158    HA   VAL  18           HA       VAL  18   3.053   7.507  -4.050
  159    HB   VAL  18           HB       VAL  18   4.683   8.439  -5.651
  160   1HG1  VAL  18           HG12     VAL  18   6.563   6.825  -3.933
  161   2HG1  VAL  18           HG11     VAL  18   6.979   7.228  -5.597
  162   3HG1  VAL  18           HG13     VAL  18   6.699   8.513  -4.421
  163   1HG2  VAL  18           HG21     VAL  18   4.022   5.609  -5.370
  164   2HG2  VAL  18           HG23     VAL  18   4.021   6.614  -6.819
  165   3HG2  VAL  18           HG22     VAL  18   5.514   5.847  -6.279
  166    H    LYS  19           HN       LYS  19   5.842   7.152  -1.965
  167    HA   LYS  19           HA       LYS  19   5.965   4.269  -2.083
  168   1HB   LYS  19           HB2      LYS  19   7.922   5.279  -1.258
  169   2HB   LYS  19           HB1      LYS  19   7.028   6.367  -0.203
  170   1HG   LYS  19           HG2      LYS  19   7.118   4.879   1.496
  171   2HG   LYS  19           HG1      LYS  19   6.463   3.600   0.474
  172   1HD   LYS  19           HD2      LYS  19   8.490   2.661   0.223
  173   2HD   LYS  19           HD1      LYS  19   9.200   4.199  -0.268
  174   1HE   LYS  19           HE2      LYS  19   9.734   4.803   1.938
  175   2HE   LYS  19           HE1      LYS  19   8.568   3.671   2.627
  176   1HZ   LYS  19           HZ3      LYS  19  10.984   2.846   1.116
  177   2HZ   LYS  19           HZ2      LYS  19  10.916   2.947   2.810
  178   3HZ   LYS  19           HZ1      LYS  19   9.926   1.843   1.981
  179    H    LYS  20           HN       LYS  20   5.128   6.122   0.854
  180    HA   LYS  20           HA       LYS  20   3.629   4.086   2.066
  181   1HB   LYS  20           HB2      LYS  20   2.523   5.891   3.376
  182   2HB   LYS  20           HB1      LYS  20   4.267   6.133   3.265
  183   1HG   LYS  20           HG2      LYS  20   3.713   7.565   1.168
  184   2HG   LYS  20           HG1      LYS  20   2.072   7.598   1.815
  185   1HD   LYS  20           HD2      LYS  20   3.289   8.273   4.055
  186   2HD   LYS  20           HD1      LYS  20   4.583   8.770   2.964
  187   1HE   LYS  20           HE2      LYS  20   3.391  10.725   2.916
  188   2HE   LYS  20           HE1      LYS  20   2.472   9.865   1.681
  189   1HZ   LYS  20           HZ1      LYS  20   0.940   9.121   3.402
  190   2HZ   LYS  20           HZ3      LYS  20   1.814   9.980   4.574
  191   3HZ   LYS  20           HZ2      LYS  20   1.008  10.817   3.334
  192    H    CYS  21           HN       CYS  21   2.790   5.993  -0.664
  193    HA   CYS  21           HA       CYS  21  -0.113   5.725  -0.476
  194   1HB   CYS  21           HB2      CYS  21   1.711   6.162  -2.844
  195   2HB   CYS  21           HB1      CYS  21  -0.044   6.255  -2.827
  196    H    CYS  22           HN       CYS  22   2.138   4.332  -2.877
  197    HA   CYS  22           HA       CYS  22   0.538   2.332  -3.858
  198   1HB   CYS  22           HB2      CYS  22   2.470   2.448  -4.970
  199   2HB   CYS  22           HB1      CYS  22   3.458   2.649  -3.534
  200    H    TYR  23           HN       TYR  23   2.475   2.307  -0.883
  201    HA   TYR  23           HA       TYR  23   1.915  -0.378  -0.098
  202   1HB   TYR  23           HB2      TYR  23   2.603   2.147   1.381
  203   2HB   TYR  23           HB1      TYR  23   2.030   0.754   2.297
  204    HD1  TYR  23           HD2      TYR  23   4.646   1.979   0.006
  205    HD2  TYR  23           HD1      TYR  23   3.397  -1.231   2.557
  206    HE1  TYR  23           HE2      TYR  23   6.911   0.990  -0.144
  207    HE2  TYR  23           HE1      TYR  23   5.664  -2.235   2.399
  208    HH   TYR  23           HH       TYR  23   7.596  -2.199   1.017
  209    H    ASP  24           HN       ASP  24   0.307   2.704   0.623
  210    HA   ASP  24           HA       ASP  24  -1.933   1.856   2.043
  211   1HB   ASP  24           HB2      ASP  24  -1.574   4.067  -0.020
  212   2HB   ASP  24           HB1      ASP  24  -3.134   3.775   0.767
  213    H    GLY  25           HN       GLY  25  -1.287   1.585  -1.391
  214   1HA   GLY  25           HA2      GLY  25  -3.910   0.830  -2.239
  215   2HA   GLY  25           HA1      GLY  25  -2.407   0.462  -3.089
  216    H    ALA  26           HN       ALA  26  -1.021  -1.274  -1.877
  217    HA   ALA  26           HA       ALA  26  -2.738  -3.643  -1.694
  218   1HB   ALA  26           HB2      ALA  26   0.245  -3.226  -1.475
  219   2HB   ALA  26           HB1      ALA  26  -0.512  -4.807  -1.285
  220   3HB   ALA  26           HB3      ALA  26  -0.655  -3.939  -2.813
  221    H    SER  27           HN       SER  27  -2.136  -1.375   0.617
  222    HA   SER  27           HA       SER  27  -1.836  -3.369   2.800
  223   1HB   SER  27           HB2      SER  27  -1.092  -0.570   2.507
  224   2HB   SER  27           HB1      SER  27  -1.822  -0.950   4.052
  225    HG   SER  27           HG       SER  27   0.506  -1.986   2.846
  226    H    VAL  28           HN       VAL  28  -3.708  -0.425   2.129
  227    HA   VAL  28           HA       VAL  28  -5.580  -0.559   4.152
  228    HB   VAL  28           HB       VAL  28  -5.298   1.022   2.033
  229   1HG1  VAL  28           HG12     VAL  28  -6.430  -1.072   0.745
  230   2HG1  VAL  28           HG11     VAL  28  -7.878  -0.169   1.187
  231   3HG1  VAL  28           HG13     VAL  28  -6.619   0.602   0.224
  232   1HG2  VAL  28           HG22     VAL  28  -7.525   0.525   3.922
  233   2HG2  VAL  28           HG21     VAL  28  -6.604   1.997   3.624
  234   3HG2  VAL  28           HG23     VAL  28  -7.910   1.541   2.535
  235    H    ASN  29           HN       ASN  29  -7.977  -1.247   3.895
  236    HA   ASN  29           HA       ASN  29  -8.296  -3.980   3.949
  237   1HB   ASN  29           HB2      ASN  29 -10.028  -1.753   3.870
  238   2HB   ASN  29           HB1      ASN  29 -10.597  -2.844   2.611
  239   1HD2  ASN  29           HD22     ASN  29 -12.167  -4.878   5.005
  240   2HD2  ASN  29           HD21     ASN  29 -12.202  -4.170   3.462
  241    H    ASN  30           HN       ASN  30  -9.478  -5.397   2.308
  242    HA   ASN  30           HA       ASN  30  -7.990  -5.878   0.026
  243   1HB   ASN  30           HB2      ASN  30 -10.154  -7.070   1.067
  244   2HB   ASN  30           HB1      ASN  30 -10.941  -6.216  -0.262
  245   1HD2  ASN  30           HD22     ASN  30  -9.994  -8.862  -2.391
  246   2HD2  ASN  30           HD21     ASN  30 -11.251  -7.902  -1.777
  247    H    ASP  31           HN       ASP  31 -10.361  -3.356   0.524
  248    HA   ASP  31           HA       ASP  31  -9.495  -2.032  -1.916
  249   1HB   ASP  31           HB2      ASP  31 -11.893  -1.931  -2.823
  250   2HB   ASP  31           HB1      ASP  31 -11.038  -3.460  -3.028
  251    H    GLU  32           HN       GLU  32  -9.771  -1.474   1.021
  252    HA   GLU  32           HA       GLU  32 -11.937   0.255   1.565
  253   1HB   GLU  32           HB2      GLU  32 -10.623  -0.143   3.442
  254   2HB   GLU  32           HB1      GLU  32  -9.111   0.115   2.574
  255   1HG   GLU  32           HG2      GLU  32  -9.525   2.517   2.498
  256   2HG   GLU  32           HG1      GLU  32 -11.121   2.297   3.216
  257    H    THR  33           HN       THR  33  -8.658   1.459   0.796
  258    HA   THR  33           HA       THR  33  -9.925   3.758  -0.602
  259    HB   THR  33           HB       THR  33  -8.272   4.320   1.134
  260    HG1  THR  33           HG1      THR  33  -7.071   5.675  -0.134
  261   1HG2  THR  33           HG21     THR  33  -6.623   2.369  -0.429
  262   2HG2  THR  33           HG23     THR  33  -5.814   3.696   0.402
  263   3HG2  THR  33           HG22     THR  33  -6.788   2.546   1.315
  264    H    CYS  34           HN       CYS  34  -7.831   0.984  -1.100
  265    HA   CYS  34           HA       CYS  34  -6.570   1.367  -3.528
  266   1HB   CYS  34           HB2      CYS  34  -6.720  -0.792  -2.245
  267   2HB   CYS  34           HB1      CYS  34  -8.336  -1.013  -2.914
  268    H    GLU  35           HN       GLU  35  -9.975   0.679  -3.007
  269    HA   GLU  35           HA       GLU  35 -10.671   0.820  -5.829
  270   1HB   GLU  35           HB2      GLU  35 -11.909  -0.490  -4.017
  271   2HB   GLU  35           HB1      GLU  35 -12.598   1.055  -3.515
  272   1HG   GLU  35           HG2      GLU  35 -14.209   0.491  -5.043
  273   2HG   GLU  35           HG1      GLU  35 -13.059   1.208  -6.171
  274    H    GLN  36           HN       GLN  36 -12.074   2.813  -3.214
  275    HA   GLN  36           HA       GLN  36 -13.087   4.885  -4.689
  276   1HB   GLN  36           HB2      GLN  36 -11.692   4.882  -2.025
  277   2HB   GLN  36           HB1      GLN  36 -12.253   6.402  -2.722
  278   1HG   GLN  36           HG2      GLN  36 -14.101   4.031  -2.582
  279   2HG   GLN  36           HG1      GLN  36 -13.874   5.064  -1.171
  280   1HE2  GLN  36           HE22     GLN  36 -15.485   7.901  -2.681
  281   2HE2  GLN  36           HE21     GLN  36 -14.313   7.464  -1.533
  282    H    ARG  37           HN       ARG  37  -9.753   5.006  -3.397
  283    HA   ARG  37           HA       ARG  37  -8.974   7.279  -4.908
  284   1HB   ARG  37           HB2      ARG  37  -7.502   5.083  -3.506
  285   2HB   ARG  37           HB1      ARG  37  -6.601   6.201  -4.528
  286   1HG   ARG  37           HG2      ARG  37  -7.853   8.064  -3.230
  287   2HG   ARG  37           HG1      ARG  37  -8.230   6.799  -2.061
  288   1HD   ARG  37           HD2      ARG  37  -6.016   6.527  -1.427
  289   2HD   ARG  37           HD1      ARG  37  -5.394   7.104  -2.972
  290    HE   ARG  37           HE       ARG  37  -6.621   9.335  -1.888
  291   1HH1  ARG  37           HH21     ARG  37  -4.275   7.027  -0.839
  292   2HH1  ARG  37           HH22     ARG  37  -3.432   8.151   0.171
  293   1HH2  ARG  37           HH12     ARG  37  -5.529  10.809  -0.572
  294   2HH2  ARG  37           HH11     ARG  37  -4.140  10.289   0.324
  295    H    ALA  38           HN       ALA  38  -8.529   3.765  -5.688
  296    HA   ALA  38           HA       ALA  38  -7.193   4.355  -8.180
  297   1HB   ALA  38           HB1      ALA  38  -7.094   2.134  -7.023
  298   2HB   ALA  38           HB3      ALA  38  -8.773   1.866  -7.490
  299   3HB   ALA  38           HB2      ALA  38  -7.527   2.016  -8.729
  300    H    ALA  39           HN       ALA  39 -10.368   4.870  -7.252
  301    HA   ALA  39           HA       ALA  39 -11.203   4.978 -10.114
  302   1HB   ALA  39           HB3      ALA  39 -12.817   3.918  -7.777
  303   2HB   ALA  39           HB2      ALA  39 -13.496   4.268  -9.367
  304   3HB   ALA  39           HB1      ALA  39 -12.275   3.008  -9.188
  305    H    ARG  40           HN       ARG  40 -13.105   5.711  -7.219
  306    HA   ARG  40           HA       ARG  40 -13.620   8.404  -8.242
  307   1HB   ARG  40           HB2      ARG  40 -14.467   6.999  -5.693
  308   2HB   ARG  40           HB1      ARG  40 -15.002   8.615  -6.157
  309   1HG   ARG  40           HG2      ARG  40 -15.876   7.645  -8.300
  310   2HG   ARG  40           HG1      ARG  40 -15.476   6.041  -7.684
  311   1HD   ARG  40           HD2      ARG  40 -17.703   6.219  -7.032
  312   2HD   ARG  40           HD1      ARG  40 -16.882   6.825  -5.593
  313    HE   ARG  40           HE       ARG  40 -17.287   9.097  -7.119
  314   1HH1  ARG  40           HH21     ARG  40 -19.240   6.505  -5.939
  315   2HH1  ARG  40           HH22     ARG  40 -20.670   7.471  -5.807
  316   1HH2  ARG  40           HH12     ARG  40 -19.146  10.366  -6.952
  317   2HH2  ARG  40           HH11     ARG  40 -20.618   9.655  -6.381
  318    H    ILE  41           HN       ILE  41 -11.966   9.846  -8.018
  319    HA   ILE  41           HA       ILE  41 -10.586   9.955  -5.361
  320    HB   ILE  41           HB       ILE  41  -9.543  10.783  -8.087
  321   1HG1  ILE  41           HG12     ILE  41  -8.101   8.737  -6.566
  322   2HG1  ILE  41           HG11     ILE  41  -9.738   8.237  -6.993
  323   1HG2  ILE  41           HG21     ILE  41  -8.727  12.156  -6.157
  324   2HG2  ILE  41           HG23     ILE  41  -8.140  10.674  -5.402
  325   3HG2  ILE  41           HG22     ILE  41  -7.452  11.217  -6.930
  326   1HD1  ILE  41           HD12     ILE  41  -8.625   9.538  -9.269
  327   2HD1  ILE  41           HD11     ILE  41  -7.427   8.385  -8.683
  328   3HD1  ILE  41           HD13     ILE  41  -9.051   7.836  -9.096
  329    H    SER  42           HN       SER  42 -10.017  12.147  -4.633
  330    HA   SER  42           HA       SER  42 -12.164  14.048  -5.163
  331   1HB   SER  42           HB2      SER  42 -10.360  15.458  -3.693
  332   2HB   SER  42           HB1      SER  42 -11.543  14.360  -2.989
  333    HG   SER  42           HG       SER  42  -9.114  14.138  -2.550
  334    H    LEU  43           HN       LEU  43  -8.643  13.982  -5.759
  335    HA   LEU  43           HA       LEU  43  -8.985  15.563  -8.188
  336   1HB   LEU  43           HB2      LEU  43  -7.247  17.290  -7.210
  337   2HB   LEU  43           HB1      LEU  43  -8.969  17.500  -6.888
  338    HG   LEU  43           HG       LEU  43  -8.645  16.198  -4.753
  339   1HD1  LEU  43           HD13     LEU  43  -5.797  16.363  -5.720
  340   2HD1  LEU  43           HD12     LEU  43  -6.152  16.265  -3.995
  341   3HD1  LEU  43           HD11     LEU  43  -6.666  14.969  -5.077
  342   1HD2  LEU  43           HD21     LEU  43  -8.430  18.822  -5.160
  343   2HD2  LEU  43           HD23     LEU  43  -8.095  18.118  -3.578
  344   3HD2  LEU  43           HD22     LEU  43  -6.764  18.525  -4.662
  345    H    GLY  44           HN       GLY  44  -7.926  13.002  -7.701
  346   1HA   GLY  44           HA2      GLY  44  -5.964  11.705  -7.917
  347   2HA   GLY  44           HA1      GLY  44  -5.594  12.893  -9.165
  348    HA   PRO  45           HA       PRO  45  -3.667  14.704  -4.983
  349   1HB   PRO  45           HB2      PRO  45  -3.478  12.364  -3.306
  350   2HB   PRO  45           HB1      PRO  45  -4.271  13.904  -2.962
  351   1HG   PRO  45           HG2      PRO  45  -5.498  11.399  -3.523
  352   2HG   PRO  45           HG1      PRO  45  -6.287  12.955  -3.245
  353   1HD   PRO  45           HD2      PRO  45  -6.125  11.497  -5.684
  354   2HD   PRO  45           HD1      PRO  45  -6.847  13.088  -5.423
  355    H    ARG  46           HN       ARG  46  -2.959  11.196  -4.893
  356    HA   ARG  46           HA       ARG  46  -0.718  11.267  -6.645
  357   1HB   ARG  46           HB2      ARG  46  -0.085  12.733  -4.481
  358   2HB   ARG  46           HB1      ARG  46   0.340  11.136  -3.864
  359   1HG   ARG  46           HG2      ARG  46   2.292  11.349  -4.972
  360   2HG   ARG  46           HG1      ARG  46   1.366  11.160  -6.461
  361   1HD   ARG  46           HD2      ARG  46   1.058  13.857  -5.560
  362   2HD   ARG  46           HD1      ARG  46   2.778  13.469  -5.554
  363    HE   ARG  46           HE       ARG  46   1.891  12.505  -7.996
  364   1HH1  ARG  46           HH21     ARG  46   1.731  15.499  -6.281
  365   2HH1  ARG  46           HH22     ARG  46   1.729  16.468  -7.716
  366   1HH2  ARG  46           HH12     ARG  46   1.887  13.759  -9.873
  367   2HH2  ARG  46           HH11     ARG  46   1.817  15.485  -9.747
  368    H    CYS  47           HN       CYS  47  -1.617   9.889  -3.447
  369    HA   CYS  47           HA       CYS  47  -0.466   7.354  -3.956
  370   1HB   CYS  47           HB2      CYS  47  -2.938   7.743  -2.254
  371   2HB   CYS  47           HB1      CYS  47  -1.737   6.488  -2.093
  372    H    ILE  48           HN       ILE  48  -3.564   8.696  -4.915
  373    HA   ILE  48           HA       ILE  48  -4.717   6.206  -5.615
  374    HB   ILE  48           HB       ILE  48  -6.317   7.449  -6.909
  375   1HG1  ILE  48           HG12     ILE  48  -4.636   8.803  -8.219
  376   2HG1  ILE  48           HG11     ILE  48  -6.016   9.729  -7.653
  377   1HG2  ILE  48           HG21     ILE  48  -5.426   8.406  -4.317
  378   2HG2  ILE  48           HG23     ILE  48  -6.242   9.672  -5.235
  379   3HG2  ILE  48           HG22     ILE  48  -7.065   8.147  -4.914
  380   1HD1  ILE  48           HD11     ILE  48  -4.636  10.390  -5.636
  381   2HD1  ILE  48           HD13     ILE  48  -3.243   9.677  -6.444
  382   3HD1  ILE  48           HD12     ILE  48  -4.075  11.047  -7.172
  383    H    LYS  49           HN       LYS  49  -2.885   8.491  -7.747
  384    HA   LYS  49           HA       LYS  49  -2.917   6.719  -9.994
  385   1HB   LYS  49           HB2      LYS  49  -1.426   9.150  -9.194
  386   2HB   LYS  49           HB1      LYS  49  -0.615   8.114 -10.369
  387   1HG   LYS  49           HG2      LYS  49  -2.752   8.111 -11.715
  388   2HG   LYS  49           HG1      LYS  49  -3.375   9.336 -10.610
  389   1HD   LYS  49           HD2      LYS  49  -1.739  10.921 -11.264
  390   2HD   LYS  49           HD1      LYS  49  -0.736   9.691 -12.031
  391   1HE   LYS  49           HE2      LYS  49  -3.462   9.824 -13.120
  392   2HE   LYS  49           HE1      LYS  49  -2.537  11.308 -13.353
  393   1HZ   LYS  49           HZ1      LYS  49  -0.713   9.910 -14.236
  394   2HZ   LYS  49           HZ3      LYS  49  -1.742   8.563 -14.156
  395   3HZ   LYS  49           HZ2      LYS  49  -2.123   9.861 -15.184
  396    H    ALA  50           HN       ALA  50  -0.160   7.423  -7.800
  397    HA   ALA  50           HA       ALA  50   1.561   5.356  -8.660
  398   1HB   ALA  50           HB1      ALA  50   1.096   6.276  -5.807
  399   2HB   ALA  50           HB3      ALA  50   2.496   5.372  -6.377
  400   3HB   ALA  50           HB2      ALA  50   2.220   7.020  -6.943
  401    H    PHE  51           HN       PHE  51  -0.491   5.283  -5.838
  402    HA   PHE  51           HA       PHE  51  -0.230   2.501  -5.525
  403   1HB   PHE  51           HB2      PHE  51  -1.082   2.965  -3.555
  404   2HB   PHE  51           HB1      PHE  51  -1.154   4.633  -4.008
  405    HD1  PHE  51           HD1      PHE  51  -3.500   4.355  -5.997
  406    HD2  PHE  51           HD2      PHE  51  -2.860   2.869  -2.052
  407    HE1  PHE  51           HE1      PHE  51  -5.942   4.234  -5.637
  408    HE2  PHE  51           HE2      PHE  51  -5.296   2.755  -1.688
  409    HZ   PHE  51           HZ       PHE  51  -6.839   3.433  -3.488
  410    H    THR  52           HN       THR  52  -2.049   4.159  -7.828
  411    HA   THR  52           HA       THR  52  -4.353   2.359  -7.902
  412    HB   THR  52           HB       THR  52  -3.336   4.603  -9.594
  413    HG1  THR  52           HG1      THR  52  -5.942   4.414  -9.591
  414   1HG2  THR  52           HG22     THR  52  -4.805   2.228 -10.711
  415   2HG2  THR  52           HG21     THR  52  -5.160   3.840 -11.334
  416   3HG2  THR  52           HG23     THR  52  -3.524   3.190 -11.447
  417    H    GLU  53           HN       GLU  53  -1.370   2.809  -9.791
  418    HA   GLU  53           HA       GLU  53  -1.800   0.333 -11.282
  419   1HB   GLU  53           HB2      GLU  53   0.922   1.544 -10.953
  420   2HB   GLU  53           HB1      GLU  53   0.174   0.850 -12.392
  421   1HG   GLU  53           HG2      GLU  53  -1.488   2.988 -11.781
  422   2HG   GLU  53           HG1      GLU  53   0.124   3.610 -11.425
  423    H    CYS  54           HN       CYS  54  -0.190   1.258  -8.315
  424    HA   CYS  54           HA       CYS  54   1.267  -1.242  -8.002
  425   1HB   CYS  54           HB2      CYS  54   2.236   0.541  -6.892
  426   2HB   CYS  54           HB1      CYS  54   0.697   1.178  -6.306
  427    H    CYS  55           HN       CYS  55  -1.773   0.045  -6.721
  428    HA   CYS  55           HA       CYS  55  -2.270  -2.287  -5.067
  429   1HB   CYS  55           HB2      CYS  55  -3.245   0.060  -4.688
  430   2HB   CYS  55           HB1      CYS  55  -4.386  -0.314  -5.977
  431    H    VAL  56           HN       VAL  56  -3.312  -1.164  -8.266
  432    HA   VAL  56           HA       VAL  56  -5.157  -3.310  -8.744
  433    HB   VAL  56           HB       VAL  56  -4.940  -2.704 -11.127
  434   1HG1  VAL  56           HG12     VAL  56  -5.206  -0.572  -9.030
  435   2HG1  VAL  56           HG11     VAL  56  -5.272  -0.119 -10.734
  436   3HG1  VAL  56           HG13     VAL  56  -6.444  -1.263 -10.080
  437   1HG2  VAL  56           HG23     VAL  56  -2.534  -1.231 -10.072
  438   2HG2  VAL  56           HG22     VAL  56  -2.655  -2.285 -11.481
  439   3HG2  VAL  56           HG21     VAL  56  -3.356  -0.667 -11.527
  440    H    VAL  57           HN       VAL  57  -1.710  -2.866  -9.686
  441    HA   VAL  57           HA       VAL  57  -1.398  -5.415 -10.904
  442    HB   VAL  57           HB       VAL  57   0.413  -3.834 -11.090
  443   1HG1  VAL  57           HG12     VAL  57  -0.239  -3.041  -8.594
  444   2HG1  VAL  57           HG11     VAL  57   1.182  -4.015  -8.224
  445   3HG1  VAL  57           HG13     VAL  57   1.308  -2.653  -9.338
  446   1HG2  VAL  57           HG21     VAL  57   0.777  -6.476 -10.336
  447   2HG2  VAL  57           HG23     VAL  57   2.040  -5.416 -10.960
  448   3HG2  VAL  57           HG22     VAL  57   1.829  -5.605  -9.220
  449    H    ALA  58           HN       ALA  58  -0.829  -4.449  -7.502
  450    HA   ALA  58           HA       ALA  58  -0.076  -6.900  -6.425
  451   1HB   ALA  58           HB1      ALA  58  -0.558  -4.554  -5.306
  452   2HB   ALA  58           HB3      ALA  58  -2.120  -5.288  -4.946
  453   3HB   ALA  58           HB2      ALA  58  -0.638  -6.032  -4.347
  454    H    SER  59           HN       SER  59  -3.454  -5.760  -6.676
  455    HA   SER  59           HA       SER  59  -4.578  -8.295  -5.892
  456   1HB   SER  59           HB2      SER  59  -6.336  -6.778  -7.623
  457   2HB   SER  59           HB1      SER  59  -6.502  -7.126  -5.902
  458    HG   SER  59           HG       SER  59  -5.785  -4.846  -7.100
  459    H    GLN  60           HN       GLN  60  -4.980  -6.724  -9.045
  460    HA   GLN  60           HA       GLN  60  -5.893  -8.637 -10.659
  461   1HB   GLN  60           HB2      GLN  60  -4.754  -6.339 -11.249
  462   2HB   GLN  60           HB1      GLN  60  -3.361  -7.353 -11.624
  463   1HG   GLN  60           HG2      GLN  60  -4.296  -8.052 -13.551
  464   2HG   GLN  60           HG1      GLN  60  -5.794  -8.489 -12.728
  465   1HE2  GLN  60           HE22     GLN  60  -6.371  -5.625 -15.158
  466   2HE2  GLN  60           HE21     GLN  60  -5.623  -7.137 -15.343
  467    H    LEU  61           HN       LEU  61  -2.326  -8.548 -10.051
  468    HA   LEU  61           HA       LEU  61  -2.016 -11.183 -11.211
  469   1HB   LEU  61           HB2      LEU  61  -0.101 -10.254  -9.132
  470   2HB   LEU  61           HB1      LEU  61   0.203 -11.121 -10.625
  471    HG   LEU  61           HG       LEU  61   0.060  -8.243 -10.099
  472   1HD1  LEU  61           HD13     LEU  61   2.135  -9.472 -10.641
  473   2HD1  LEU  61           HD12     LEU  61   1.451  -9.896 -12.210
  474   3HD1  LEU  61           HD11     LEU  61   1.787  -8.208 -11.821
  475   1HD2  LEU  61           HD23     LEU  61  -1.464  -9.511 -12.292
  476   2HD2  LEU  61           HD22     LEU  61  -1.597  -7.879 -11.639
  477   3HD2  LEU  61           HD21     LEU  61  -0.346  -8.254 -12.820
  478    H    ARG  62           HN       ARG  62  -2.028 -10.035  -7.830
  479    HA   ARG  62           HA       ARG  62  -1.690 -12.298  -6.387
  480   1HB   ARG  62           HB2      ARG  62  -3.430  -9.969  -6.051
  481   2HB   ARG  62           HB1      ARG  62  -4.072 -11.403  -5.250
  482   1HG   ARG  62           HG2      ARG  62  -1.940 -11.739  -4.086
  483   2HG   ARG  62           HG1      ARG  62  -1.251 -10.344  -4.918
  484   1HD   ARG  62           HD2      ARG  62  -3.605  -9.359  -3.823
  485   2HD   ARG  62           HD1      ARG  62  -2.990 -10.433  -2.568
  486    HE   ARG  62           HE       ARG  62  -1.976  -7.854  -3.135
  487   1HH1  ARG  62           HH21     ARG  62  -0.801 -11.089  -2.735
  488   2HH1  ARG  62           HH22     ARG  62   0.833 -10.588  -2.476
  489   1HH2  ARG  62           HH12     ARG  62   0.143  -7.209  -2.775
  490   2HH2  ARG  62           HH11     ARG  62   1.366  -8.401  -2.489
  491    H    ALA  63           HN       ALA  63  -4.614 -11.636  -8.300
  492    HA   ALA  63           HA       ALA  63  -6.043 -14.000  -7.550
  493   1HB   ALA  63           HB1      ALA  63  -6.409 -11.891  -9.387
  494   2HB   ALA  63           HB3      ALA  63  -6.369 -13.357 -10.367
  495   3HB   ALA  63           HB2      ALA  63  -7.538 -13.204  -9.055
  496    H    ASN  64           HN       ASN  64  -4.020 -13.376 -10.439
  497    HA   ASN  64           HA       ASN  64  -3.088 -16.210 -10.273
  498   1HB   ASN  64           HB2      ASN  64  -4.619 -14.930 -12.435
  499   2HB   ASN  64           HB1      ASN  64  -3.145 -15.729 -12.986
  500   1HD2  ASN  64           HD22     ASN  64  -4.697 -18.874 -12.823
  501   2HD2  ASN  64           HD21     ASN  64  -3.607 -17.837 -13.611
  502    H    ILE  65           HN       ILE  65  -1.368 -14.504  -9.243
  503    HA   ILE  65           HA       ILE  65   0.223 -12.916 -11.004
  504    HB   ILE  65           HB       ILE  65   1.851 -14.228  -8.948
  505   1HG1  ILE  65           HG12     ILE  65  -0.746 -12.898  -8.162
  506   2HG1  ILE  65           HG11     ILE  65  -0.215 -14.523  -7.735
  507   1HG2  ILE  65           HG21     ILE  65   1.781 -11.797 -10.233
  508   2HG2  ILE  65           HG23     ILE  65   1.095 -11.390  -8.661
  509   3HG2  ILE  65           HG22     ILE  65   2.691 -12.115  -8.760
  510   1HD1  ILE  65           HD12     ILE  65   1.876 -13.054  -6.794
  511   2HD1  ILE  65           HD11     ILE  65   0.551 -11.915  -6.558
  512   3HD1  ILE  65           HD13     ILE  65   0.486 -13.511  -5.811
  513    H    SER  66           HN       SER  66   0.759 -13.912 -12.933
  514    HA   SER  66           HA       SER  66   3.029 -15.631 -13.013
  515   1HB   SER  66           HB2      SER  66   2.192 -17.761 -13.287
  516   2HB   SER  66           HB1      SER  66   0.940 -17.120 -12.227
  517    HG   SER  66           HG       SER  66  -0.264 -16.610 -14.100
  518    H    HIS  67           HN       HIS  67   0.079 -14.524 -14.609
  519    HA   HIS  67           HA       HIS  67   0.963 -15.018 -17.302
  520   1HB   HIS  67           HB2      HIS  67  -1.387 -14.622 -16.876
  521   2HB   HIS  67           HB1      HIS  67  -1.040 -13.043 -16.169
  522    HD1  HIS  67           HD1      HIS  67  -2.334 -11.690 -17.938
  523    HD2  HIS  67           HD2      HIS  67   0.625 -14.127 -19.574
  524    HE1  HIS  67           HE1      HIS  67  -2.087 -10.988 -20.359
  525    H    LYS  68           HN       LYS  68   0.261 -11.702 -16.397
  526    HA   LYS  68           HA       LYS  68   3.032 -10.967 -17.262
  527   1HB   LYS  68           HB2      LYS  68   0.413 -10.053 -18.165
  528   2HB   LYS  68           HB1      LYS  68   1.426  -8.713 -17.625
  529   1HG   LYS  68           HG2      LYS  68   3.121  -9.202 -19.189
  530   2HG   LYS  68           HG1      LYS  68   2.526 -10.842 -19.453
  531   1HD   LYS  68           HD2      LYS  68   0.900 -10.163 -20.920
  532   2HD   LYS  68           HD1      LYS  68   0.631  -8.638 -20.077
  533   1HE   LYS  68           HE2      LYS  68   2.534  -7.624 -21.078
  534   2HE   LYS  68           HE1      LYS  68   3.170  -9.177 -21.624
  535   1HZ   LYS  68           HZ3      LYS  68   0.526  -8.284 -22.553
  536   2HZ   LYS  68           HZ2      LYS  68   1.924  -7.644 -23.277
  537   3HZ   LYS  68           HZ1      LYS  68   1.638  -9.318 -23.310
  538    H    ASP  69           HN       ASP  69   3.708  -8.774 -16.338
  539    HA   ASP  69           HA       ASP  69   2.627  -8.482 -13.562
  540   1HB   ASP  69           HB2      ASP  69   5.126  -9.342 -14.134
  541   2HB   ASP  69           HB1      ASP  69   5.406  -7.599 -14.134
  542    H    MET  70           HN       MET  70   1.969  -6.443 -13.006
  543    HA   MET  70           HA       MET  70   2.477  -4.275 -14.995
  544   1HB   MET  70           HB2      MET  70   0.108  -5.173 -13.724
  545   2HB   MET  70           HB1      MET  70   0.479  -3.593 -13.034
  546   1HG   MET  70           HG2      MET  70  -0.477  -2.726 -14.891
  547   2HG   MET  70           HG1      MET  70   0.992  -3.226 -15.731
  548   1HE   MET  70           HE3      MET  70  -1.624  -2.633 -16.910
  549   2HE   MET  70           HE2      MET  70  -0.643  -3.441 -18.130
  550   3HE   MET  70           HE1      MET  70  -2.297  -3.975 -17.846
  551    H    CYS  71           HN       CYS  71   1.732  -2.151 -13.209
  552    HA   CYS  71           HA       CYS  71   4.165  -1.342 -12.141
  553   1HB   CYS  71           HB2      CYS  71   1.317  -0.707 -11.424
  554   2HB   CYS  71           HB1      CYS  71   2.617  -0.043 -10.428
  555   1H    CYS  72           HN3      CYS  72   3.649   4.484 -11.790
  556   2H    CYS  72           HN2      CYS  72   2.165   3.668 -11.929
  557   3H    CYS  72           HN1      CYS  72   2.231   5.198 -11.192
  558    HA   CYS  72           HA       CYS  72   2.029   3.544  -9.485
  559   1HB   CYS  72           HB2      CYS  72   4.444   2.204  -9.509
  560   2HB   CYS  72           HB1      CYS  72   2.871   1.528  -9.883
  561    H    LEU  73           HN       LEU  73   5.446   4.014 -10.362
  562    HA   LEU  73           HA       LEU  73   6.329   4.818  -7.843
  563   1HB   LEU  73           HB2      LEU  73   8.171   6.040  -9.139
  564   2HB   LEU  73           HB1      LEU  73   7.974   4.324  -9.492
  565    HG   LEU  73           HG       LEU  73   6.197   5.559 -11.242
  566   1HD1  LEU  73           HD11     LEU  73   8.714   7.195 -10.885
  567   2HD1  LEU  73           HD13     LEU  73   7.823   7.180 -12.407
  568   3HD1  LEU  73           HD12     LEU  73   7.044   7.760 -10.935
  569   1HD2  LEU  73           HD21     LEU  73   8.965   4.398 -11.466
  570   2HD2  LEU  73           HD23     LEU  73   7.433   3.725 -12.021
  571   3HD2  LEU  73           HD22     LEU  73   8.175   5.064 -12.896
  572    H    GLY  74           HN       GLY  74   7.488   7.291  -7.904
  573   1HA   GLY  74           HA2      GLY  74   5.369   9.267  -8.547
  574   2HA   GLY  74           HA1      GLY  74   5.872   9.134  -6.862
  575   1HN   DAR  75           HN       ARG  75   6.213  11.376  -8.841
  576    HA   DAR  75           HA       ARG  75   8.935  11.583  -9.655
  577   1HB   DAR  75           HB1      ARG  75   8.898  11.502  -6.964
  578   2HB   DAR  75           HB2      ARG  75   8.611  13.227  -7.192
  579   1HG   DAR  75           HG1      ARG  75  10.637  13.477  -8.459
  580   2HG   DAR  75           HG2      ARG  75  10.853  11.730  -8.572
  581   1HD   DAR  75           HD1      ARG  75  11.872  11.640  -6.559
  582   2HD   DAR  75           HD2      ARG  75  10.604  12.607  -5.810
  583    HNE  DAR  75           HE       ARG  75  12.125  14.361  -5.825
  584   1HH1  DAR  75           HH11     ARG  75  13.496  15.828  -6.827
  585   2HH1  DAR  75           HH12     ARG  75  14.182  15.444  -8.370
  586   1HH2  DAR  75           HH21     ARG  75  12.663  12.342  -8.587
  587   2HH2  DAR  75           HH22     ARG  75  13.705  13.483  -9.364
   
  No H/Q in entry =         587
  Start of MODEL    7
    1   1H    MET   1           HN1      MET   1   8.294 -19.625   0.287
    2   2H    MET   1           HN3      MET   1   9.808 -20.239   0.742
    3   3H    MET   1           HN2      MET   1   8.856 -19.404   1.875
    4    HA   MET   1           HA       MET   1  10.047 -17.614   1.352
    5   1HB   MET   1           HB2      MET   1  10.844 -19.301  -1.014
    6   2HB   MET   1           HB1      MET   1  11.298 -17.600  -0.931
    7   1HG   MET   1           HG2      MET   1  12.989 -18.109   0.460
    8   2HG   MET   1           HG1      MET   1  11.842 -18.790   1.613
    9   1HE   MET   1           HE2      MET   1  14.709 -19.161   0.777
   10   2HE   MET   1           HE1      MET   1  14.694 -20.688   1.653
   11   3HE   MET   1           HE3      MET   1  15.169 -20.647  -0.049
   12    H    LEU   2           HN       LEU   2   7.226 -18.108   0.582
   13    HA   LEU   2           HA       LEU   2   7.028 -16.128  -1.655
   14   1HB   LEU   2           HB2      LEU   2   4.904 -18.140  -0.877
   15   2HB   LEU   2           HB1      LEU   2   4.980 -17.165  -2.344
   16    HG   LEU   2           HG       LEU   2   7.413 -18.697  -2.048
   17   1HD1  LEU   2           HD11     LEU   2   5.238 -20.047  -0.971
   18   2HD1  LEU   2           HD13     LEU   2   5.288 -20.624  -2.638
   19   3HD1  LEU   2           HD12     LEU   2   6.704 -20.799  -1.600
   20   1HD2  LEU   2           HD21     LEU   2   5.568 -17.824  -4.042
   21   2HD2  LEU   2           HD23     LEU   2   7.162 -18.542  -4.282
   22   3HD2  LEU   2           HD22     LEU   2   5.733 -19.573  -4.204
   23    H    GLN   3           HN       GLN   3   7.144 -14.425  -0.003
   24    HA   GLN   3           HA       GLN   3   4.480 -13.947   1.214
   25   1HB   GLN   3           HB2      GLN   3   5.758 -13.082   3.290
   26   2HB   GLN   3           HB1      GLN   3   5.583 -14.828   3.109
   27   1HG   GLN   3           HG2      GLN   3   7.919 -14.049   1.673
   28   2HG   GLN   3           HG1      GLN   3   7.999 -13.298   3.268
   29   1HE2  GLN   3           HE22     GLN   3   9.322 -16.858   3.381
   30   2HE2  GLN   3           HE21     GLN   3   9.674 -15.549   2.359
   31    H    LYS   4           HN       LYS   4   7.694 -12.672   0.426
   32    HA   LYS   4           HA       LYS   4   6.597  -9.914   0.457
   33   1HB   LYS   4           HB2      LYS   4   9.434 -10.858  -0.056
   34   2HB   LYS   4           HB1      LYS   4   8.918  -9.193   0.216
   35   1HG   LYS   4           HG2      LYS   4   8.135 -11.175   2.290
   36   2HG   LYS   4           HG1      LYS   4   9.848 -10.766   2.202
   37   1HD   LYS   4           HD2      LYS   4   8.570  -8.303   1.968
   38   2HD   LYS   4           HD1      LYS   4   7.609  -9.161   3.174
   39   1HE   LYS   4           HE2      LYS   4   9.334  -9.248   4.688
   40   2HE   LYS   4           HE1      LYS   4  10.568  -9.361   3.433
   41   1HZ   LYS   4           HZ3      LYS   4   9.121  -6.874   3.421
   42   2HZ   LYS   4           HZ2      LYS   4   9.994  -7.139   4.854
   43   3HZ   LYS   4           HZ1      LYS   4  10.792  -7.157   3.355
   44    H    LYS   5           HN       LYS   5   5.479  -9.528  -1.423
   45    HA   LYS   5           HA       LYS   5   6.890 -10.176  -3.982
   46   1HB   LYS   5           HB2      LYS   5   3.947 -10.280  -3.292
   47   2HB   LYS   5           HB1      LYS   5   4.516 -10.205  -4.961
   48   1HG   LYS   5           HG2      LYS   5   5.547 -12.276  -3.018
   49   2HG   LYS   5           HG1      LYS   5   4.102 -12.550  -3.992
   50   1HD   LYS   5           HD2      LYS   5   6.094 -11.519  -5.738
   51   2HD   LYS   5           HD1      LYS   5   6.855 -12.788  -4.778
   52   1HE   LYS   5           HE2      LYS   5   4.133 -13.343  -5.866
   53   2HE   LYS   5           HE1      LYS   5   5.479 -13.346  -7.006
   54   1HZ   LYS   5           HZ3      LYS   5   5.591 -14.835  -4.455
   55   2HZ   LYS   5           HZ2      LYS   5   4.932 -15.521  -5.863
   56   3HZ   LYS   5           HZ1      LYS   5   6.560 -15.033  -5.833
   57    H    ILE   6           HN       ILE   6   3.946  -8.265  -3.477
   58    HA   ILE   6           HA       ILE   6   5.105  -6.057  -4.988
   59    HB   ILE   6           HB       ILE   6   2.443  -6.715  -3.804
   60   1HG1  ILE   6           HG12     ILE   6   3.257  -7.100  -6.221
   61   2HG1  ILE   6           HG11     ILE   6   1.688  -6.321  -6.019
   62   1HG2  ILE   6           HG21     ILE   6   3.333  -3.887  -4.441
   63   2HG2  ILE   6           HG23     ILE   6   1.646  -4.380  -4.287
   64   3HG2  ILE   6           HG22     ILE   6   2.726  -4.485  -2.896
   65   1HD1  ILE   6           HD11     ILE   6   4.125  -4.585  -6.179
   66   2HD1  ILE   6           HD13     ILE   6   3.503  -5.299  -7.667
   67   3HD1  ILE   6           HD12     ILE   6   2.474  -4.245  -6.698
   68    H    GLU   7           HN       GLU   7   5.597  -7.037  -1.894
   69    HA   GLU   7           HA       GLU   7   5.246  -4.753  -0.266
   70   1HB   GLU   7           HB2      GLU   7   6.702  -7.243  -0.128
   71   2HB   GLU   7           HB1      GLU   7   7.701  -5.931   0.498
   72   1HG   GLU   7           HG2      GLU   7   6.535  -6.244   2.424
   73   2HG   GLU   7           HG1      GLU   7   5.263  -5.337   1.605
   74    H    GLU   8           HN       GLU   8   8.491  -5.701  -1.443
   75    HA   GLU   8           HA       GLU   8   9.424  -2.971  -1.276
   76   1HB   GLU   8           HB2      GLU   8  11.474  -3.803  -2.320
   77   2HB   GLU   8           HB1      GLU   8  10.932  -4.978  -1.121
   78   1HG   GLU   8           HG2      GLU   8   9.885  -6.328  -2.885
   79   2HG   GLU   8           HG1      GLU   8  10.373  -5.142  -4.097
   80    H    ILE   9           HN       ILE   9   7.887  -4.871  -3.801
   81    HA   ILE   9           HA       ILE   9   8.600  -3.271  -6.052
   82    HB   ILE   9           HB       ILE   9   5.858  -4.449  -5.472
   83   1HG1  ILE   9           HG12     ILE   9   7.804  -6.072  -5.262
   84   2HG1  ILE   9           HG11     ILE   9   6.624  -6.486  -6.506
   85   1HG2  ILE   9           HG22     ILE   9   7.016  -3.008  -7.698
   86   2HG2  ILE   9           HG21     ILE   9   6.542  -4.632  -8.197
   87   3HG2  ILE   9           HG23     ILE   9   5.353  -3.550  -7.473
   88   1HD1  ILE   9           HD12     ILE   9   8.854  -4.728  -7.367
   89   2HD1  ILE   9           HD11     ILE   9   9.289  -6.391  -6.977
   90   3HD1  ILE   9           HD13     ILE   9   8.081  -6.065  -8.219
   91    H    ALA  10           HN       ALA  10   6.516  -2.833  -3.318
   92    HA   ALA  10           HA       ALA  10   5.398  -0.278  -4.271
   93   1HB   ALA  10           HB2      ALA  10   5.166  -1.854  -1.687
   94   2HB   ALA  10           HB1      ALA  10   4.456  -0.252  -1.890
   95   3HB   ALA  10           HB3      ALA  10   3.913  -1.592  -2.900
   96    H    ALA  11           HN       ALA  11   7.928  -1.563  -2.238
   97    HA   ALA  11           HA       ALA  11   8.630   0.756  -0.779
   98   1HB   ALA  11           HB2      ALA  11  10.412  -1.460  -1.791
   99   2HB   ALA  11           HB1      ALA  11  10.871  -0.271  -0.572
  100   3HB   ALA  11           HB3      ALA  11   9.578  -1.422  -0.238
  101    H    LYS  12           HN       LYS  12   9.168  -0.134  -4.103
  102    HA   LYS  12           HA       LYS  12  11.291   1.815  -4.570
  103   1HB   LYS  12           HB2      LYS  12  11.076  -0.278  -5.900
  104   2HB   LYS  12           HB1      LYS  12   9.560   0.331  -6.567
  105   1HG   LYS  12           HG2      LYS  12  11.314   0.837  -8.152
  106   2HG   LYS  12           HG1      LYS  12  10.826   2.352  -7.388
  107   1HD   LYS  12           HD2      LYS  12  13.263   2.236  -7.452
  108   2HD   LYS  12           HD1      LYS  12  12.716   2.104  -5.780
  109   1HE   LYS  12           HE2      LYS  12  13.856   0.169  -5.622
  110   2HE   LYS  12           HE1      LYS  12  12.729  -0.531  -6.786
  111   1HZ   LYS  12           HZ2      LYS  12  14.602   1.082  -8.136
  112   2HZ   LYS  12           HZ1      LYS  12  15.434  -0.015  -7.141
  113   3HZ   LYS  12           HZ3      LYS  12  14.328  -0.587  -8.293
  114    H    TYR  13           HN       TYR  13   7.893   1.979  -4.367
  115    HA   TYR  13           HA       TYR  13   7.452   4.106  -6.274
  116   1HB   TYR  13           HB2      TYR  13   5.866   3.098  -3.886
  117   2HB   TYR  13           HB1      TYR  13   5.326   4.465  -4.843
  118    HD1  TYR  13           HD1      TYR  13   6.985   1.287  -5.800
  119    HD2  TYR  13           HD2      TYR  13   3.473   3.750  -6.220
  120    HE1  TYR  13           HE1      TYR  13   6.099  -0.275  -7.489
  121    HE2  TYR  13           HE2      TYR  13   2.623   2.197  -7.917
  122    HH   TYR  13           HH       TYR  13   2.986  -0.377  -8.414
  123    H    LYS  14           HN       LYS  14   9.113   5.577  -5.908
  124    HA   LYS  14           HA       LYS  14  10.558   6.832  -4.332
  125   1HB   LYS  14           HB2      LYS  14   8.843   8.010  -6.107
  126   2HB   LYS  14           HB1      LYS  14   8.433   8.840  -4.607
  127   1HG   LYS  14           HG2      LYS  14  10.259   9.999  -5.818
  128   2HG   LYS  14           HG1      LYS  14  10.789   9.411  -4.244
  129   1HD   LYS  14           HD2      LYS  14  12.361   8.979  -6.235
  130   2HD   LYS  14           HD1      LYS  14  11.989   7.599  -5.204
  131   1HE   LYS  14           HE2      LYS  14  10.220   6.902  -6.795
  132   2HE   LYS  14           HE1      LYS  14  10.633   8.265  -7.835
  133   1HZ   LYS  14           HZ1      LYS  14  12.949   7.335  -7.860
  134   2HZ   LYS  14           HZ3      LYS  14  12.320   5.932  -7.143
  135   3HZ   LYS  14           HZ2      LYS  14  11.780   6.414  -8.680
  136    H    HIS  15           HN       HIS  15  10.855   6.747  -2.211
  137    HA   HIS  15           HA       HIS  15   8.904   6.350  -0.228
  138   1HB   HIS  15           HB2      HIS  15  10.638   7.145   1.374
  139   2HB   HIS  15           HB1      HIS  15  11.266   5.976   0.214
  140    HD1  HIS  15           HD1      HIS  15  13.109   8.072   1.623
  141    HD2  HIS  15           HD2      HIS  15  11.431   8.577  -2.160
  142    HE1  HIS  15           HE1      HIS  15  14.570   9.743   0.409
  143    H    SER  16           HN       SER  16   9.733   9.301  -1.874
  144    HA   SER  16           HA       SER  16   9.148  11.321  -0.080
  145   1HB   SER  16           HB2      SER  16   7.653  12.104  -2.272
  146   2HB   SER  16           HB1      SER  16   9.385  12.362  -2.078
  147    HG   SER  16           HG       SER  16   7.994  10.493  -3.602
  148    H    VAL  17           HN       VAL  17   6.571  10.034  -2.162
  149    HA   VAL  17           HA       VAL  17   4.785   9.798   0.186
  150    HB   VAL  17           HB       VAL  17   4.324  11.617  -2.189
  151   1HG1  VAL  17           HG11     VAL  17   2.389  10.053  -0.582
  152   2HG1  VAL  17           HG13     VAL  17   2.005  11.762  -0.781
  153   3HG1  VAL  17           HG12     VAL  17   2.219  10.736  -2.200
  154   1HG2  VAL  17           HG23     VAL  17   5.403  12.473  -0.067
  155   2HG2  VAL  17           HG22     VAL  17   3.891  13.278  -0.487
  156   3HG2  VAL  17           HG21     VAL  17   3.915  12.055   0.783
  157    H    VAL  18           HN       VAL  18   5.107   9.527  -3.342
  158    HA   VAL  18           HA       VAL  18   3.062   7.771  -3.992
  159    HB   VAL  18           HB       VAL  18   4.600   8.608  -5.674
  160   1HG1  VAL  18           HG13     VAL  18   6.612   6.960  -4.135
  161   2HG1  VAL  18           HG12     VAL  18   6.938   7.645  -5.725
  162   3HG1  VAL  18           HG11     VAL  18   6.618   8.707  -4.353
  163   1HG2  VAL  18           HG23     VAL  18   3.859   5.857  -5.414
  164   2HG2  VAL  18           HG22     VAL  18   4.135   6.770  -6.897
  165   3HG2  VAL  18           HG21     VAL  18   5.471   5.917  -6.125
  166    H    LYS  19           HN       LYS  19   5.869   7.105  -2.011
  167    HA   LYS  19           HA       LYS  19   5.816   4.237  -2.270
  168   1HB   LYS  19           HB2      LYS  19   7.802   4.917  -1.300
  169   2HB   LYS  19           HB1      LYS  19   7.037   6.217  -0.398
  170   1HG   LYS  19           HG2      LYS  19   6.704   4.887   1.421
  171   2HG   LYS  19           HG1      LYS  19   6.163   3.528   0.437
  172   1HD   LYS  19           HD2      LYS  19   8.222   2.588   0.377
  173   2HD   LYS  19           HD1      LYS  19   9.026   4.140   0.148
  174   1HE   LYS  19           HE2      LYS  19   9.228   4.529   2.416
  175   2HE   LYS  19           HE1      LYS  19   7.783   3.597   2.809
  176   1HZ   LYS  19           HZ3      LYS  19   9.362   1.706   1.782
  177   2HZ   LYS  19           HZ2      LYS  19  10.525   2.719   2.496
  178   3HZ   LYS  19           HZ1      LYS  19   9.273   2.063   3.438
  179    H    LYS  20           HN       LYS  20   5.056   5.901   0.785
  180    HA   LYS  20           HA       LYS  20   3.426   3.951   1.885
  181   1HB   LYS  20           HB2      LYS  20   4.007   5.916   3.179
  182   2HB   LYS  20           HB1      LYS  20   3.123   6.965   2.068
  183   1HG   LYS  20           HG2      LYS  20   1.665   6.655   3.924
  184   2HG   LYS  20           HG1      LYS  20   1.045   5.586   2.666
  185   1HD   LYS  20           HD2      LYS  20   1.218   3.891   4.140
  186   2HD   LYS  20           HD1      LYS  20   2.970   4.060   4.022
  187   1HE   LYS  20           HE2      LYS  20   3.088   5.443   5.929
  188   2HE   LYS  20           HE1      LYS  20   1.366   5.824   5.867
  189   1HZ   LYS  20           HZ1      LYS  20   1.417   3.119   6.083
  190   2HZ   LYS  20           HZ3      LYS  20   2.700   3.596   7.083
  191   3HZ   LYS  20           HZ2      LYS  20   1.140   4.207   7.358
  192    H    CYS  21           HN       CYS  21   2.684   6.018  -0.795
  193    HA   CYS  21           HA       CYS  21  -0.205   5.766  -0.753
  194   1HB   CYS  21           HB2      CYS  21   1.689   6.127  -3.076
  195   2HB   CYS  21           HB1      CYS  21  -0.051   6.348  -3.060
  196    H    CYS  22           HN       CYS  22   2.098   4.307  -3.072
  197    HA   CYS  22           HA       CYS  22   0.424   2.399  -4.118
  198   1HB   CYS  22           HB2      CYS  22   2.328   2.396  -5.240
  199   2HB   CYS  22           HB1      CYS  22   3.336   2.662  -3.828
  200    H    TYR  23           HN       TYR  23   2.324   2.248  -1.126
  201    HA   TYR  23           HA       TYR  23   1.679  -0.439  -0.422
  202   1HB   TYR  23           HB2      TYR  23   2.351   2.030   1.178
  203   2HB   TYR  23           HB1      TYR  23   1.853   0.550   1.998
  204    HD1  TYR  23           HD2      TYR  23   4.317   1.944  -0.410
  205    HD2  TYR  23           HD1      TYR  23   3.357  -1.286   2.245
  206    HE1  TYR  23           HE2      TYR  23   6.605   1.042  -0.690
  207    HE2  TYR  23           HE1      TYR  23   5.650  -2.198   1.960
  208    HH   TYR  23           HH       TYR  23   8.013  -1.045   1.294
  209    H    ASP  24           HN       ASP  24   0.073   2.656   0.246
  210    HA   ASP  24           HA       ASP  24  -2.161   1.823   1.687
  211   1HB   ASP  24           HB2      ASP  24  -1.675   4.044  -0.305
  212   2HB   ASP  24           HB1      ASP  24  -3.347   3.672   0.151
  213    H    GLY  25           HN       GLY  25  -1.763   1.870  -1.832
  214   1HA   GLY  25           HA2      GLY  25  -4.269   0.890  -2.619
  215   2HA   GLY  25           HA1      GLY  25  -2.771   0.621  -3.509
  216    H    ALA  26           HN       ALA  26  -1.291  -1.105  -2.310
  217    HA   ALA  26           HA       ALA  26  -2.989  -3.515  -2.136
  218   1HB   ALA  26           HB2      ALA  26   0.007  -3.101  -2.172
  219   2HB   ALA  26           HB1      ALA  26  -0.744  -4.688  -2.005
  220   3HB   ALA  26           HB3      ALA  26  -1.006  -3.738  -3.467
  221    H    SER  27           HN       SER  27  -2.498  -1.334   0.133
  222    HA   SER  27           HA       SER  27  -1.641  -3.208   2.257
  223   1HB   SER  27           HB2      SER  27  -1.839  -0.258   2.063
  224   2HB   SER  27           HB1      SER  27  -1.838  -1.017   3.638
  225    HG   SER  27           HG       SER  27   0.072  -1.743   1.708
  226    H    VAL  28           HN       VAL  28  -4.244  -0.853   1.636
  227    HA   VAL  28           HA       VAL  28  -5.793  -1.812   3.896
  228    HB   VAL  28           HB       VAL  28  -7.207  -0.423   1.675
  229   1HG1  VAL  28           HG11     VAL  28  -7.086  -0.414   4.672
  230   2HG1  VAL  28           HG13     VAL  28  -7.712   1.012   3.845
  231   3HG1  VAL  28           HG12     VAL  28  -8.488  -0.555   3.614
  232   1HG2  VAL  28           HG23     VAL  28  -4.670   0.525   2.846
  233   2HG2  VAL  28           HG22     VAL  28  -5.507   1.069   1.394
  234   3HG2  VAL  28           HG21     VAL  28  -5.995   1.681   2.974
  235    H    ASN  29           HN       ASN  29  -8.296  -2.340   3.168
  236    HA   ASN  29           HA       ASN  29  -8.477  -4.993   2.522
  237   1HB   ASN  29           HB2      ASN  29 -10.292  -2.830   2.646
  238   2HB   ASN  29           HB1      ASN  29 -10.621  -3.652   1.125
  239   1HD2  ASN  29           HD22     ASN  29 -10.954  -6.817   3.258
  240   2HD2  ASN  29           HD21     ASN  29  -9.720  -6.317   2.209
  241    H    ASN  30           HN       ASN  30  -9.147  -6.105   0.484
  242    HA   ASN  30           HA       ASN  30  -7.341  -5.936  -1.586
  243   1HB   ASN  30           HB2      ASN  30 -10.273  -6.685  -1.704
  244   2HB   ASN  30           HB1      ASN  30  -9.162  -6.927  -3.052
  245   1HD2  ASN  30           HD22     ASN  30  -7.150  -9.270  -0.968
  246   2HD2  ASN  30           HD21     ASN  30  -6.846  -7.822  -1.802
  247    H    ASP  31           HN       ASP  31 -10.050  -3.789  -1.005
  248    HA   ASP  31           HA       ASP  31  -9.040  -2.046  -3.152
  249   1HB   ASP  31           HB2      ASP  31 -11.587  -3.563  -3.311
  250   2HB   ASP  31           HB1      ASP  31 -11.658  -1.866  -3.789
  251    H    GLU  32           HN       GLU  32  -9.672  -2.126  -0.071
  252    HA   GLU  32           HA       GLU  32 -11.726  -0.317   0.538
  253   1HB   GLU  32           HB2      GLU  32 -10.673  -1.154   2.437
  254   2HB   GLU  32           HB1      GLU  32  -9.055  -0.846   1.812
  255   1HG   GLU  32           HG2      GLU  32  -9.048   1.304   2.584
  256   2HG   GLU  32           HG1      GLU  32 -10.743   1.559   2.170
  257    H    THR  33           HN       THR  33  -8.355   0.828   0.578
  258    HA   THR  33           HA       THR  33  -9.162   3.500  -0.218
  259    HB   THR  33           HB       THR  33  -6.343   2.451  -0.383
  260    HG1  THR  33           HG1      THR  33  -7.628   3.364   1.968
  261   1HG2  THR  33           HG22     THR  33  -7.211   4.850  -1.002
  262   2HG2  THR  33           HG21     THR  33  -7.234   5.079   0.747
  263   3HG2  THR  33           HG23     THR  33  -5.725   4.669  -0.069
  264    H    CYS  34           HN       CYS  34  -7.612   0.749  -1.807
  265    HA   CYS  34           HA       CYS  34  -6.773   1.567  -4.262
  266   1HB   CYS  34           HB2      CYS  34  -7.427  -0.820  -3.328
  267   2HB   CYS  34           HB1      CYS  34  -8.910  -0.540  -4.239
  268    H    GLU  35           HN       GLU  35 -10.135   1.553  -3.174
  269    HA   GLU  35           HA       GLU  35 -11.103   2.532  -5.788
  270   1HB   GLU  35           HB2      GLU  35 -12.266   0.875  -4.059
  271   2HB   GLU  35           HB1      GLU  35 -12.878   2.388  -3.392
  272   1HG   GLU  35           HG2      GLU  35 -14.462   2.344  -4.996
  273   2HG   GLU  35           HG1      GLU  35 -13.179   2.665  -6.163
  274    H    GLN  36           HN       GLN  36 -11.842   3.689  -2.478
  275    HA   GLN  36           HA       GLN  36 -12.717   6.222  -3.070
  276   1HB   GLN  36           HB2      GLN  36 -10.962   5.283  -0.803
  277   2HB   GLN  36           HB1      GLN  36 -11.530   6.951  -0.895
  278   1HG   GLN  36           HG2      GLN  36 -13.864   5.686  -1.340
  279   2HG   GLN  36           HG1      GLN  36 -13.062   4.455  -0.365
  280   1HE2  GLN  36           HE22     GLN  36 -13.404   6.264   2.642
  281   2HE2  GLN  36           HE21     GLN  36 -12.910   4.827   1.885
  282    H    ARG  37           HN       ARG  37  -9.455   5.079  -3.416
  283    HA   ARG  37           HA       ARG  37  -8.484   7.818  -3.956
  284   1HB   ARG  37           HB2      ARG  37  -7.310   5.355  -2.948
  285   2HB   ARG  37           HB1      ARG  37  -6.361   6.035  -4.267
  286   1HG   ARG  37           HG2      ARG  37  -5.716   6.869  -1.976
  287   2HG   ARG  37           HG1      ARG  37  -6.143   8.136  -3.117
  288   1HD   ARG  37           HD2      ARG  37  -8.566   7.810  -2.101
  289   2HD   ARG  37           HD1      ARG  37  -7.670   7.132  -0.741
  290    HE   ARG  37           HE       ARG  37  -6.374   9.522  -1.242
  291   1HH1  ARG  37           HH21     ARG  37  -9.640   8.528  -0.712
  292   2HH1  ARG  37           HH22     ARG  37 -10.105  10.016   0.043
  293   1HH2  ARG  37           HH12     ARG  37  -6.971  11.465  -0.259
  294   2HH2  ARG  37           HH11     ARG  37  -8.597  11.676   0.298
  295    H    ALA  38           HN       ALA  38  -8.610   4.581  -5.545
  296    HA   ALA  38           HA       ALA  38  -7.516   5.651  -8.020
  297   1HB   ALA  38           HB3      ALA  38  -7.482   3.205  -7.296
  298   2HB   ALA  38           HB2      ALA  38  -9.186   3.144  -7.745
  299   3HB   ALA  38           HB1      ALA  38  -7.964   3.501  -8.966
  300    H    ALA  39           HN       ALA  39 -10.803   4.578  -7.118
  301    HA   ALA  39           HA       ALA  39 -12.021   5.585  -9.520
  302   1HB   ALA  39           HB1      ALA  39 -12.966   4.536  -6.900
  303   2HB   ALA  39           HB3      ALA  39 -14.097   5.545  -7.801
  304   3HB   ALA  39           HB2      ALA  39 -13.447   4.080  -8.534
  305    H    ARG  40           HN       ARG  40 -13.025   6.776  -6.339
  306    HA   ARG  40           HA       ARG  40 -13.706   9.362  -7.249
  307   1HB   ARG  40           HB2      ARG  40 -14.013   8.067  -4.897
  308   2HB   ARG  40           HB1      ARG  40 -12.681   9.140  -4.466
  309   1HG   ARG  40           HG2      ARG  40 -13.934  11.076  -4.867
  310   2HG   ARG  40           HG1      ARG  40 -15.075  10.236  -5.919
  311   1HD   ARG  40           HD2      ARG  40 -16.288  10.550  -3.916
  312   2HD   ARG  40           HD1      ARG  40 -15.718   8.884  -3.805
  313    HE   ARG  40           HE       ARG  40 -13.720  10.352  -2.566
  314   1HH1  ARG  40           HH21     ARG  40 -17.150  10.056  -2.278
  315   2HH1  ARG  40           HH22     ARG  40 -17.165  10.398  -0.581
  316   1HH2  ARG  40           HH12     ARG  40 -13.731  10.799  -0.353
  317   2HH2  ARG  40           HH11     ARG  40 -15.233  10.819   0.507
  318    H    ILE  41           HN       ILE  41 -12.125  10.394  -8.473
  319    HA   ILE  41           HA       ILE  41  -9.672  11.198  -6.970
  320    HB   ILE  41           HB       ILE  41  -9.875  10.043  -9.752
  321   1HG1  ILE  41           HG12     ILE  41  -7.874   9.610  -7.517
  322   2HG1  ILE  41           HG11     ILE  41  -9.325   8.629  -7.736
  323   1HG2  ILE  41           HG22     ILE  41  -8.229  12.286  -8.908
  324   2HG2  ILE  41           HG21     ILE  41  -7.232  10.909  -9.372
  325   3HG2  ILE  41           HG23     ILE  41  -8.401  11.574 -10.512
  326   1HD1  ILE  41           HD13     ILE  41  -8.556   8.087 -10.053
  327   2HD1  ILE  41           HD12     ILE  41  -7.062   8.962  -9.725
  328   3HD1  ILE  41           HD11     ILE  41  -7.449   7.505  -8.810
  329    H    SER  42           HN       SER  42 -11.171  13.126  -6.652
  330    HA   SER  42           HA       SER  42 -12.184  14.768  -8.671
  331   1HB   SER  42           HB2      SER  42 -10.676  15.886  -6.299
  332   2HB   SER  42           HB1      SER  42 -12.066  16.583  -7.126
  333    HG   SER  42           HG       SER  42 -12.163  15.134  -5.018
  334    H    LEU  43           HN       LEU  43  -8.940  15.126  -7.205
  335    HA   LEU  43           HA       LEU  43  -7.982  16.117  -9.860
  336   1HB   LEU  43           HB2      LEU  43  -6.292  17.445  -8.462
  337   2HB   LEU  43           HB1      LEU  43  -7.956  18.025  -8.425
  338    HG   LEU  43           HG       LEU  43  -8.298  16.671  -6.325
  339   1HD1  LEU  43           HD13     LEU  43  -5.458  16.038  -6.937
  340   2HD1  LEU  43           HD12     LEU  43  -5.848  16.333  -5.243
  341   3HD1  LEU  43           HD11     LEU  43  -6.680  15.056  -6.130
  342   1HD2  LEU  43           HD21     LEU  43  -7.124  19.178  -6.689
  343   2HD2  LEU  43           HD23     LEU  43  -7.805  18.560  -5.184
  344   3HD2  LEU  43           HD22     LEU  43  -6.081  18.385  -5.509
  345    H    GLY  44           HN       GLY  44  -7.787  13.690  -7.585
  346   1HA   GLY  44           HA2      GLY  44  -6.282  11.942  -7.241
  347   2HA   GLY  44           HA1      GLY  44  -5.649  12.313  -8.843
  348    HA   PRO  45           HA       PRO  45  -3.289  14.839  -5.213
  349   1HB   PRO  45           HB2      PRO  45  -2.826  12.651  -3.424
  350   2HB   PRO  45           HB1      PRO  45  -3.675  14.163  -3.092
  351   1HG   PRO  45           HG2      PRO  45  -4.774  11.518  -3.453
  352   2HG   PRO  45           HG1      PRO  45  -5.598  13.002  -2.965
  353   1HD   PRO  45           HD2      PRO  45  -5.902  11.659  -5.409
  354   2HD   PRO  45           HD1      PRO  45  -6.475  13.288  -5.027
  355    H    ARG  46           HN       ARG  46  -2.650  11.326  -5.090
  356    HA   ARG  46           HA       ARG  46  -0.662  11.262  -7.117
  357   1HB   ARG  46           HB2      ARG  46   0.422  12.817  -5.358
  358   2HB   ARG  46           HB1      ARG  46   0.598  11.362  -4.375
  359   1HG   ARG  46           HG2      ARG  46   2.639  11.550  -5.592
  360   2HG   ARG  46           HG1      ARG  46   1.715  10.295  -6.417
  361   1HD   ARG  46           HD2      ARG  46   1.171  11.693  -8.216
  362   2HD   ARG  46           HD1      ARG  46   1.462  13.163  -7.286
  363    HE   ARG  46           HE       ARG  46   3.948  11.946  -7.391
  364   1HH1  ARG  46           HH21     ARG  46   1.527  12.885  -9.669
  365   2HH1  ARG  46           HH22     ARG  46   2.662  13.200 -10.939
  366   1HH2  ARG  46           HH12     ARG  46   5.435  12.354  -9.041
  367   2HH2  ARG  46           HH11     ARG  46   4.870  12.899 -10.585
  368    H    CYS  47           HN       CYS  47  -1.478  10.046  -3.860
  369    HA   CYS  47           HA       CYS  47  -0.380   7.456  -4.248
  370   1HB   CYS  47           HB2      CYS  47  -2.827   8.029  -2.551
  371   2HB   CYS  47           HB1      CYS  47  -1.697   6.719  -2.347
  372    H    ILE  48           HN       ILE  48  -3.287   8.917  -5.465
  373    HA   ILE  48           HA       ILE  48  -4.607   6.419  -5.965
  374    HB   ILE  48           HB       ILE  48  -6.065   7.729  -7.463
  375   1HG1  ILE  48           HG12     ILE  48  -5.448  10.313  -7.398
  376   2HG1  ILE  48           HG11     ILE  48  -3.811   9.689  -7.277
  377   1HG2  ILE  48           HG22     ILE  48  -5.304   9.184  -4.920
  378   2HG2  ILE  48           HG21     ILE  48  -6.802   9.437  -5.814
  379   3HG2  ILE  48           HG23     ILE  48  -6.477   7.877  -5.061
  380   1HD1  ILE  48           HD11     ILE  48  -5.184   8.190  -9.289
  381   2HD1  ILE  48           HD13     ILE  48  -5.450   9.905  -9.605
  382   3HD1  ILE  48           HD12     ILE  48  -3.808   9.274  -9.491
  383    H    LYS  49           HN       LYS  49  -2.704   8.564  -8.163
  384    HA   LYS  49           HA       LYS  49  -2.788   6.724 -10.354
  385   1HB   LYS  49           HB2      LYS  49  -1.535   9.236  -9.759
  386   2HB   LYS  49           HB1      LYS  49  -0.321   8.145 -10.428
  387   1HG   LYS  49           HG2      LYS  49  -2.714   7.792 -11.938
  388   2HG   LYS  49           HG1      LYS  49  -2.413   9.527 -11.812
  389   1HD   LYS  49           HD2      LYS  49   0.081   8.190 -12.294
  390   2HD   LYS  49           HD1      LYS  49  -1.093   7.655 -13.496
  391   1HE   LYS  49           HE2      LYS  49  -1.283  10.521 -13.026
  392   2HE   LYS  49           HE1      LYS  49   0.339  10.056 -13.539
  393   1HZ   LYS  49           HZ3      LYS  49  -0.736   8.781 -15.364
  394   2HZ   LYS  49           HZ2      LYS  49  -2.221   9.480 -14.924
  395   3HZ   LYS  49           HZ1      LYS  49  -0.948  10.461 -15.475
  396    H    ALA  50           HN       ALA  50  -0.053   7.404  -8.126
  397    HA   ALA  50           HA       ALA  50   1.607   5.257  -8.908
  398   1HB   ALA  50           HB2      ALA  50   1.186   6.286  -6.086
  399   2HB   ALA  50           HB1      ALA  50   2.568   5.346  -6.646
  400   3HB   ALA  50           HB3      ALA  50   2.308   6.979  -7.258
  401    H    PHE  51           HN       PHE  51  -0.622   5.345  -6.179
  402    HA   PHE  51           HA       PHE  51  -0.309   2.553  -5.773
  403   1HB   PHE  51           HB2      PHE  51  -1.207   3.004  -3.812
  404   2HB   PHE  51           HB1      PHE  51  -1.171   4.676  -4.254
  405    HD1  PHE  51           HD1      PHE  51  -3.557   4.355  -6.331
  406    HD2  PHE  51           HD2      PHE  51  -2.988   3.216  -2.256
  407    HE1  PHE  51           HE1      PHE  51  -5.998   4.344  -5.994
  408    HE2  PHE  51           HE2      PHE  51  -5.430   3.234  -1.910
  409    HZ   PHE  51           HZ       PHE  51  -6.941   3.782  -3.786
  410    H    THR  52           HN       THR  52  -2.085   4.152  -8.123
  411    HA   THR  52           HA       THR  52  -4.392   2.335  -8.153
  412    HB   THR  52           HB       THR  52  -3.428   4.585  -9.891
  413    HG1  THR  52           HG1      THR  52  -5.655   5.118  -9.642
  414   1HG2  THR  52           HG22     THR  52  -5.162   2.297 -10.819
  415   2HG2  THR  52           HG21     THR  52  -5.346   3.913 -11.498
  416   3HG2  THR  52           HG23     THR  52  -3.811   3.060 -11.656
  417    H    GLU  53           HN       GLU  53  -1.361   2.793  -9.945
  418    HA   GLU  53           HA       GLU  53  -1.817   0.364 -11.531
  419   1HB   GLU  53           HB2      GLU  53   0.910   1.550 -11.112
  420   2HB   GLU  53           HB1      GLU  53   0.209   0.860 -12.576
  421   1HG   GLU  53           HG2      GLU  53  -1.450   3.028 -11.964
  422   2HG   GLU  53           HG1      GLU  53   0.182   3.618 -11.650
  423    H    CYS  54           HN       CYS  54  -0.160   1.283  -8.578
  424    HA   CYS  54           HA       CYS  54   1.194  -1.246  -8.179
  425   1HB   CYS  54           HB2      CYS  54   2.116   0.587  -7.062
  426   2HB   CYS  54           HB1      CYS  54   0.557   1.156  -6.468
  427    H    CYS  55           HN       CYS  55  -1.925   0.072  -7.166
  428    HA   CYS  55           HA       CYS  55  -2.534  -2.212  -5.456
  429   1HB   CYS  55           HB2      CYS  55  -3.579  -0.009  -5.013
  430   2HB   CYS  55           HB1      CYS  55  -4.395  -0.068  -6.570
  431    H    VAL  56           HN       VAL  56  -3.805  -1.019  -8.574
  432    HA   VAL  56           HA       VAL  56  -5.439  -3.177  -9.245
  433    HB   VAL  56           HB       VAL  56  -5.011  -2.620 -11.607
  434   1HG1  VAL  56           HG12     VAL  56  -5.578  -0.613  -9.524
  435   2HG1  VAL  56           HG11     VAL  56  -5.094   0.071 -11.076
  436   3HG1  VAL  56           HG13     VAL  56  -6.485  -1.008 -10.984
  437   1HG2  VAL  56           HG23     VAL  56  -2.639  -1.210 -10.396
  438   2HG2  VAL  56           HG22     VAL  56  -2.688  -2.297 -11.783
  439   3HG2  VAL  56           HG21     VAL  56  -3.322  -0.658 -11.926
  440    H    VAL  57           HN       VAL  57  -1.902  -2.859  -9.909
  441    HA   VAL  57           HA       VAL  57  -1.643  -5.479 -11.015
  442    HB   VAL  57           HB       VAL  57   0.245  -4.025 -11.241
  443   1HG1  VAL  57           HG13     VAL  57  -0.446  -3.032  -8.796
  444   2HG1  VAL  57           HG12     VAL  57   0.985  -3.973  -8.381
  445   3HG1  VAL  57           HG11     VAL  57   1.088  -2.698  -9.595
  446   1HG2  VAL  57           HG22     VAL  57   0.752  -6.448 -10.870
  447   2HG2  VAL  57           HG21     VAL  57   2.059  -5.393 -10.332
  448   3HG2  VAL  57           HG23     VAL  57   0.962  -6.109  -9.152
  449    H    ALA  58           HN       ALA  58  -0.989  -4.396  -7.653
  450    HA   ALA  58           HA       ALA  58  -0.390  -6.659  -6.298
  451   1HB   ALA  58           HB1      ALA  58  -1.364  -4.249  -5.525
  452   2HB   ALA  58           HB3      ALA  58  -2.730  -5.287  -5.116
  453   3HB   ALA  58           HB2      ALA  58  -1.141  -5.605  -4.420
  454    H    SER  59           HN       SER  59  -3.789  -5.800  -6.913
  455    HA   SER  59           HA       SER  59  -4.920  -8.292  -6.150
  456   1HB   SER  59           HB2      SER  59  -6.161  -6.961  -8.478
  457   2HB   SER  59           HB1      SER  59  -6.872  -7.398  -6.928
  458    HG   SER  59           HG       SER  59  -6.730  -5.156  -7.092
  459    H    GLN  60           HN       GLN  60  -4.330  -7.095  -9.422
  460    HA   GLN  60           HA       GLN  60  -4.879  -9.209 -11.001
  461   1HB   GLN  60           HB2      GLN  60  -2.791  -7.122 -11.097
  462   2HB   GLN  60           HB1      GLN  60  -2.494  -8.525 -12.125
  463   1HG   GLN  60           HG2      GLN  60  -4.615  -8.256 -13.238
  464   2HG   GLN  60           HG1      GLN  60  -5.119  -7.015 -12.089
  465   1HE2  GLN  60           HE22     GLN  60  -3.835  -5.289 -15.150
  466   2HE2  GLN  60           HE21     GLN  60  -5.096  -6.379 -14.834
  467    H    LEU  61           HN       LEU  61  -1.429  -8.913  -9.981
  468    HA   LEU  61           HA       LEU  61  -0.972 -11.661 -10.551
  469   1HB   LEU  61           HB2      LEU  61   1.197 -11.439  -9.596
  470   2HB   LEU  61           HB1      LEU  61   0.828  -9.970 -10.473
  471    HG   LEU  61           HG       LEU  61   1.888  -9.301  -8.484
  472   1HD1  LEU  61           HD12     LEU  61  -1.067  -8.923  -8.244
  473   2HD1  LEU  61           HD11     LEU  61   0.070  -8.193  -7.128
  474   3HD1  LEU  61           HD13     LEU  61   0.145  -7.799  -8.839
  475   1HD2  LEU  61           HD22     LEU  61   0.651 -11.622  -7.365
  476   2HD2  LEU  61           HD21     LEU  61   1.965 -10.648  -6.709
  477   3HD2  LEU  61           HD23     LEU  61   0.292 -10.228  -6.348
  478    H    ARG  62           HN       ARG  62  -1.356 -10.252  -7.235
  479    HA   ARG  62           HA       ARG  62  -1.119 -12.562  -5.781
  480   1HB   ARG  62           HB2      ARG  62  -2.864 -10.169  -5.524
  481   2HB   ARG  62           HB1      ARG  62  -3.332 -11.572  -4.562
  482   1HG   ARG  62           HG2      ARG  62  -0.592 -11.475  -4.204
  483   2HG   ARG  62           HG1      ARG  62  -1.045  -9.772  -4.240
  484   1HD   ARG  62           HD2      ARG  62  -2.923 -11.349  -2.679
  485   2HD   ARG  62           HD1      ARG  62  -1.284 -11.502  -2.054
  486    HE   ARG  62           HE       ARG  62  -2.961  -9.257  -1.673
  487   1HH1  ARG  62           HH21     ARG  62   0.253  -9.953  -2.766
  488   2HH1  ARG  62           HH22     ARG  62   0.804  -8.330  -2.546
  489   1HH2  ARG  62           HH12     ARG  62  -2.232  -7.159  -1.366
  490   2HH2  ARG  62           HH11     ARG  62  -0.590  -6.757  -1.748
  491    H    ALA  63           HN       ALA  63  -3.777 -11.785  -7.958
  492    HA   ALA  63           HA       ALA  63  -5.569 -13.858  -7.129
  493   1HB   ALA  63           HB3      ALA  63  -5.146 -12.504  -9.809
  494   2HB   ALA  63           HB2      ALA  63  -6.438 -13.669  -9.512
  495   3HB   ALA  63           HB1      ALA  63  -6.396 -12.150  -8.615
  496    H    ASN  64           HN       ASN  64  -3.168 -13.779  -9.772
  497    HA   ASN  64           HA       ASN  64  -2.725 -16.688  -9.363
  498   1HB   ASN  64           HB2      ASN  64  -3.896 -15.405 -11.771
  499   2HB   ASN  64           HB1      ASN  64  -2.616 -16.580 -12.077
  500   1HD2  ASN  64           HD22     ASN  64  -5.991 -18.301 -11.764
  501   2HD2  ASN  64           HD21     ASN  64  -5.479 -16.971 -12.686
  502    H    ILE  65           HN       ILE  65  -0.961 -14.948  -8.433
  503    HA   ILE  65           HA       ILE  65   0.918 -13.703 -10.072
  504    HB   ILE  65           HB       ILE  65   2.171 -15.298  -7.910
  505   1HG1  ILE  65           HG12     ILE  65  -0.067 -13.332  -7.372
  506   2HG1  ILE  65           HG11     ILE  65   0.010 -15.015  -6.846
  507   1HG2  ILE  65           HG21     ILE  65   2.437 -12.772  -9.251
  508   2HG2  ILE  65           HG23     ILE  65   2.286 -12.487  -7.520
  509   3HG2  ILE  65           HG22     ILE  65   3.557 -13.542  -8.129
  510   1HD1  ILE  65           HD13     ILE  65   2.359 -14.004  -5.843
  511   2HD1  ILE  65           HD12     ILE  65   1.273 -12.625  -5.679
  512   3HD1  ILE  65           HD11     ILE  65   0.863 -14.163  -4.922
  513    H    SER  66           HN       SER  66   1.399 -14.727 -12.006
  514    HA   SER  66           HA       SER  66   3.228 -17.029 -11.816
  515   1HB   SER  66           HB2      SER  66   1.103 -18.181 -11.990
  516   2HB   SER  66           HB1      SER  66   0.598 -17.143 -13.321
  517    HG   SER  66           HG       SER  66   2.020 -18.126 -14.637
  518    H    HIS  67           HN       HIS  67   1.398 -14.916 -14.052
  519    HA   HIS  67           HA       HIS  67   3.364 -15.151 -16.164
  520   1HB   HIS  67           HB2      HIS  67   0.836 -13.773 -15.730
  521   2HB   HIS  67           HB1      HIS  67   2.002 -12.742 -16.561
  522    HD1  HIS  67           HD1      HIS  67   2.255 -13.138 -19.015
  523    HD2  HIS  67           HD2      HIS  67   0.591 -16.439 -17.087
  524    HE1  HIS  67           HE1      HIS  67   1.665 -14.804 -20.829
  525    H    LYS  68           HN       LYS  68   2.468 -11.980 -14.919
  526    HA   LYS  68           HA       LYS  68   5.166 -11.499 -13.851
  527   1HB   LYS  68           HB2      LYS  68   4.934 -11.105 -16.509
  528   2HB   LYS  68           HB1      LYS  68   4.348  -9.542 -15.939
  529   1HG   LYS  68           HG2      LYS  68   6.576  -9.028 -15.908
  530   2HG   LYS  68           HG1      LYS  68   6.520  -9.840 -14.342
  531   1HD   LYS  68           HD2      LYS  68   7.535 -11.757 -15.140
  532   2HD   LYS  68           HD1      LYS  68   6.923 -11.524 -16.778
  533   1HE   LYS  68           HE2      LYS  68   9.106 -10.907 -17.150
  534   2HE   LYS  68           HE1      LYS  68   8.485  -9.346 -16.614
  535   1HZ   LYS  68           HZ2      LYS  68   9.694 -11.365 -14.807
  536   2HZ   LYS  68           HZ1      LYS  68  10.545 -10.053 -15.471
  537   3HZ   LYS  68           HZ3      LYS  68   9.250  -9.773 -14.412
  538    H    ASP  69           HN       ASP  69   4.944  -8.630 -14.019
  539    HA   ASP  69           HA       ASP  69   2.482  -8.162 -12.384
  540   1HB   ASP  69           HB2      ASP  69   3.737  -6.765 -10.882
  541   2HB   ASP  69           HB1      ASP  69   4.640  -8.272 -11.045
  542    H    MET  70           HN       MET  70   1.923  -5.766 -12.314
  543    HA   MET  70           HA       MET  70   2.353  -4.621 -15.030
  544   1HB   MET  70           HB2      MET  70   0.032  -4.994 -13.639
  545   2HB   MET  70           HB1      MET  70   0.416  -3.328 -13.207
  546   1HG   MET  70           HG2      MET  70  -0.408  -2.690 -15.203
  547   2HG   MET  70           HG1      MET  70   0.941  -3.531 -15.968
  548   1HE   MET  70           HE3      MET  70  -2.627  -3.085 -15.646
  549   2HE   MET  70           HE2      MET  70  -1.976  -3.066 -17.283
  550   3HE   MET  70           HE1      MET  70  -3.208  -4.248 -16.845
  551    H    CYS  71           HN       CYS  71   1.755  -3.141 -11.827
  552    HA   CYS  71           HA       CYS  71   4.062  -1.325 -12.389
  553   1HB   CYS  71           HB2      CYS  71   1.287  -0.757 -11.716
  554   2HB   CYS  71           HB1      CYS  71   2.392  -0.020 -10.552
  555   1H    CYS  72           HN3      CYS  72   3.807   4.430 -11.947
  556   2H    CYS  72           HN2      CYS  72   2.385   3.520 -12.134
  557   3H    CYS  72           HN1      CYS  72   2.319   5.077 -11.457
  558    HA   CYS  72           HA       CYS  72   2.125   3.564  -9.663
  559   1HB   CYS  72           HB2      CYS  72   4.502   2.160  -9.563
  560   2HB   CYS  72           HB1      CYS  72   2.926   1.505  -9.961
  561    H    LEU  73           HN       LEU  73   5.608   3.543 -10.135
  562    HA   LEU  73           HA       LEU  73   6.307   4.720  -7.737
  563   1HB   LEU  73           HB2      LEU  73   8.450   5.289  -8.745
  564   2HB   LEU  73           HB1      LEU  73   7.910   3.737  -9.385
  565    HG   LEU  73           HG       LEU  73   6.817   5.817 -11.022
  566   1HD1  LEU  73           HD11     LEU  73   8.918   6.967  -9.945
  567   2HD1  LEU  73           HD13     LEU  73   9.823   5.918 -11.037
  568   3HD1  LEU  73           HD12     LEU  73   8.669   7.082 -11.687
  569   1HD2  LEU  73           HD21     LEU  73   7.583   3.319 -11.419
  570   2HD2  LEU  73           HD23     LEU  73   7.669   4.487 -12.738
  571   3HD2  LEU  73           HD22     LEU  73   9.124   4.072 -11.831
  572    H    GLY  74           HN       GLY  74   7.324   6.985  -7.460
  573   1HA   GLY  74           HA2      GLY  74   5.667   9.018  -8.901
  574   2HA   GLY  74           HA1      GLY  74   5.934   9.110  -7.159
  575   1HN   DAR  75           HN       ARG  75   6.732  11.031  -9.293
  576    HA   DAR  75           HA       ARG  75   9.508  10.902  -9.857
  577   1HB   DAR  75           HB1      ARG  75  10.497  12.244  -8.111
  578   2HB   DAR  75           HB2      ARG  75   9.638  10.917  -7.330
  579   1HG   DAR  75           HG1      ARG  75   7.709  12.919  -7.614
  580   2HG   DAR  75           HG2      ARG  75   9.169  13.788  -7.141
  581   1HD   DAR  75           HD1      ARG  75   9.142  11.492  -5.525
  582   2HD   DAR  75           HD2      ARG  75   7.471  12.046  -5.555
  583    HNE  DAR  75           HE       ARG  75   8.139  13.700  -4.069
  584   1HH1  DAR  75           HH11     ARG  75   9.359  15.474  -3.446
  585   2HH1  DAR  75           HH12     ARG  75  10.898  15.761  -4.187
  586   1HH2  DAR  75           HH21     ARG  75  10.745  12.980  -6.239
  587   2HH2  DAR  75           HH22     ARG  75  11.671  14.360  -5.768
   
  No H/Q in entry =         587
  Start of MODEL    8
    1   1H    MET   1           HN2      MET   1  16.894  -9.007   5.899
    2   2H    MET   1           HN1      MET   1  16.609 -10.649   6.225
    3   3H    MET   1           HN3      MET   1  18.166 -10.128   5.799
    4    HA   MET   1           HA       MET   1  17.469  -9.589   3.589
    5   1HB   MET   1           HB2      MET   1  16.589 -12.307   4.593
    6   2HB   MET   1           HB1      MET   1  16.658 -11.892   2.880
    7   1HG   MET   1           HG2      MET   1  19.027 -11.468   3.000
    8   2HG   MET   1           HG1      MET   1  19.016 -11.607   4.759
    9   1HE   MET   1           HE1      MET   1  19.892 -12.829   1.756
   10   2HE   MET   1           HE3      MET   1  21.066 -13.620   2.816
   11   3HE   MET   1           HE2      MET   1  20.014 -14.585   1.785
   12    H    LEU   2           HN       LEU   2  15.442 -10.597   2.098
   13    HA   LEU   2           HA       LEU   2  12.862  -9.910   3.349
   14   1HB   LEU   2           HB2      LEU   2  14.063  -8.317   1.067
   15   2HB   LEU   2           HB1      LEU   2  12.362  -8.242   1.528
   16    HG   LEU   2           HG       LEU   2  14.645  -7.681   3.438
   17   1HD1  LEU   2           HD12     LEU   2  13.886  -6.096   1.295
   18   2HD1  LEU   2           HD11     LEU   2  12.938  -5.438   2.630
   19   3HD1  LEU   2           HD13     LEU   2  14.697  -5.523   2.753
   20   1HD2  LEU   2           HD23     LEU   2  11.884  -8.196   3.809
   21   2HD2  LEU   2           HD22     LEU   2  13.031  -7.604   5.011
   22   3HD2  LEU   2           HD21     LEU   2  12.099  -6.462   4.044
   23    H    GLN   3           HN       GLN   3  11.116 -10.834   2.217
   24    HA   GLN   3           HA       GLN   3  11.733 -12.191  -0.359
   25   1HB   GLN   3           HB2      GLN   3  10.645 -14.261   0.450
   26   2HB   GLN   3           HB1      GLN   3  12.069 -13.871   1.417
   27   1HG   GLN   3           HG2      GLN   3  10.829 -13.320   3.275
   28   2HG   GLN   3           HG1      GLN   3   9.460 -12.744   2.321
   29   1HE2  GLN   3           HE22     GLN   3   8.919 -16.224   3.927
   30   2HE2  GLN   3           HE21     GLN   3   9.702 -14.864   4.575
   31    H    LYS   4           HN       LYS   4  10.037  -9.862   0.707
   32    HA   LYS   4           HA       LYS   4   7.280 -10.725   0.296
   33   1HB   LYS   4           HB2      LYS   4   6.850  -8.221   0.291
   34   2HB   LYS   4           HB1      LYS   4   7.630  -8.838   1.747
   35   1HG   LYS   4           HG2      LYS   4   9.669  -8.215  -0.163
   36   2HG   LYS   4           HG1      LYS   4   8.588  -6.827  -0.033
   37   1HD   LYS   4           HD2      LYS   4   8.892  -7.635   2.603
   38   2HD   LYS   4           HD1      LYS   4  10.498  -7.883   1.919
   39   1HE   LYS   4           HE2      LYS   4  10.863  -5.655   1.651
   40   2HE   LYS   4           HE1      LYS   4   9.211  -5.356   1.110
   41   1HZ   LYS   4           HZ3      LYS   4   9.172  -6.119   3.813
   42   2HZ   LYS   4           HZ2      LYS   4  10.304  -4.866   3.624
   43   3HZ   LYS   4           HZ1      LYS   4   8.695  -4.645   3.125
   44    H    LYS   5           HN       LYS   5   6.031  -9.188  -1.410
   45    HA   LYS   5           HA       LYS   5   7.574  -9.340  -3.969
   46   1HB   LYS   5           HB2      LYS   5   4.659 -10.008  -3.461
   47   2HB   LYS   5           HB1      LYS   5   5.378  -9.879  -5.067
   48   1HG   LYS   5           HG2      LYS   5   6.180 -11.974  -4.911
   49   2HG   LYS   5           HG1      LYS   5   7.042 -11.556  -3.430
   50   1HD   LYS   5           HD2      LYS   5   5.627 -13.138  -2.548
   51   2HD   LYS   5           HD1      LYS   5   4.556 -11.743  -2.423
   52   1HE   LYS   5           HE2      LYS   5   4.167 -12.618  -5.031
   53   2HE   LYS   5           HE1      LYS   5   4.319 -14.117  -4.114
   54   1HZ   LYS   5           HZ3      LYS   5   2.499 -11.868  -3.446
   55   2HZ   LYS   5           HZ2      LYS   5   2.032 -13.330  -4.174
   56   3HZ   LYS   5           HZ1      LYS   5   2.636 -13.324  -2.586
   57    H    ILE   6           HN       ILE   6   4.281  -8.193  -3.877
   58    HA   ILE   6           HA       ILE   6   4.961  -5.683  -5.045
   59    HB   ILE   6           HB       ILE   6   2.502  -6.874  -3.819
   60   1HG1  ILE   6           HG12     ILE   6   3.290  -7.107  -6.251
   61   2HG1  ILE   6           HG11     ILE   6   1.623  -6.581  -6.014
   62   1HG2  ILE   6           HG22     ILE   6   2.949  -3.926  -4.309
   63   2HG2  ILE   6           HG21     ILE   6   1.340  -4.643  -4.406
   64   3HG2  ILE   6           HG23     ILE   6   2.245  -4.707  -2.893
   65   1HD1  ILE   6           HD11     ILE   6   3.801  -4.522  -6.244
   66   2HD1  ILE   6           HD13     ILE   6   3.165  -5.281  -7.705
   67   3HD1  ILE   6           HD12     ILE   6   2.087  -4.379  -6.638
   68    H    GLU   7           HN       GLU   7   5.043  -6.776  -1.774
   69    HA   GLU   7           HA       GLU   7   4.591  -4.424  -0.303
   70   1HB   GLU   7           HB2      GLU   7   5.455  -6.926   0.333
   71   2HB   GLU   7           HB1      GLU   7   6.947  -6.008   0.539
   72   1HG   GLU   7           HG2      GLU   7   5.038  -4.377   1.716
   73   2HG   GLU   7           HG1      GLU   7   4.523  -6.000   2.178
   74    H    GLU   8           HN       GLU   8   7.872  -5.564  -1.224
   75    HA   GLU   8           HA       GLU   8   9.029  -2.957  -0.804
   76   1HB   GLU   8           HB2      GLU   8  11.033  -3.877  -1.837
   77   2HB   GLU   8           HB1      GLU   8  10.324  -5.131  -0.820
   78   1HG   GLU   8           HG2      GLU   8   9.102  -5.933  -2.930
   79   2HG   GLU   8           HG1      GLU   8  10.202  -4.887  -3.829
   80    H    ILE   9           HN       ILE   9   7.476  -4.516  -3.557
   81    HA   ILE   9           HA       ILE   9   8.361  -2.848  -5.660
   82    HB   ILE   9           HB       ILE   9   5.591  -3.949  -5.074
   83   1HG1  ILE   9           HG12     ILE   9   7.837  -4.778  -6.940
   84   2HG1  ILE   9           HG11     ILE   9   7.267  -5.659  -5.523
   85   1HG2  ILE   9           HG23     ILE   9   5.536  -1.896  -6.522
   86   2HG2  ILE   9           HG22     ILE   9   6.600  -2.725  -7.657
   87   3HG2  ILE   9           HG21     ILE   9   4.981  -3.352  -7.347
   88   1HD1  ILE   9           HD11     ILE   9   5.154  -5.017  -7.477
   89   2HD1  ILE   9           HD13     ILE   9   6.394  -6.115  -8.082
   90   3HD1  ILE   9           HD12     ILE   9   5.483  -6.527  -6.631
   91    H    ALA  10           HN       ALA  10   6.207  -2.331  -2.976
   92    HA   ALA  10           HA       ALA  10   5.475   0.403  -3.763
   93   1HB   ALA  10           HB2      ALA  10   4.000  -1.144  -2.357
   94   2HB   ALA  10           HB1      ALA  10   5.163  -0.926  -1.050
   95   3HB   ALA  10           HB3      ALA  10   4.265   0.459  -1.669
   96    H    ALA  11           HN       ALA  11   7.692  -1.307  -1.626
   97    HA   ALA  11           HA       ALA  11   8.730   0.786  -0.097
   98   1HB   ALA  11           HB1      ALA  11  10.192  -1.560  -1.310
   99   2HB   ALA  11           HB3      ALA  11  10.866  -0.505  -0.068
  100   3HB   ALA  11           HB2      ALA  11   9.448  -1.490   0.287
  101    H    LYS  12           HN       LYS  12   9.107   0.144  -3.494
  102    HA   LYS  12           HA       LYS  12  11.356   2.057  -3.734
  103   1HB   LYS  12           HB2      LYS  12  10.066   0.037  -5.523
  104   2HB   LYS  12           HB1      LYS  12  10.933   1.382  -6.264
  105   1HG   LYS  12           HG2      LYS  12  12.942   0.522  -5.697
  106   2HG   LYS  12           HG1      LYS  12  12.418   0.209  -4.040
  107   1HD   LYS  12           HD2      LYS  12  12.893  -1.933  -4.998
  108   2HD   LYS  12           HD1      LYS  12  11.135  -1.793  -4.960
  109   1HE   LYS  12           HE2      LYS  12  11.399  -2.476  -7.148
  110   2HE   LYS  12           HE1      LYS  12  11.540  -0.733  -7.377
  111   1HZ   LYS  12           HZ2      LYS  12  13.822  -2.589  -6.963
  112   2HZ   LYS  12           HZ1      LYS  12  13.333  -1.965  -8.466
  113   3HZ   LYS  12           HZ3      LYS  12  13.925  -0.921  -7.267
  114    H    TYR  13           HN       TYR  13   7.896   1.955  -4.241
  115    HA   TYR  13           HA       TYR  13   7.613   3.985  -6.185
  116   1HB   TYR  13           HB2      TYR  13   5.884   3.150  -3.848
  117   2HB   TYR  13           HB1      TYR  13   5.424   4.518  -4.847
  118    HD1  TYR  13           HD1      TYR  13   7.175   1.432  -5.852
  119    HD2  TYR  13           HD2      TYR  13   3.518   3.690  -6.138
  120    HE1  TYR  13           HE1      TYR  13   6.341  -0.146  -7.556
  121    HE2  TYR  13           HE2      TYR  13   2.716   2.127  -7.849
  122    HH   TYR  13           HH       TYR  13   3.041   0.041  -8.743
  123    H    LYS  14           HN       LYS  14   9.070   5.619  -5.997
  124    HA   LYS  14           HA       LYS  14  10.479   7.093  -4.577
  125   1HB   LYS  14           HB2      LYS  14   8.372   8.005  -6.237
  126   2HB   LYS  14           HB1      LYS  14   8.419   9.065  -4.828
  127   1HG   LYS  14           HG2      LYS  14   9.935   9.921  -6.545
  128   2HG   LYS  14           HG1      LYS  14  10.868   9.352  -5.161
  129   1HD   LYS  14           HD2      LYS  14  10.393   7.194  -7.042
  130   2HD   LYS  14           HD1      LYS  14  11.189   8.555  -7.833
  131   1HE   LYS  14           HE2      LYS  14  12.384   8.169  -5.253
  132   2HE   LYS  14           HE1      LYS  14  12.359   6.624  -6.103
  133   1HZ   LYS  14           HZ2      LYS  14  13.184   9.031  -7.561
  134   2HZ   LYS  14           HZ1      LYS  14  14.285   8.316  -6.484
  135   3HZ   LYS  14           HZ3      LYS  14  13.664   7.417  -7.782
  136    H    HIS  15           HN       HIS  15  10.846   7.266  -2.458
  137    HA   HIS  15           HA       HIS  15   8.926   6.927  -0.400
  138   1HB   HIS  15           HB2      HIS  15  10.667   7.876   1.100
  139   2HB   HIS  15           HB1      HIS  15  11.318   6.653   0.010
  140    HD1  HIS  15           HD1      HIS  15  13.074   8.948   1.253
  141    HD2  HIS  15           HD2      HIS  15  11.381   9.044  -2.555
  142    HE1  HIS  15           HE1      HIS  15  14.458  10.572  -0.106
  143    H    SER  16           HN       SER  16   9.677   9.731  -2.306
  144    HA   SER  16           HA       SER  16   9.092  11.898  -0.701
  145   1HB   SER  16           HB2      SER  16   7.568  11.877  -3.238
  146   2HB   SER  16           HB1      SER  16   8.735  13.051  -2.638
  147    HG   SER  16           HG       SER  16  10.374  11.505  -3.144
  148    H    VAL  17           HN       VAL  17   6.701   9.740  -2.204
  149    HA   VAL  17           HA       VAL  17   4.885   9.916   0.011
  150    HB   VAL  17           HB       VAL  17   4.684  12.228  -1.145
  151   1HG1  VAL  17           HG11     VAL  17   4.667  11.361  -3.461
  152   2HG1  VAL  17           HG13     VAL  17   3.160  10.508  -3.125
  153   3HG1  VAL  17           HG12     VAL  17   3.198  12.271  -3.106
  154   1HG2  VAL  17           HG21     VAL  17   2.658  10.373  -0.138
  155   2HG2  VAL  17           HG23     VAL  17   2.888  12.084   0.223
  156   3HG2  VAL  17           HG22     VAL  17   1.977  11.599  -1.208
  157    H    VAL  18           HN       VAL  18   5.083   9.541  -3.510
  158    HA   VAL  18           HA       VAL  18   3.003   7.769  -4.013
  159    HB   VAL  18           HB       VAL  18   4.334   8.512  -5.842
  160   1HG1  VAL  18           HG12     VAL  18   6.424   8.424  -4.105
  161   2HG1  VAL  18           HG11     VAL  18   6.773   7.014  -5.095
  162   3HG1  VAL  18           HG13     VAL  18   6.616   8.597  -5.846
  163   1HG2  VAL  18           HG21     VAL  18   3.896   5.752  -5.392
  164   2HG2  VAL  18           HG23     VAL  18   4.113   6.559  -6.943
  165   3HG2  VAL  18           HG22     VAL  18   5.505   5.888  -6.096
  166    H    LYS  19           HN       LYS  19   5.890   7.178  -2.140
  167    HA   LYS  19           HA       LYS  19   5.846   4.302  -2.305
  168   1HB   LYS  19           HB2      LYS  19   7.845   4.880  -1.363
  169   2HB   LYS  19           HB1      LYS  19   7.196   6.371  -0.691
  170   1HG   LYS  19           HG2      LYS  19   6.764   5.389   1.334
  171   2HG   LYS  19           HG1      LYS  19   6.208   3.887   0.598
  172   1HD   LYS  19           HD2      LYS  19   8.217   2.911   0.840
  173   2HD   LYS  19           HD1      LYS  19   9.055   4.303   0.155
  174   1HE   LYS  19           HE2      LYS  19   8.960   5.460   2.307
  175   2HE   LYS  19           HE1      LYS  19   8.028   4.133   3.003
  176   1HZ   LYS  19           HZ2      LYS  19   9.989   2.691   2.293
  177   2HZ   LYS  19           HZ1      LYS  19  10.852   4.148   2.140
  178   3HZ   LYS  19           HZ3      LYS  19  10.204   3.701   3.642
  179    H    LYS  20           HN       LYS  20   5.034   6.214   0.610
  180    HA   LYS  20           HA       LYS  20   3.493   4.262   1.881
  181   1HB   LYS  20           HB2      LYS  20   2.858   7.228   1.907
  182   2HB   LYS  20           HB1      LYS  20   2.475   6.051   3.164
  183   1HG   LYS  20           HG2      LYS  20   5.095   5.630   3.099
  184   2HG   LYS  20           HG1      LYS  20   5.114   7.271   2.450
  185   1HD   LYS  20           HD2      LYS  20   3.404   7.620   4.518
  186   2HD   LYS  20           HD1      LYS  20   4.400   6.320   5.171
  187   1HE   LYS  20           HE2      LYS  20   5.810   8.588   3.841
  188   2HE   LYS  20           HE1      LYS  20   5.103   8.890   5.428
  189   1HZ   LYS  20           HZ3      LYS  20   6.893   6.603   4.822
  190   2HZ   LYS  20           HZ2      LYS  20   7.426   8.071   5.490
  191   3HZ   LYS  20           HZ1      LYS  20   6.336   7.090   6.348
  192    H    CYS  21           HN       CYS  21   2.713   6.084  -0.942
  193    HA   CYS  21           HA       CYS  21  -0.183   5.802  -0.829
  194   1HB   CYS  21           HB2      CYS  21   1.662   6.094  -3.200
  195   2HB   CYS  21           HB1      CYS  21  -0.086   6.279  -3.161
  196    H    CYS  22           HN       CYS  22   2.125   4.282  -3.107
  197    HA   CYS  22           HA       CYS  22   0.508   2.272  -4.040
  198   1HB   CYS  22           HB2      CYS  22   2.481   2.366  -5.105
  199   2HB   CYS  22           HB1      CYS  22   3.443   2.483  -3.640
  200    H    TYR  23           HN       TYR  23   2.309   2.425  -1.001
  201    HA   TYR  23           HA       TYR  23   1.772  -0.240  -0.118
  202   1HB   TYR  23           HB2      TYR  23   2.433   2.350   1.239
  203   2HB   TYR  23           HB1      TYR  23   1.812   1.023   2.223
  204    HD1  TYR  23           HD2      TYR  23   4.532   2.121   0.011
  205    HD2  TYR  23           HD1      TYR  23   3.098  -1.024   2.543
  206    HE1  TYR  23           HE2      TYR  23   6.777   1.070  -0.039
  207    HE2  TYR  23           HE1      TYR  23   5.339  -2.090   2.485
  208    HH   TYR  23           HH       TYR  23   7.544  -1.704   1.983
  209    H    ASP  24           HN       ASP  24   0.092   2.848   0.372
  210    HA   ASP  24           HA       ASP  24  -2.166   2.042   1.794
  211   1HB   ASP  24           HB2      ASP  24  -1.660   4.166  -0.297
  212   2HB   ASP  24           HB1      ASP  24  -3.335   3.807   0.158
  213    H    GLY  25           HN       GLY  25  -1.476   1.704  -1.632
  214   1HA   GLY  25           HA2      GLY  25  -4.001   0.750  -2.515
  215   2HA   GLY  25           HA1      GLY  25  -2.448   0.426  -3.288
  216    H    ALA  26           HN       ALA  26  -1.023  -1.170  -1.895
  217    HA   ALA  26           HA       ALA  26  -2.611  -3.632  -1.719
  218   1HB   ALA  26           HB2      ALA  26   0.311  -2.961  -1.596
  219   2HB   ALA  26           HB1      ALA  26  -0.244  -4.547  -1.061
  220   3HB   ALA  26           HB3      ALA  26  -0.543  -4.021  -2.717
  221    H    SER  27           HN       SER  27  -2.329  -1.261   0.495
  222    HA   SER  27           HA       SER  27  -1.883  -3.098   2.788
  223   1HB   SER  27           HB2      SER  27  -1.595  -0.212   2.380
  224   2HB   SER  27           HB1      SER  27  -2.249  -0.676   3.938
  225    HG   SER  27           HG       SER  27  -0.086  -0.768   4.203
  226    H    VAL  28           HN       VAL  28  -4.123  -0.532   1.792
  227    HA   VAL  28           HA       VAL  28  -6.118  -0.989   3.725
  228    HB   VAL  28           HB       VAL  28  -7.610   0.147   2.167
  229   1HG1  VAL  28           HG13     VAL  28  -5.073   1.089   3.007
  230   2HG1  VAL  28           HG12     VAL  28  -5.317   1.685   1.366
  231   3HG1  VAL  28           HG11     VAL  28  -6.501   2.051   2.621
  232   1HG2  VAL  28           HG23     VAL  28  -5.632  -0.918   0.219
  233   2HG2  VAL  28           HG22     VAL  28  -7.370  -0.685   0.036
  234   3HG2  VAL  28           HG21     VAL  28  -6.275   0.687  -0.124
  235    H    ASN  29           HN       ASN  29  -8.291  -2.020   3.323
  236    HA   ASN  29           HA       ASN  29  -8.227  -4.744   2.901
  237   1HB   ASN  29           HB2      ASN  29 -10.252  -2.852   3.234
  238   2HB   ASN  29           HB1      ASN  29 -10.646  -3.628   1.703
  239   1HD2  ASN  29           HD22     ASN  29 -10.773  -5.827   5.164
  240   2HD2  ASN  29           HD21     ASN  29  -9.986  -4.322   5.153
  241    H    ASN  30           HN       ASN  30  -9.121  -6.028   1.016
  242    HA   ASN  30           HA       ASN  30  -7.578  -5.879  -1.265
  243   1HB   ASN  30           HB2      ASN  30 -10.075  -7.170  -0.532
  244   2HB   ASN  30           HB1      ASN  30 -10.075  -6.715  -2.235
  245   1HD2  ASN  30           HD22     ASN  30  -8.081  -9.495  -3.028
  246   2HD2  ASN  30           HD21     ASN  30  -9.373  -8.478  -3.446
  247    H    ASP  31           HN       ASP  31 -10.346  -3.882  -0.470
  248    HA   ASP  31           HA       ASP  31  -9.734  -2.217  -2.838
  249   1HB   ASP  31           HB2      ASP  31 -12.123  -2.124  -3.502
  250   2HB   ASP  31           HB1      ASP  31 -11.463  -3.752  -3.653
  251    H    GLU  32           HN       GLU  32  -9.961  -2.224   0.341
  252    HA   GLU  32           HA       GLU  32 -11.879  -0.365   1.171
  253   1HB   GLU  32           HB2      GLU  32 -10.594  -1.145   2.934
  254   2HB   GLU  32           HB1      GLU  32  -9.082  -0.960   2.053
  255   1HG   GLU  32           HG2      GLU  32  -8.996   1.365   2.463
  256   2HG   GLU  32           HG1      GLU  32 -10.714   1.445   2.857
  257    H    THR  33           HN       THR  33  -8.533   0.707   0.698
  258    HA   THR  33           HA       THR  33  -9.533   3.288  -0.340
  259    HB   THR  33           HB       THR  33  -6.719   2.428   0.371
  260    HG1  THR  33           HG1      THR  33  -8.802   3.686   1.774
  261   1HG2  THR  33           HG22     THR  33  -7.957   5.047  -0.457
  262   2HG2  THR  33           HG21     THR  33  -6.431   4.974   0.424
  263   3HG2  THR  33           HG23     THR  33  -6.568   4.222  -1.166
  264    H    CYS  34           HN       CYS  34  -7.875   0.397  -1.401
  265    HA   CYS  34           HA       CYS  34  -6.501   1.101  -3.704
  266   1HB   CYS  34           HB2      CYS  34  -7.218  -1.248  -2.790
  267   2HB   CYS  34           HB1      CYS  34  -8.611  -1.051  -3.854
  268    H    GLU  35           HN       GLU  35 -10.004   0.998  -3.243
  269    HA   GLU  35           HA       GLU  35 -10.472   2.014  -5.989
  270   1HB   GLU  35           HB2      GLU  35 -11.878   0.169  -4.984
  271   2HB   GLU  35           HB1      GLU  35 -12.521   1.363  -3.856
  272   1HG   GLU  35           HG2      GLU  35 -13.430   2.684  -5.662
  273   2HG   GLU  35           HG1      GLU  35 -12.623   1.680  -6.867
  274    H    GLN  36           HN       GLN  36 -11.605   2.940  -2.699
  275    HA   GLN  36           HA       GLN  36 -12.711   5.408  -3.258
  276   1HB   GLN  36           HB2      GLN  36 -10.956   4.588  -0.935
  277   2HB   GLN  36           HB1      GLN  36 -11.763   6.155  -0.998
  278   1HG   GLN  36           HG2      GLN  36 -13.900   4.714  -1.527
  279   2HG   GLN  36           HG1      GLN  36 -12.970   3.413  -0.782
  280   1HE2  GLN  36           HE22     GLN  36 -14.075   4.539   2.367
  281   2HE2  GLN  36           HE21     GLN  36 -13.929   3.245   1.280
  282    H    ARG  37           HN       ARG  37  -9.364   4.534  -3.426
  283    HA   ARG  37           HA       ARG  37  -8.568   7.344  -3.907
  284   1HB   ARG  37           HB2      ARG  37  -7.234   4.941  -2.882
  285   2HB   ARG  37           HB1      ARG  37  -6.280   5.798  -4.092
  286   1HG   ARG  37           HG2      ARG  37  -5.925   6.556  -1.694
  287   2HG   ARG  37           HG1      ARG  37  -6.353   7.832  -2.830
  288   1HD   ARG  37           HD2      ARG  37  -8.286   8.274  -1.745
  289   2HD   ARG  37           HD1      ARG  37  -8.713   6.565  -1.672
  290    HE   ARG  37           HE       ARG  37  -6.717   6.838   0.235
  291   1HH1  ARG  37           HH21     ARG  37  -9.736   8.362  -0.475
  292   2HH1  ARG  37           HH22     ARG  37 -10.075   8.748   1.179
  293   1HH2  ARG  37           HH12     ARG  37  -7.151   7.338   2.393
  294   2HH2  ARG  37           HH11     ARG  37  -8.614   8.170   2.800
  295    H    ALA  38           HN       ALA  38  -8.345   4.089  -5.424
  296    HA   ALA  38           HA       ALA  38  -7.127   4.983  -7.845
  297   1HB   ALA  38           HB1      ALA  38  -8.999   2.660  -7.312
  298   2HB   ALA  38           HB3      ALA  38  -8.158   2.907  -8.842
  299   3HB   ALA  38           HB2      ALA  38  -7.236   2.615  -7.367
  300    H    ALA  39           HN       ALA  39 -10.583   4.207  -7.318
  301    HA   ALA  39           HA       ALA  39 -11.315   5.703  -9.732
  302   1HB   ALA  39           HB2      ALA  39 -12.975   4.294  -7.622
  303   2HB   ALA  39           HB1      ALA  39 -13.652   5.069  -9.054
  304   3HB   ALA  39           HB3      ALA  39 -12.570   3.687  -9.227
  305    H    ARG  40           HN       ARG  40 -12.969   5.919  -6.596
  306    HA   ARG  40           HA       ARG  40 -13.868   8.522  -6.766
  307   1HB   ARG  40           HB2      ARG  40 -12.795   7.041  -4.354
  308   2HB   ARG  40           HB1      ARG  40 -13.587   8.612  -4.232
  309   1HG   ARG  40           HG2      ARG  40 -14.934   6.383  -5.730
  310   2HG   ARG  40           HG1      ARG  40 -15.014   6.422  -3.968
  311   1HD   ARG  40           HD2      ARG  40 -16.375   8.255  -3.938
  312   2HD   ARG  40           HD1      ARG  40 -15.576   8.995  -5.327
  313    HE   ARG  40           HE       ARG  40 -16.921   6.837  -6.418
  314   1HH1  ARG  40           HH21     ARG  40 -17.733   9.513  -4.392
  315   2HH1  ARG  40           HH22     ARG  40 -19.358   9.630  -4.980
  316   1HH2  ARG  40           HH12     ARG  40 -19.036   6.981  -7.191
  317   2HH2  ARG  40           HH11     ARG  40 -20.095   8.198  -6.561
  318    H    ILE  41           HN       ILE  41 -12.441   9.950  -7.807
  319    HA   ILE  41           HA       ILE  41 -10.089  10.784  -6.163
  320    HB   ILE  41           HB       ILE  41 -10.211  10.095  -9.089
  321   1HG1  ILE  41           HG12     ILE  41  -7.947   9.783  -7.110
  322   2HG1  ILE  41           HG11     ILE  41  -9.267   8.612  -7.214
  323   1HG2  ILE  41           HG21     ILE  41  -8.905  12.453  -7.948
  324   2HG2  ILE  41           HG23     ILE  41  -7.767  11.374  -8.753
  325   3HG2  ILE  41           HG22     ILE  41  -9.151  12.017  -9.637
  326   1HD1  ILE  41           HD13     ILE  41  -7.596   9.467  -9.590
  327   2HD1  ILE  41           HD12     ILE  41  -7.266   8.023  -8.634
  328   3HD1  ILE  41           HD11     ILE  41  -8.774   8.158  -9.536
  329    H    SER  42           HN       SER  42 -11.596  12.484  -5.409
  330    HA   SER  42           HA       SER  42 -12.866  14.324  -7.201
  331   1HB   SER  42           HB2      SER  42 -12.167  14.275  -4.313
  332   2HB   SER  42           HB1      SER  42 -12.387  15.871  -5.024
  333    HG   SER  42           HG       SER  42 -14.283  14.477  -4.169
  334    H    LEU  43           HN       LEU  43  -9.593  13.799  -6.381
  335    HA   LEU  43           HA       LEU  43  -8.781  16.122  -8.007
  336   1HB   LEU  43           HB2      LEU  43  -8.798  17.032  -5.743
  337   2HB   LEU  43           HB1      LEU  43  -7.870  15.657  -5.151
  338    HG   LEU  43           HG       LEU  43  -6.593  17.841  -5.644
  339   1HD1  LEU  43           HD12     LEU  43  -5.905  15.114  -5.861
  340   2HD1  LEU  43           HD11     LEU  43  -5.119  15.924  -7.216
  341   3HD1  LEU  43           HD13     LEU  43  -4.816  16.470  -5.567
  342   1HD2  LEU  43           HD23     LEU  43  -7.825  17.923  -7.969
  343   2HD2  LEU  43           HD22     LEU  43  -6.142  18.437  -7.858
  344   3HD2  LEU  43           HD21     LEU  43  -6.535  16.833  -8.473
  345    H    GLY  44           HN       GLY  44  -7.818  13.239  -6.154
  346   1HA   GLY  44           HA2      GLY  44  -6.357  11.502  -6.798
  347   2HA   GLY  44           HA1      GLY  44  -6.164  12.291  -8.364
  348    HA   PRO  45           HA       PRO  45  -3.334  14.742  -5.016
  349   1HB   PRO  45           HB2      PRO  45  -2.748  12.454  -3.313
  350   2HB   PRO  45           HB1      PRO  45  -3.302  14.068  -2.855
  351   1HG   PRO  45           HG2      PRO  45  -4.816  11.652  -2.908
  352   2HG   PRO  45           HG1      PRO  45  -5.379  13.276  -2.501
  353   1HD   PRO  45           HD2      PRO  45  -6.111  11.762  -4.766
  354   2HD   PRO  45           HD1      PRO  45  -6.455  13.475  -4.478
  355    H    ARG  46           HN       ARG  46  -2.659  11.237  -4.944
  356    HA   ARG  46           HA       ARG  46  -0.934  11.170  -7.195
  357   1HB   ARG  46           HB2      ARG  46   0.339  12.753  -5.589
  358   2HB   ARG  46           HB1      ARG  46   0.659  11.305  -4.634
  359   1HG   ARG  46           HG2      ARG  46   2.523  11.411  -6.064
  360   2HG   ARG  46           HG1      ARG  46   1.457  10.273  -6.888
  361   1HD   ARG  46           HD2      ARG  46   0.733  11.917  -8.448
  362   2HD   ARG  46           HD1      ARG  46   1.401  13.235  -7.484
  363    HE   ARG  46           HE       ARG  46   3.613  11.689  -8.102
  364   1HH1  ARG  46           HH21     ARG  46   1.033  13.168  -9.861
  365   2HH1  ARG  46           HH22     ARG  46   1.983  13.430 -11.284
  366   1HH2  ARG  46           HH12     ARG  46   4.860  12.027  -9.953
  367   2HH2  ARG  46           HH11     ARG  46   4.146  12.786 -11.337
  368    H    CYS  47           HN       CYS  47  -1.681   9.951  -3.961
  369    HA   CYS  47           HA       CYS  47  -0.430   7.414  -4.304
  370   1HB   CYS  47           HB2      CYS  47  -2.894   7.935  -2.615
  371   2HB   CYS  47           HB1      CYS  47  -1.759   6.621  -2.420
  372    H    ILE  48           HN       ILE  48  -3.466   8.694  -5.481
  373    HA   ILE  48           HA       ILE  48  -4.580   6.106  -6.012
  374    HB   ILE  48           HB       ILE  48  -6.223   7.243  -7.335
  375   1HG1  ILE  48           HG12     ILE  48  -5.861   9.786  -7.755
  376   2HG1  ILE  48           HG11     ILE  48  -4.153   9.424  -7.546
  377   1HG2  ILE  48           HG22     ILE  48  -6.045   7.714  -4.804
  378   2HG2  ILE  48           HG21     ILE  48  -5.476   9.313  -5.284
  379   3HG2  ILE  48           HG23     ILE  48  -7.084   8.769  -5.763
  380   1HD1  ILE  48           HD11     ILE  48  -5.192   7.421  -9.262
  381   2HD1  ILE  48           HD13     ILE  48  -5.828   8.959  -9.846
  382   3HD1  ILE  48           HD12     ILE  48  -4.087   8.728  -9.689
  383    H    LYS  49           HN       LYS  49  -2.727   8.393  -8.095
  384    HA   LYS  49           HA       LYS  49  -2.719   6.637 -10.370
  385   1HB   LYS  49           HB2      LYS  49  -1.228   9.053  -9.509
  386   2HB   LYS  49           HB1      LYS  49  -0.400   8.019 -10.675
  387   1HG   LYS  49           HG2      LYS  49  -2.744   8.035 -11.891
  388   2HG   LYS  49           HG1      LYS  49  -2.977   9.524 -10.975
  389   1HD   LYS  49           HD2      LYS  49  -0.333   9.497 -12.131
  390   2HD   LYS  49           HD1      LYS  49  -1.537   9.210 -13.387
  391   1HE   LYS  49           HE2      LYS  49  -1.930  11.406 -11.363
  392   2HE   LYS  49           HE1      LYS  49  -0.939  11.673 -12.797
  393   1HZ   LYS  49           HZ2      LYS  49  -3.671  10.554 -12.975
  394   2HZ   LYS  49           HZ1      LYS  49  -3.391  12.231 -12.967
  395   3HZ   LYS  49           HZ3      LYS  49  -2.739  11.269 -14.203
  396    H    ALA  50           HN       ALA  50  -0.041   7.335  -8.091
  397    HA   ALA  50           HA       ALA  50   1.711   5.266  -8.861
  398   1HB   ALA  50           HB1      ALA  50   1.129   6.222  -6.041
  399   2HB   ALA  50           HB3      ALA  50   2.546   5.299  -6.535
  400   3HB   ALA  50           HB2      ALA  50   2.309   6.940  -7.138
  401    H    PHE  51           HN       PHE  51  -0.467   5.210  -6.114
  402    HA   PHE  51           HA       PHE  51  -0.170   2.435  -5.769
  403   1HB   PHE  51           HB2      PHE  51  -1.121   2.869  -3.841
  404   2HB   PHE  51           HB1      PHE  51  -1.130   4.540  -4.287
  405    HD1  PHE  51           HD1      PHE  51  -3.443   4.173  -6.404
  406    HD2  PHE  51           HD2      PHE  51  -2.926   2.979  -2.342
  407    HE1  PHE  51           HE1      PHE  51  -5.888   4.095  -6.110
  408    HE2  PHE  51           HE2      PHE  51  -5.372   2.935  -2.039
  409    HZ   PHE  51           HZ       PHE  51  -6.858   3.482  -3.940
  410    H    THR  52           HN       THR  52  -1.946   4.075  -8.134
  411    HA   THR  52           HA       THR  52  -4.179   2.203  -8.313
  412    HB   THR  52           HB       THR  52  -3.157   4.467  -9.980
  413    HG1  THR  52           HG1      THR  52  -5.583   3.530  -8.918
  414   1HG2  THR  52           HG21     THR  52  -4.898   2.261 -11.124
  415   2HG2  THR  52           HG23     THR  52  -4.595   3.819 -11.894
  416   3HG2  THR  52           HG22     THR  52  -3.271   2.677 -11.662
  417    H    GLU  53           HN       GLU  53  -1.247   2.772 -10.298
  418    HA   GLU  53           HA       GLU  53  -1.527   0.237 -11.685
  419   1HB   GLU  53           HB2      GLU  53   1.137   1.570 -11.241
  420   2HB   GLU  53           HB1      GLU  53   0.548   0.725 -12.673
  421   1HG   GLU  53           HG2      GLU  53  -1.280   2.726 -12.517
  422   2HG   GLU  53           HG1      GLU  53   0.131   3.537 -11.836
  423    H    CYS  54           HN       CYS  54  -0.083   1.234  -8.666
  424    HA   CYS  54           HA       CYS  54   1.351  -1.257  -8.235
  425   1HB   CYS  54           HB2      CYS  54   2.236   0.516  -7.037
  426   2HB   CYS  54           HB1      CYS  54   0.656   1.166  -6.602
  427    H    CYS  55           HN       CYS  55  -1.266   0.026  -6.185
  428    HA   CYS  55           HA       CYS  55  -2.177  -2.279  -5.027
  429   1HB   CYS  55           HB2      CYS  55  -3.174   0.087  -4.844
  430   2HB   CYS  55           HB1      CYS  55  -4.175  -0.338  -6.221
  431    H    VAL  56           HN       VAL  56  -3.114  -1.205  -8.323
  432    HA   VAL  56           HA       VAL  56  -4.831  -3.432  -8.813
  433    HB   VAL  56           HB       VAL  56  -4.680  -2.879 -11.178
  434   1HG1  VAL  56           HG11     VAL  56  -5.000  -0.782  -9.105
  435   2HG1  VAL  56           HG13     VAL  56  -4.848  -0.210 -10.766
  436   3HG1  VAL  56           HG12     VAL  56  -6.136  -1.335 -10.335
  437   1HG2  VAL  56           HG23     VAL  56  -2.224  -1.403 -10.277
  438   2HG2  VAL  56           HG22     VAL  56  -2.418  -2.492 -11.648
  439   3HG2  VAL  56           HG21     VAL  56  -3.098  -0.865 -11.710
  440    H    VAL  57           HN       VAL  57  -1.380  -2.992  -9.902
  441    HA   VAL  57           HA       VAL  57  -1.106  -5.552 -11.017
  442    HB   VAL  57           HB       VAL  57   0.766  -3.994 -11.103
  443   1HG1  VAL  57           HG11     VAL  57   0.680  -4.285  -8.107
  444   2HG1  VAL  57           HG13     VAL  57   2.173  -3.836  -8.922
  445   3HG1  VAL  57           HG12     VAL  57   0.749  -2.814  -9.071
  446   1HG2  VAL  57           HG22     VAL  57   1.111  -6.543 -11.064
  447   2HG2  VAL  57           HG21     VAL  57   2.529  -5.547 -10.738
  448   3HG2  VAL  57           HG23     VAL  57   1.673  -6.324  -9.407
  449    H    ALA  58           HN       ALA  58  -1.027  -4.641  -7.590
  450    HA   ALA  58           HA       ALA  58  -0.285  -7.153  -6.510
  451   1HB   ALA  58           HB1      ALA  58  -0.730  -4.806  -5.371
  452   2HB   ALA  58           HB3      ALA  58  -2.346  -5.470  -5.133
  453   3HB   ALA  58           HB2      ALA  58  -0.943  -6.296  -4.453
  454    H    SER  59           HN       SER  59  -3.542  -5.825  -7.115
  455    HA   SER  59           HA       SER  59  -4.913  -8.263  -6.405
  456   1HB   SER  59           HB2      SER  59  -6.270  -6.671  -8.441
  457   2HB   SER  59           HB1      SER  59  -6.770  -7.030  -6.789
  458    HG   SER  59           HG       SER  59  -6.199  -5.065  -6.343
  459    H    GLN  60           HN       GLN  60  -4.698  -6.787  -9.620
  460    HA   GLN  60           HA       GLN  60  -5.478  -8.709 -11.306
  461   1HB   GLN  60           HB2      GLN  60  -3.075  -6.917 -11.481
  462   2HB   GLN  60           HB1      GLN  60  -3.403  -8.070 -12.775
  463   1HG   GLN  60           HG2      GLN  60  -5.460  -6.107 -11.735
  464   2HG   GLN  60           HG1      GLN  60  -4.426  -5.784 -13.126
  465   1HE2  GLN  60           HE22     GLN  60  -5.973  -8.656 -14.931
  466   2HE2  GLN  60           HE21     GLN  60  -4.399  -8.228 -14.458
  467    H    LEU  61           HN       LEU  61  -2.037  -8.762 -10.150
  468    HA   LEU  61           HA       LEU  61  -1.705 -11.437 -11.224
  469   1HB   LEU  61           HB2      LEU  61  -0.043 -10.541  -8.919
  470   2HB   LEU  61           HB1      LEU  61   0.407 -11.490 -10.321
  471    HG   LEU  61           HG       LEU  61   0.443  -8.606  -9.908
  472   1HD1  LEU  61           HD13     LEU  61   2.344 -10.299 -10.342
  473   2HD1  LEU  61           HD12     LEU  61   1.848 -10.190 -12.031
  474   3HD1  LEU  61           HD11     LEU  61   2.403  -8.748 -11.180
  475   1HD2  LEU  61           HD22     LEU  61  -0.957  -9.790 -12.242
  476   2HD2  LEU  61           HD21     LEU  61  -1.059  -8.153 -11.594
  477   3HD2  LEU  61           HD23     LEU  61   0.285  -8.606 -12.640
  478    H    ARG  62           HN       ARG  62  -2.024 -10.236  -7.885
  479    HA   ARG  62           HA       ARG  62  -2.031 -12.463  -6.369
  480   1HB   ARG  62           HB2      ARG  62  -3.893 -10.129  -6.376
  481   2HB   ARG  62           HB1      ARG  62  -4.330 -11.502  -5.358
  482   1HG   ARG  62           HG2      ARG  62  -1.493 -10.791  -5.158
  483   2HG   ARG  62           HG1      ARG  62  -2.569  -9.485  -4.656
  484   1HD   ARG  62           HD2      ARG  62  -3.697 -11.789  -3.550
  485   2HD   ARG  62           HD1      ARG  62  -1.965 -11.995  -3.306
  486    HE   ARG  62           HE       ARG  62  -3.623 -10.278  -1.789
  487   1HH1  ARG  62           HH21     ARG  62  -0.646 -10.137  -3.557
  488   2HH1  ARG  62           HH22     ARG  62  -0.125  -8.679  -2.789
  489   1HH2  ARG  62           HH12     ARG  62  -2.927  -8.398  -0.780
  490   2HH2  ARG  62           HH11     ARG  62  -1.402  -7.703  -1.218
  491    H    ALA  63           HN       ALA  63  -4.625 -11.702  -8.668
  492    HA   ALA  63           HA       ALA  63  -6.294 -13.947  -8.038
  493   1HB   ALA  63           HB1      ALA  63  -6.316 -11.870  -9.935
  494   2HB   ALA  63           HB3      ALA  63  -6.222 -13.350 -10.889
  495   3HB   ALA  63           HB2      ALA  63  -7.542 -13.123  -9.742
  496    H    ASN  64           HN       ASN  64  -3.934 -13.536 -10.700
  497    HA   ASN  64           HA       ASN  64  -3.196 -16.411 -10.352
  498   1HB   ASN  64           HB2      ASN  64  -4.778 -15.703 -12.397
  499   2HB   ASN  64           HB1      ASN  64  -3.222 -15.287 -13.116
  500   1HD2  ASN  64           HD22     ASN  64  -4.159 -19.000 -13.541
  501   2HD2  ASN  64           HD21     ASN  64  -5.134 -17.618 -13.680
  502    H    ILE  65           HN       ILE  65  -1.542 -14.718  -9.157
  503    HA   ILE  65           HA       ILE  65   0.355 -13.286 -10.718
  504    HB   ILE  65           HB       ILE  65   1.631 -14.670  -8.465
  505   1HG1  ILE  65           HG12     ILE  65  -0.957 -13.171  -8.036
  506   2HG1  ILE  65           HG11     ILE  65  -0.568 -14.804  -7.500
  507   1HG2  ILE  65           HG22     ILE  65   1.911 -12.276  -9.775
  508   2HG2  ILE  65           HG21     ILE  65   1.040 -11.776  -8.327
  509   3HG2  ILE  65           HG23     ILE  65   2.580 -12.611  -8.182
  510   1HD1  ILE  65           HD12     ILE  65   1.462 -13.134  -6.460
  511   2HD1  ILE  65           HD11     ILE  65  -0.062 -12.296  -6.163
  512   3HD1  ILE  65           HD13     ILE  65   0.175 -13.937  -5.561
  513    H    SER  66           HN       SER  66   1.328 -14.181 -12.470
  514    HA   SER  66           HA       SER  66   3.291 -16.247 -12.170
  515   1HB   SER  66           HB2      SER  66   1.812 -18.000 -12.166
  516   2HB   SER  66           HB1      SER  66   0.541 -17.062 -12.945
  517    HG   SER  66           HG       SER  66   1.294 -17.615 -14.853
  518    H    HIS  67           HN       HIS  67   0.934 -15.273 -14.694
  519    HA   HIS  67           HA       HIS  67   2.565 -15.385 -16.927
  520   1HB   HIS  67           HB2      HIS  67   0.251 -13.731 -16.130
  521   2HB   HIS  67           HB1      HIS  67   1.243 -13.038 -17.413
  522    HD1  HIS  67           HD1      HIS  67  -0.266 -13.549 -19.399
  523    HD2  HIS  67           HD2      HIS  67   0.548 -16.927 -17.094
  524    HE1  HIS  67           HE1      HIS  67  -1.146 -15.535 -20.702
  525    H    LYS  68           HN       LYS  68   1.985 -12.061 -15.987
  526    HA   LYS  68           HA       LYS  68   4.934 -11.668 -15.699
  527   1HB   LYS  68           HB2      LYS  68   3.413 -10.831 -17.883
  528   2HB   LYS  68           HB1      LYS  68   3.551  -9.385 -16.881
  529   1HG   LYS  68           HG2      LYS  68   5.548  -9.170 -17.983
  530   2HG   LYS  68           HG1      LYS  68   6.096 -10.283 -16.728
  531   1HD   LYS  68           HD2      LYS  68   5.868 -12.175 -18.167
  532   2HD   LYS  68           HD1      LYS  68   4.964 -11.244 -19.362
  533   1HE   LYS  68           HE2      LYS  68   7.709 -10.305 -18.637
  534   2HE   LYS  68           HE1      LYS  68   7.564 -11.723 -19.676
  535   1HZ   LYS  68           HZ2      LYS  68   6.111 -10.427 -21.137
  536   2HZ   LYS  68           HZ1      LYS  68   6.345  -9.059 -20.159
  537   3HZ   LYS  68           HZ3      LYS  68   7.654  -9.731 -21.001
  538    H    ASP  69           HN       ASP  69   4.651  -8.813 -15.340
  539    HA   ASP  69           HA       ASP  69   2.864  -8.559 -12.987
  540   1HB   ASP  69           HB2      ASP  69   5.797  -7.828 -12.815
  541   2HB   ASP  69           HB1      ASP  69   4.615  -7.858 -11.506
  542    H    MET  70           HN       MET  70   2.085  -6.474 -12.767
  543    HA   MET  70           HA       MET  70   2.896  -4.551 -14.872
  544   1HB   MET  70           HB2      MET  70   0.432  -5.249 -13.945
  545   2HB   MET  70           HB1      MET  70   0.752  -3.820 -12.962
  546   1HG   MET  70           HG2      MET  70   0.483  -2.436 -14.725
  547   2HG   MET  70           HG1      MET  70   1.528  -3.423 -15.747
  548   1HE   MET  70           HE3      MET  70  -0.938  -1.692 -15.994
  549   2HE   MET  70           HE2      MET  70  -2.073  -2.447 -17.111
  550   3HE   MET  70           HE1      MET  70  -2.422  -2.435 -15.384
  551    H    CYS  71           HN       CYS  71   1.862  -2.319 -13.095
  552    HA   CYS  71           HA       CYS  71   4.343  -1.335 -12.160
  553   1HB   CYS  71           HB2      CYS  71   1.484  -0.621 -11.772
  554   2HB   CYS  71           HB1      CYS  71   2.610   0.017 -10.569
  555   1H    CYS  72           HN3      CYS  72   4.049   4.329 -11.997
  556   2H    CYS  72           HN2      CYS  72   2.569   3.524 -12.213
  557   3H    CYS  72           HN1      CYS  72   2.595   5.110 -11.605
  558    HA   CYS  72           HA       CYS  72   2.189   3.579  -9.803
  559   1HB   CYS  72           HB2      CYS  72   4.633   2.313  -9.461
  560   2HB   CYS  72           HB1      CYS  72   3.119   1.549  -9.910
  561    H    LEU  73           HN       LEU  73   5.477   4.610 -10.726
  562    HA   LEU  73           HA       LEU  73   6.270   5.328  -8.097
  563   1HB   LEU  73           HB2      LEU  73   7.217   6.342 -10.791
  564   2HB   LEU  73           HB1      LEU  73   7.998   6.762  -9.271
  565    HG   LEU  73           HG       LEU  73   9.243   4.917 -10.066
  566   1HD1  LEU  73           HD12     LEU  73   8.453   4.699  -7.694
  567   2HD1  LEU  73           HD11     LEU  73   7.138   3.679  -8.273
  568   3HD1  LEU  73           HD13     LEU  73   8.811   3.153  -8.463
  569   1HD2  LEU  73           HD21     LEU  73   7.162   4.368 -11.668
  570   2HD2  LEU  73           HD23     LEU  73   8.415   3.176 -11.325
  571   3HD2  LEU  73           HD22     LEU  73   6.887   3.128 -10.445
  572    H    GLY  74           HN       GLY  74   7.112   7.979  -8.173
  573   1HA   GLY  74           HA2      GLY  74   4.765   9.651  -8.818
  574   2HA   GLY  74           HA1      GLY  74   5.190   9.533  -7.111
  575   1HN   DAR  75           HN       ARG  75   7.841   9.305  -9.278
  576    HA   DAR  75           HA       ARG  75   9.719  10.720  -9.453
  577   1HB   DAR  75           HB1      ARG  75   8.728  11.382  -7.009
  578   2HB   DAR  75           HB2      ARG  75   8.520  12.913  -7.859
  579   1HG   DAR  75           HG1      ARG  75  10.803  13.188  -8.194
  580   2HG   DAR  75           HG2      ARG  75  11.124  11.454  -8.140
  581   1HD   DAR  75           HD1      ARG  75  11.717  11.684  -5.979
  582   2HD   DAR  75           HD2      ARG  75  10.051  12.130  -5.620
  583    HNE  DAR  75           HE       ARG  75  10.870  14.254  -5.160
  584   1HH1  DAR  75           HH11     ARG  75  11.903  16.171  -5.699
  585   2HH1  DAR  75           HH12     ARG  75  13.061  16.189  -6.987
  586   1HH2  DAR  75           HH21     ARG  75  12.755  12.814  -7.688
  587   2HH2  DAR  75           HH22     ARG  75  13.531  14.299  -8.112
   
  No H/Q in entry =         587
  Start of MODEL    9
    1   1H    MET   1           HN2      MET   1   4.964 -12.911   8.023
    2   2H    MET   1           HN1      MET   1   3.783 -13.188   9.213
    3   3H    MET   1           HN3      MET   1   5.393 -13.647   9.493
    4    HA   MET   1           HA       MET   1   5.301 -15.404   7.976
    5   1HB   MET   1           HB2      MET   1   4.048 -15.747  10.130
    6   2HB   MET   1           HB1      MET   1   2.567 -15.295   9.284
    7   1HG   MET   1           HG2      MET   1   2.631 -17.196   7.899
    8   2HG   MET   1           HG1      MET   1   4.345 -17.475   8.206
    9   1HE   MET   1           HE2      MET   1   5.214 -18.928   9.433
   10   2HE   MET   1           HE1      MET   1   4.555 -19.936  10.718
   11   3HE   MET   1           HE3      MET   1   4.045 -20.186   9.042
   12    H    LEU   2           HN       LEU   2   5.177 -14.060   5.912
   13    HA   LEU   2           HA       LEU   2   2.891 -14.955   4.351
   14   1HB   LEU   2           HB2      LEU   2   2.247 -12.610   3.641
   15   2HB   LEU   2           HB1      LEU   2   1.811 -13.017   5.302
   16    HG   LEU   2           HG       LEU   2   4.384 -12.032   5.566
   17   1HD1  LEU   2           HD11     LEU   2   3.899 -11.302   3.063
   18   2HD1  LEU   2           HD13     LEU   2   2.991 -10.010   3.850
   19   3HD1  LEU   2           HD12     LEU   2   4.713 -10.202   4.177
   20   1HD2  LEU   2           HD22     LEU   2   2.390 -11.575   6.991
   21   2HD2  LEU   2           HD21     LEU   2   3.278 -10.103   6.598
   22   3HD2  LEU   2           HD23     LEU   2   1.780 -10.482   5.747
   23    H    GLN   3           HN       GLN   3   3.183 -14.364   2.030
   24    HA   GLN   3           HA       GLN   3   5.998 -14.470   1.300
   25   1HB   GLN   3           HB2      GLN   3   3.384 -14.575  -0.137
   26   2HB   GLN   3           HB1      GLN   3   4.806 -14.110  -1.070
   27   1HG   GLN   3           HG2      GLN   3   5.946 -16.174  -0.032
   28   2HG   GLN   3           HG1      GLN   3   4.324 -16.678   0.442
   29   1HE2  GLN   3           HE22     GLN   3   3.875 -18.127  -2.733
   30   2HE2  GLN   3           HE21     GLN   3   3.750 -18.288  -1.048
   31    H    LYS   4           HN       LYS   4   7.117 -12.864   0.025
   32    HA   LYS   4           HA       LYS   4   5.966 -10.119   0.336
   33   1HB   LYS   4           HB2      LYS   4   8.873 -10.987   0.284
   34   2HB   LYS   4           HB1      LYS   4   8.311  -9.321   0.415
   35   1HG   LYS   4           HG2      LYS   4   7.445  -9.641   2.568
   36   2HG   LYS   4           HG1      LYS   4   7.343 -11.392   2.370
   37   1HD   LYS   4           HD2      LYS   4  10.008 -11.053   2.050
   38   2HD   LYS   4           HD1      LYS   4   9.664  -9.708   3.139
   39   1HE   LYS   4           HE2      LYS   4   8.203 -11.895   4.153
   40   2HE   LYS   4           HE1      LYS   4   9.791 -12.537   3.733
   41   1HZ   LYS   4           HZ1      LYS   4   9.576  -9.988   5.187
   42   2HZ   LYS   4           HZ3      LYS   4   9.429 -11.451   6.031
   43   3HZ   LYS   4           HZ2      LYS   4  10.851 -11.110   5.169
   44    H    LYS   5           HN       LYS   5   5.425  -9.207  -1.578
   45    HA   LYS   5           HA       LYS   5   7.119  -9.795  -3.958
   46   1HB   LYS   5           HB2      LYS   5   4.090  -9.923  -3.837
   47   2HB   LYS   5           HB1      LYS   5   5.021  -9.923  -5.336
   48   1HG   LYS   5           HG2      LYS   5   6.232 -11.954  -4.542
   49   2HG   LYS   5           HG1      LYS   5   5.195 -11.979  -3.115
   50   1HD   LYS   5           HD2      LYS   5   4.141 -12.061  -5.954
   51   2HD   LYS   5           HD1      LYS   5   4.417 -13.499  -4.970
   52   1HE   LYS   5           HE2      LYS   5   2.857 -11.376  -3.635
   53   2HE   LYS   5           HE1      LYS   5   2.061 -12.112  -5.026
   54   1HZ   LYS   5           HZ2      LYS   5   2.999 -14.276  -3.831
   55   2HZ   LYS   5           HZ1      LYS   5   2.789 -13.287  -2.467
   56   3HZ   LYS   5           HZ3      LYS   5   1.470 -13.622  -3.479
   57    H    ILE   6           HN       ILE   6   4.053  -8.039  -3.838
   58    HA   ILE   6           HA       ILE   6   5.224  -5.711  -5.067
   59    HB   ILE   6           HB       ILE   6   2.544  -6.410  -3.912
   60   1HG1  ILE   6           HG12     ILE   6   3.383  -6.887  -6.301
   61   2HG1  ILE   6           HG11     ILE   6   1.817  -6.096  -6.148
   62   1HG2  ILE   6           HG21     ILE   6   3.523  -3.620  -4.552
   63   2HG2  ILE   6           HG23     ILE   6   1.813  -4.052  -4.587
   64   3HG2  ILE   6           HG22     ILE   6   2.725  -4.178  -3.082
   65   1HD1  ILE   6           HD12     ILE   6   4.318  -4.444  -6.398
   66   2HD1  ILE   6           HD11     ILE   6   3.557  -5.119  -7.837
   67   3HD1  ILE   6           HD13     ILE   6   2.659  -4.007  -6.804
   68    H    GLU   7           HN       GLU   7   5.356  -6.844  -1.905
   69    HA   GLU   7           HA       GLU   7   5.040  -4.621  -0.245
   70   1HB   GLU   7           HB2      GLU   7   5.678  -6.858   0.585
   71   2HB   GLU   7           HB1      GLU   7   7.279  -6.668  -0.132
   72   1HG   GLU   7           HG2      GLU   7   7.882  -5.795   1.869
   73   2HG   GLU   7           HG1      GLU   7   7.010  -4.353   1.349
   74    H    GLU   8           HN       GLU   8   8.279  -5.570  -1.457
   75    HA   GLU   8           HA       GLU   8   9.317  -2.906  -1.055
   76   1HB   GLU   8           HB2      GLU   8  11.309  -3.719  -2.238
   77   2HB   GLU   8           HB1      GLU   8  10.756  -4.954  -1.106
   78   1HG   GLU   8           HG2      GLU   8   9.540  -6.076  -2.966
   79   2HG   GLU   8           HG1      GLU   8  10.191  -4.877  -4.084
   80    H    ILE   9           HN       ILE   9   7.786  -4.551  -3.783
   81    HA   ILE   9           HA       ILE   9   8.503  -2.803  -5.880
   82    HB   ILE   9           HB       ILE   9   5.746  -3.954  -5.306
   83   1HG1  ILE   9           HG12     ILE   9   8.120  -5.003  -6.882
   84   2HG1  ILE   9           HG11     ILE   9   7.414  -5.720  -5.435
   85   1HG2  ILE   9           HG22     ILE   9   7.010  -2.749  -7.781
   86   2HG2  ILE   9           HG21     ILE   9   5.559  -3.748  -7.839
   87   3HG2  ILE   9           HG23     ILE   9   5.543  -2.221  -6.957
   88   1HD1  ILE   9           HD11     ILE   9   5.505  -5.277  -7.643
   89   2HD1  ILE   9           HD13     ILE   9   6.764  -6.461  -7.985
   90   3HD1  ILE   9           HD12     ILE   9   5.705  -6.679  -6.593
   91    H    ALA  10           HN       ALA  10   6.547  -2.394  -3.062
   92    HA   ALA  10           HA       ALA  10   5.595   0.290  -3.857
   93   1HB   ALA  10           HB1      ALA  10   4.214  -1.399  -2.478
   94   2HB   ALA  10           HB3      ALA  10   5.316  -1.041  -1.148
   95   3HB   ALA  10           HB2      ALA  10   4.315   0.240  -1.834
   96    H    ALA  11           HN       ALA  11   7.899  -1.350  -1.762
   97    HA   ALA  11           HA       ALA  11   8.800   0.785  -0.185
   98   1HB   ALA  11           HB2      ALA  11  10.446  -1.443  -1.390
   99   2HB   ALA  11           HB1      ALA  11  10.959  -0.408  -0.058
  100   3HB   ALA  11           HB3      ALA  11   9.593  -1.503   0.152
  101    H    LYS  12           HN       LYS  12   9.183   0.227  -3.580
  102    HA   LYS  12           HA       LYS  12  11.401   2.169  -3.806
  103   1HB   LYS  12           HB2      LYS  12  10.014   0.309  -5.723
  104   2HB   LYS  12           HB1      LYS  12  11.046   1.608  -6.321
  105   1HG   LYS  12           HG2      LYS  12  12.880   0.395  -5.858
  106   2HG   LYS  12           HG1      LYS  12  12.397   0.282  -4.166
  107   1HD   LYS  12           HD2      LYS  12  12.634  -1.961  -5.182
  108   2HD   LYS  12           HD1      LYS  12  10.968  -1.652  -4.689
  109   1HE   LYS  12           HE2      LYS  12  10.348  -2.149  -6.799
  110   2HE   LYS  12           HE1      LYS  12  11.135  -0.655  -7.304
  111   1HZ   LYS  12           HZ3      LYS  12  13.018  -2.751  -6.876
  112   2HZ   LYS  12           HZ2      LYS  12  11.850  -3.197  -8.026
  113   3HZ   LYS  12           HZ1      LYS  12  12.774  -1.789  -8.251
  114    H    TYR  13           HN       TYR  13   7.929   2.076  -4.214
  115    HA   TYR  13           HA       TYR  13   7.634   4.234  -6.044
  116   1HB   TYR  13           HB2      TYR  13   5.873   3.212  -3.791
  117   2HB   TYR  13           HB1      TYR  13   5.400   4.602  -4.752
  118    HD1  TYR  13           HD1      TYR  13   7.280   1.628  -5.873
  119    HD2  TYR  13           HD2      TYR  13   3.518   3.733  -6.081
  120    HE1  TYR  13           HE1      TYR  13   6.530   0.104  -7.656
  121    HE2  TYR  13           HE2      TYR  13   2.807   2.214  -7.873
  122    HH   TYR  13           HH       TYR  13   3.239   0.182  -8.851
  123    H    LYS  14           HN       LYS  14   9.100   5.837  -5.675
  124    HA   LYS  14           HA       LYS  14  10.472   7.172  -4.100
  125   1HB   LYS  14           HB2      LYS  14   8.383   8.260  -5.701
  126   2HB   LYS  14           HB1      LYS  14   8.486   9.209  -4.219
  127   1HG   LYS  14           HG2      LYS  14  10.065  10.242  -5.625
  128   2HG   LYS  14           HG1      LYS  14  11.053   9.164  -4.637
  129   1HD   LYS  14           HD2      LYS  14  10.299   7.514  -6.708
  130   2HD   LYS  14           HD1      LYS  14  10.488   9.067  -7.523
  131   1HE   LYS  14           HE2      LYS  14  12.620   8.410  -5.583
  132   2HE   LYS  14           HE1      LYS  14  12.556   7.365  -7.002
  133   1HZ   LYS  14           HZ2      LYS  14  12.179  10.022  -7.815
  134   2HZ   LYS  14           HZ1      LYS  14  13.559   9.961  -6.826
  135   3HZ   LYS  14           HZ3      LYS  14  13.458   8.971  -8.200
  136    H    HIS  15           HN       HIS  15  10.761   7.007  -1.965
  137    HA   HIS  15           HA       HIS  15   8.817   6.540   0.007
  138   1HB   HIS  15           HB2      HIS  15  10.506   7.371   1.625
  139   2HB   HIS  15           HB1      HIS  15  11.218   6.283   0.434
  140    HD1  HIS  15           HD1      HIS  15  12.793   8.580   1.976
  141    HD2  HIS  15           HD2      HIS  15  11.329   8.828  -1.918
  142    HE1  HIS  15           HE1      HIS  15  14.173  10.346   0.803
  143    H    SER  16           HN       SER  16   9.617   9.517  -1.608
  144    HA   SER  16           HA       SER  16   8.899  11.517   0.159
  145   1HB   SER  16           HB2      SER  16   8.777  11.167  -2.729
  146   2HB   SER  16           HB1      SER  16   7.477  12.203  -2.147
  147    HG   SER  16           HG       SER  16   8.970  13.551  -1.241
  148    H    VAL  17           HN       VAL  17   6.479  10.084  -2.025
  149    HA   VAL  17           HA       VAL  17   4.565   9.889   0.225
  150    HB   VAL  17           HB       VAL  17   2.859  10.999  -1.470
  151   1HG1  VAL  17           HG11     VAL  17   4.554  11.998   0.671
  152   2HG1  VAL  17           HG13     VAL  17   4.142  13.282  -0.465
  153   3HG1  VAL  17           HG12     VAL  17   2.862  12.362   0.327
  154   1HG2  VAL  17           HG21     VAL  17   5.566  12.069  -2.315
  155   2HG2  VAL  17           HG23     VAL  17   4.344  11.312  -3.336
  156   3HG2  VAL  17           HG22     VAL  17   4.053  12.910  -2.651
  157    H    VAL  18           HN       VAL  18   5.025   9.545  -3.290
  158    HA   VAL  18           HA       VAL  18   3.037   7.723  -3.946
  159    HB   VAL  18           HB       VAL  18   4.660   8.584  -5.578
  160   1HG1  VAL  18           HG11     VAL  18   6.500   7.052  -3.796
  161   2HG1  VAL  18           HG13     VAL  18   6.910   7.183  -5.502
  162   3HG1  VAL  18           HG12     VAL  18   6.726   8.640  -4.523
  163   1HG2  VAL  18           HG22     VAL  18   3.877   5.809  -5.310
  164   2HG2  VAL  18           HG21     VAL  18   4.027   6.776  -6.778
  165   3HG2  VAL  18           HG23     VAL  18   5.430   5.926  -6.135
  166    H    LYS  19           HN       LYS  19   5.799   7.187  -1.874
  167    HA   LYS  19           HA       LYS  19   5.850   4.320  -2.060
  168   1HB   LYS  19           HB2      LYS  19   7.771   5.116  -1.037
  169   2HB   LYS  19           HB1      LYS  19   6.908   6.377  -0.166
  170   1HG   LYS  19           HG2      LYS  19   6.546   5.027   1.634
  171   2HG   LYS  19           HG1      LYS  19   6.144   3.638   0.625
  172   1HD   LYS  19           HD2      LYS  19   8.200   2.781   0.894
  173   2HD   LYS  19           HD1      LYS  19   8.940   4.277   0.323
  174   1HE   LYS  19           HE2      LYS  19   8.898   5.234   2.527
  175   2HE   LYS  19           HE1      LYS  19   7.887   3.924   3.138
  176   1HZ   LYS  19           HZ1      LYS  19   9.702   2.379   2.667
  177   2HZ   LYS  19           HZ3      LYS  19  10.675   3.667   2.147
  178   3HZ   LYS  19           HZ2      LYS  19  10.177   3.583   3.769
  179    H    LYS  20           HN       LYS  20   4.885   6.040   0.910
  180    HA   LYS  20           HA       LYS  20   3.298   4.032   1.988
  181   1HB   LYS  20           HB2      LYS  20   3.742   6.771   2.525
  182   2HB   LYS  20           HB1      LYS  20   1.992   6.568   2.444
  183   1HG   LYS  20           HG2      LYS  20   2.000   4.897   4.139
  184   2HG   LYS  20           HG1      LYS  20   3.748   4.691   4.031
  185   1HD   LYS  20           HD2      LYS  20   2.704   7.408   4.708
  186   2HD   LYS  20           HD1      LYS  20   2.649   6.168   5.960
  187   1HE   LYS  20           HE2      LYS  20   4.829   6.553   6.364
  188   2HE   LYS  20           HE1      LYS  20   5.191   5.937   4.751
  189   1HZ   LYS  20           HZ1      LYS  20   4.220   8.680   4.940
  190   2HZ   LYS  20           HZ3      LYS  20   5.796   8.387   5.495
  191   3HZ   LYS  20           HZ2      LYS  20   5.375   8.005   3.894
  192    H    CYS  21           HN       CYS  21   2.569   6.032  -0.748
  193    HA   CYS  21           HA       CYS  21  -0.318   5.688  -0.763
  194   1HB   CYS  21           HB2      CYS  21   1.573   6.074  -3.080
  195   2HB   CYS  21           HB1      CYS  21  -0.169   6.294  -3.042
  196    H    CYS  22           HN       CYS  22   2.131   4.280  -2.955
  197    HA   CYS  22           HA       CYS  22   0.525   2.314  -4.057
  198   1HB   CYS  22           HB2      CYS  22   2.456   2.453  -5.147
  199   2HB   CYS  22           HB1      CYS  22   3.429   2.686  -3.705
  200    H    TYR  23           HN       TYR  23   2.335   2.307  -1.018
  201    HA   TYR  23           HA       TYR  23   1.848  -0.410  -0.284
  202   1HB   TYR  23           HB2      TYR  23   2.408   2.120   1.241
  203   2HB   TYR  23           HB1      TYR  23   1.872   0.689   2.122
  204    HD1  TYR  23           HD2      TYR  23   4.491   2.068  -0.072
  205    HD2  TYR  23           HD1      TYR  23   3.306  -1.251   2.367
  206    HE1  TYR  23           HE2      TYR  23   6.798   1.171  -0.184
  207    HE2  TYR  23           HE1      TYR  23   5.612  -2.161   2.249
  208    HH   TYR  23           HH       TYR  23   7.750  -1.680   1.684
  209    H    ASP  24           HN       ASP  24   0.080   2.609   0.172
  210    HA   ASP  24           HA       ASP  24  -2.154   1.662   1.623
  211   1HB   ASP  24           HB2      ASP  24  -1.740   3.959  -0.329
  212   2HB   ASP  24           HB1      ASP  24  -3.356   3.586   0.298
  213    H    GLY  25           HN       GLY  25  -1.386   1.534  -1.795
  214   1HA   GLY  25           HA2      GLY  25  -3.946   0.724  -2.775
  215   2HA   GLY  25           HA1      GLY  25  -2.397   0.460  -3.579
  216    H    ALA  26           HN       ALA  26  -0.988  -1.261  -2.272
  217    HA   ALA  26           HA       ALA  26  -2.621  -3.708  -2.322
  218   1HB   ALA  26           HB2      ALA  26  -0.273  -3.474  -3.300
  219   2HB   ALA  26           HB1      ALA  26   0.315  -3.508  -1.637
  220   3HB   ALA  26           HB3      ALA  26  -0.554  -4.895  -2.294
  221    H    SER  27           HN       SER  27  -2.210  -1.500   0.061
  222    HA   SER  27           HA       SER  27  -1.849  -3.493   2.218
  223   1HB   SER  27           HB2      SER  27  -1.790  -0.515   2.161
  224   2HB   SER  27           HB1      SER  27  -1.839  -1.407   3.661
  225    HG   SER  27           HG       SER  27   0.303  -0.988   3.062
  226    H    VAL  28           HN       VAL  28  -3.978  -0.736   1.487
  227    HA   VAL  28           HA       VAL  28  -5.943  -1.215   3.415
  228    HB   VAL  28           HB       VAL  28  -7.456   0.001   1.921
  229   1HG1  VAL  28           HG12     VAL  28  -4.707   0.821   2.508
  230   2HG1  VAL  28           HG11     VAL  28  -5.423   1.716   1.169
  231   3HG1  VAL  28           HG13     VAL  28  -6.214   1.705   2.745
  232   1HG2  VAL  28           HG21     VAL  28  -5.600  -1.095  -0.087
  233   2HG2  VAL  28           HG23     VAL  28  -7.286  -0.614  -0.268
  234   3HG2  VAL  28           HG22     VAL  28  -6.009   0.601  -0.340
  235    H    ASN  29           HN       ASN  29  -8.172  -2.141   3.035
  236    HA   ASN  29           HA       ASN  29  -8.226  -4.855   2.589
  237   1HB   ASN  29           HB2      ASN  29 -10.166  -2.871   2.945
  238   2HB   ASN  29           HB1      ASN  29 -10.620  -3.656   1.436
  239   1HD2  ASN  29           HD22     ASN  29 -11.271  -5.570   4.911
  240   2HD2  ASN  29           HD21     ASN  29 -10.795  -3.942   4.835
  241    H    ASN  30           HN       ASN  30  -9.239  -6.079   0.708
  242    HA   ASN  30           HA       ASN  30  -7.730  -6.035  -1.592
  243   1HB   ASN  30           HB2      ASN  30 -10.483  -6.949  -0.964
  244   2HB   ASN  30           HB1      ASN  30 -10.107  -6.763  -2.678
  245   1HD2  ASN  30           HD22     ASN  30  -8.991 -10.154  -1.199
  246   2HD2  ASN  30           HD21     ASN  30 -10.410  -9.271  -0.901
  247    H    ASP  31           HN       ASP  31 -10.326  -3.830  -0.762
  248    HA   ASP  31           HA       ASP  31  -9.550  -2.143  -3.048
  249   1HB   ASP  31           HB2      ASP  31 -11.676  -3.866  -3.396
  250   2HB   ASP  31           HB1      ASP  31 -12.472  -2.382  -2.867
  251    H    GLU  32           HN       GLU  32  -9.842  -2.203   0.082
  252    HA   GLU  32           HA       GLU  32 -11.753  -0.346   0.933
  253   1HB   GLU  32           HB2      GLU  32 -10.515  -1.153   2.708
  254   2HB   GLU  32           HB1      GLU  32  -8.988  -1.023   1.843
  255   1HG   GLU  32           HG2      GLU  32  -8.774   1.262   2.320
  256   2HG   GLU  32           HG1      GLU  32 -10.505   1.465   2.588
  257    H    THR  33           HN       THR  33  -8.382   0.702   0.488
  258    HA   THR  33           HA       THR  33  -9.328   3.348  -0.392
  259    HB   THR  33           HB       THR  33  -6.465   2.405  -0.209
  260    HG1  THR  33           HG1      THR  33  -8.114   3.526   1.808
  261   1HG2  THR  33           HG22     THR  33  -7.713   4.811  -0.995
  262   2HG2  THR  33           HG21     THR  33  -6.997   5.114   0.589
  263   3HG2  THR  33           HG23     THR  33  -5.991   4.527  -0.736
  264    H    CYS  34           HN       CYS  34  -7.667   0.521  -1.712
  265    HA   CYS  34           HA       CYS  34  -6.642   1.280  -4.143
  266   1HB   CYS  34           HB2      CYS  34  -7.257  -1.096  -3.165
  267   2HB   CYS  34           HB1      CYS  34  -8.699  -0.911  -4.162
  268    H    GLU  35           HN       GLU  35 -10.079   1.086  -3.320
  269    HA   GLU  35           HA       GLU  35 -10.858   2.060  -6.006
  270   1HB   GLU  35           HB2      GLU  35 -12.165   0.243  -4.972
  271   2HB   GLU  35           HB1      GLU  35 -12.563   1.302  -3.618
  272   1HG   GLU  35           HG2      GLU  35 -13.749   2.828  -5.089
  273   2HG   GLU  35           HG1      GLU  35 -13.240   1.914  -6.510
  274    H    GLN  36           HN       GLN  36 -11.915   3.024  -2.712
  275    HA   GLN  36           HA       GLN  36 -12.983   5.493  -3.286
  276   1HB   GLN  36           HB2      GLN  36 -12.741   4.445  -0.991
  277   2HB   GLN  36           HB1      GLN  36 -11.094   5.075  -0.958
  278   1HG   GLN  36           HG2      GLN  36 -12.412   6.721   0.147
  279   2HG   GLN  36           HG1      GLN  36 -12.123   7.366  -1.470
  280   1HE2  GLN  36           HE22     GLN  36 -15.576   7.686  -2.026
  281   2HE2  GLN  36           HE21     GLN  36 -14.014   8.311  -2.242
  282    H    ARG  37           HN       ARG  37  -9.639   4.621  -3.483
  283    HA   ARG  37           HA       ARG  37  -8.841   7.432  -3.906
  284   1HB   ARG  37           HB2      ARG  37  -7.532   5.031  -2.899
  285   2HB   ARG  37           HB1      ARG  37  -6.571   5.830  -4.143
  286   1HG   ARG  37           HG2      ARG  37  -6.223   6.591  -1.701
  287   2HG   ARG  37           HG1      ARG  37  -6.455   7.846  -2.913
  288   1HD   ARG  37           HD2      ARG  37  -8.468   8.481  -2.052
  289   2HD   ARG  37           HD1      ARG  37  -8.950   6.820  -1.706
  290    HE   ARG  37           HE       ARG  37  -6.967   7.338   0.160
  291   1HH1  ARG  37           HH21     ARG  37  -9.915   8.833  -0.844
  292   2HH1  ARG  37           HH22     ARG  37 -10.258   9.499   0.717
  293   1HH2  ARG  37           HH12     ARG  37  -7.406   8.202   2.198
  294   2HH2  ARG  37           HH11     ARG  37  -8.840   9.143   2.437
  295    H    ALA  38           HN       ALA  38  -8.616   4.233  -5.546
  296    HA   ALA  38           HA       ALA  38  -7.505   5.437  -7.954
  297   1HB   ALA  38           HB3      ALA  38  -7.220   3.017  -7.275
  298   2HB   ALA  38           HB2      ALA  38  -8.908   2.764  -7.719
  299   3HB   ALA  38           HB1      ALA  38  -7.738   3.253  -8.944
  300    H    ALA  39           HN       ALA  39 -10.702   4.021  -7.229
  301    HA   ALA  39           HA       ALA  39 -11.920   4.850  -9.677
  302   1HB   ALA  39           HB2      ALA  39 -13.062   4.197  -6.952
  303   2HB   ALA  39           HB1      ALA  39 -14.081   4.598  -8.334
  304   3HB   ALA  39           HB3      ALA  39 -13.042   3.174  -8.390
  305    H    ARG  40           HN       ARG  40 -12.490   6.241  -6.425
  306    HA   ARG  40           HA       ARG  40 -13.530   8.702  -7.565
  307   1HB   ARG  40           HB2      ARG  40 -13.809   7.498  -5.145
  308   2HB   ARG  40           HB1      ARG  40 -12.590   8.713  -4.754
  309   1HG   ARG  40           HG2      ARG  40 -14.359  10.116  -4.515
  310   2HG   ARG  40           HG1      ARG  40 -14.355  10.164  -6.278
  311   1HD   ARG  40           HD2      ARG  40 -15.728   7.799  -5.385
  312   2HD   ARG  40           HD1      ARG  40 -16.419   9.208  -4.585
  313    HE   ARG  40           HE       ARG  40 -16.900   8.479  -7.272
  314   1HH1  ARG  40           HH21     ARG  40 -15.902  11.266  -5.468
  315   2HH1  ARG  40           HH22     ARG  40 -16.265  12.368  -6.750
  316   1HH2  ARG  40           HH12     ARG  40 -17.393   9.920  -8.919
  317   2HH2  ARG  40           HH11     ARG  40 -17.116  11.614  -8.690
  318    H    ILE  41           HN       ILE  41 -12.054   9.916  -8.703
  319    HA   ILE  41           HA       ILE  41  -9.641  10.829  -7.210
  320    HB   ILE  41           HB       ILE  41  -9.701   9.751 -10.042
  321   1HG1  ILE  41           HG12     ILE  41  -7.941   9.024  -7.686
  322   2HG1  ILE  41           HG11     ILE  41  -9.427   8.164  -8.086
  323   1HG2  ILE  41           HG21     ILE  41  -8.190  11.920  -9.034
  324   2HG2  ILE  41           HG23     ILE  41  -7.091  10.547  -9.127
  325   3HG2  ILE  41           HG22     ILE  41  -7.963  11.075 -10.564
  326   1HD1  ILE  41           HD12     ILE  41  -8.535   7.658 -10.332
  327   2HD1  ILE  41           HD11     ILE  41  -7.043   8.508  -9.929
  328   3HD1  ILE  41           HD13     ILE  41  -7.474   7.028  -9.073
  329    H    SER  42           HN       SER  42 -11.448  12.598  -7.064
  330    HA   SER  42           HA       SER  42 -12.410  14.144  -9.144
  331   1HB   SER  42           HB2      SER  42 -12.186  14.486  -6.412
  332   2HB   SER  42           HB1      SER  42 -11.205  15.806  -7.042
  333    HG   SER  42           HG       SER  42 -13.785  15.760  -6.853
  334    H    LEU  43           HN       LEU  43  -9.301  14.881  -7.517
  335    HA   LEU  43           HA       LEU  43  -8.375  16.039 -10.116
  336   1HB   LEU  43           HB2      LEU  43  -6.648  17.144  -8.428
  337   2HB   LEU  43           HB1      LEU  43  -8.250  17.845  -8.658
  338    HG   LEU  43           HG       LEU  43  -9.078  16.576  -6.700
  339   1HD1  LEU  43           HD11     LEU  43  -6.387  15.376  -6.955
  340   2HD1  LEU  43           HD13     LEU  43  -6.877  15.762  -5.305
  341   3HD1  LEU  43           HD12     LEU  43  -7.869  14.687  -6.291
  342   1HD2  LEU  43           HD21     LEU  43  -7.975  18.890  -6.542
  343   2HD2  LEU  43           HD23     LEU  43  -8.068  17.965  -5.043
  344   3HD2  LEU  43           HD22     LEU  43  -6.549  18.050  -5.936
  345    H    GLY  44           HN       GLY  44  -7.901  13.575  -7.800
  346   1HA   GLY  44           HA2      GLY  44  -6.405  11.758  -7.861
  347   2HA   GLY  44           HA1      GLY  44  -5.725  12.427  -9.344
  348    HA   PRO  45           HA       PRO  45  -3.740  14.671  -5.304
  349   1HB   PRO  45           HB2      PRO  45  -3.473  12.284  -3.685
  350   2HB   PRO  45           HB1      PRO  45  -4.198  13.836  -3.253
  351   1HG   PRO  45           HG2      PRO  45  -5.528  11.372  -3.824
  352   2HG   PRO  45           HG1      PRO  45  -6.249  12.927  -3.403
  353   1HD   PRO  45           HD2      PRO  45  -6.399  11.615  -5.895
  354   2HD   PRO  45           HD1      PRO  45  -6.914  13.267  -5.534
  355    H    ARG  46           HN       ARG  46  -2.969  11.195  -5.160
  356    HA   ARG  46           HA       ARG  46  -0.911  11.186  -7.113
  357   1HB   ARG  46           HB2      ARG  46  -0.193  12.492  -4.634
  358   2HB   ARG  46           HB1      ARG  46   0.788  11.045  -4.866
  359   1HG   ARG  46           HG2      ARG  46   0.392  13.234  -6.928
  360   2HG   ARG  46           HG1      ARG  46   1.830  13.027  -5.927
  361   1HD   ARG  46           HD2      ARG  46   2.133  10.748  -6.894
  362   2HD   ARG  46           HD1      ARG  46   0.752  11.040  -7.951
  363    HE   ARG  46           HE       ARG  46   2.441  13.186  -8.443
  364   1HH1  ARG  46           HH21     ARG  46   2.699   9.741  -8.433
  365   2HH1  ARG  46           HH22     ARG  46   3.912   9.700  -9.668
  366   1HH2  ARG  46           HH12     ARG  46   4.021  13.144 -10.054
  367   2HH2  ARG  46           HH11     ARG  46   4.659  11.623 -10.585
  368    H    CYS  47           HN       CYS  47  -1.723   9.999  -3.836
  369    HA   CYS  47           HA       CYS  47  -0.462   7.478  -4.162
  370   1HB   CYS  47           HB2      CYS  47  -2.940   7.992  -2.487
  371   2HB   CYS  47           HB1      CYS  47  -1.828   6.660  -2.298
  372    H    ILE  48           HN       ILE  48  -3.477   8.713  -5.388
  373    HA   ILE  48           HA       ILE  48  -4.582   6.116  -5.901
  374    HB   ILE  48           HB       ILE  48  -6.330   7.196  -6.966
  375   1HG1  ILE  48           HG12     ILE  48  -4.774   8.192  -8.765
  376   2HG1  ILE  48           HG11     ILE  48  -6.220   9.100  -8.364
  377   1HG2  ILE  48           HG21     ILE  48  -5.906   8.136  -4.671
  378   2HG2  ILE  48           HG23     ILE  48  -5.148   9.524  -5.448
  379   3HG2  ILE  48           HG22     ILE  48  -6.853   9.180  -5.729
  380   1HD1  ILE  48           HD12     ILE  48  -3.616   9.659  -6.963
  381   2HD1  ILE  48           HD11     ILE  48  -4.010  10.416  -8.505
  382   3HD1  ILE  48           HD13     ILE  48  -5.037  10.693  -7.098
  383    H    LYS  49           HN       LYS  49  -2.775   8.396  -8.030
  384    HA   LYS  49           HA       LYS  49  -2.775   6.617 -10.279
  385   1HB   LYS  49           HB2      LYS  49  -1.346   9.073  -9.476
  386   2HB   LYS  49           HB1      LYS  49  -0.438   8.023 -10.563
  387   1HG   LYS  49           HG2      LYS  49  -2.872   7.952 -11.762
  388   2HG   LYS  49           HG1      LYS  49  -2.914   9.573 -11.069
  389   1HD   LYS  49           HD2      LYS  49  -0.536   9.835 -12.074
  390   2HD   LYS  49           HD1      LYS  49  -0.955   8.430 -13.055
  391   1HE   LYS  49           HE2      LYS  49  -2.695   9.557 -14.155
  392   2HE   LYS  49           HE1      LYS  49  -2.830  10.780 -12.890
  393   1HZ   LYS  49           HZ1      LYS  49  -0.548  11.505 -13.544
  394   2HZ   LYS  49           HZ3      LYS  49  -0.662  10.480 -14.889
  395   3HZ   LYS  49           HZ2      LYS  49  -1.744  11.779 -14.720
  396    H    ALA  50           HN       ALA  50  -0.096   7.343  -8.009
  397    HA   ALA  50           HA       ALA  50   1.659   5.282  -8.801
  398   1HB   ALA  50           HB1      ALA  50   2.218   7.006  -7.087
  399   2HB   ALA  50           HB3      ALA  50   1.137   6.187  -5.958
  400   3HB   ALA  50           HB2      ALA  50   2.583   5.368  -6.544
  401    H    PHE  51           HN       PHE  51  -0.593   5.221  -6.108
  402    HA   PHE  51           HA       PHE  51  -0.216   2.428  -5.763
  403   1HB   PHE  51           HB2      PHE  51  -1.149   2.804  -3.806
  404   2HB   PHE  51           HB1      PHE  51  -1.114   4.491  -4.203
  405    HD1  PHE  51           HD1      PHE  51  -3.433   4.260  -6.320
  406    HD2  PHE  51           HD2      PHE  51  -2.980   2.936  -2.286
  407    HE1  PHE  51           HE1      PHE  51  -5.879   4.270  -6.041
  408    HE2  PHE  51           HE2      PHE  51  -5.431   2.975  -2.000
  409    HZ   PHE  51           HZ       PHE  51  -6.884   3.634  -3.888
  410    H    THR  52           HN       THR  52  -2.015   4.011  -8.115
  411    HA   THR  52           HA       THR  52  -4.274   2.128  -8.160
  412    HB   THR  52           HB       THR  52  -3.401   4.431  -9.883
  413    HG1  THR  52           HG1      THR  52  -5.652   3.564  -8.467
  414   1HG2  THR  52           HG22     THR  52  -5.066   2.091 -10.806
  415   2HG2  THR  52           HG21     THR  52  -5.320   3.706 -11.469
  416   3HG2  THR  52           HG23     THR  52  -3.756   2.912 -11.656
  417    H    GLU  53           HN       GLU  53  -1.244   2.708  -9.911
  418    HA   GLU  53           HA       GLU  53  -1.629   0.287 -11.544
  419   1HB   GLU  53           HB2      GLU  53   1.046   1.599 -11.122
  420   2HB   GLU  53           HB1      GLU  53   0.393   0.855 -12.582
  421   1HG   GLU  53           HG2      GLU  53  -1.382   2.940 -12.004
  422   2HG   GLU  53           HG1      GLU  53   0.217   3.619 -11.697
  423    H    CYS  54           HN       CYS  54  -0.016   1.239  -8.584
  424    HA   CYS  54           HA       CYS  54   1.418  -1.260  -8.220
  425   1HB   CYS  54           HB2      CYS  54   2.355   0.559  -7.102
  426   2HB   CYS  54           HB1      CYS  54   0.793   1.160  -6.533
  427    H    CYS  55           HN       CYS  55  -1.691   0.023  -7.158
  428    HA   CYS  55           HA       CYS  55  -2.262  -2.243  -5.418
  429   1HB   CYS  55           HB2      CYS  55  -3.279   0.043  -5.086
  430   2HB   CYS  55           HB1      CYS  55  -4.246  -0.219  -6.533
  431    H    VAL  56           HN       VAL  56  -3.300  -1.196  -8.653
  432    HA   VAL  56           HA       VAL  56  -5.053  -3.384  -9.159
  433    HB   VAL  56           HB       VAL  56  -4.694  -2.860 -11.559
  434   1HG1  VAL  56           HG12     VAL  56  -5.228  -0.758  -9.513
  435   2HG1  VAL  56           HG11     VAL  56  -5.023  -0.223 -11.180
  436   3HG1  VAL  56           HG13     VAL  56  -6.282  -1.389 -10.777
  437   1HG2  VAL  56           HG23     VAL  56  -2.382  -1.324 -10.394
  438   2HG2  VAL  56           HG22     VAL  56  -2.407  -2.395 -11.795
  439   3HG2  VAL  56           HG21     VAL  56  -3.126  -0.788 -11.901
  440    H    VAL  57           HN       VAL  57  -1.564  -2.952  -9.922
  441    HA   VAL  57           HA       VAL  57  -1.232  -5.559 -11.042
  442    HB   VAL  57           HB       VAL  57   0.540  -3.955 -11.316
  443   1HG1  VAL  57           HG13     VAL  57  -0.075  -3.097  -8.813
  444   2HG1  VAL  57           HG12     VAL  57   1.406  -3.997  -8.485
  445   3HG1  VAL  57           HG11     VAL  57   1.414  -2.673  -9.648
  446   1HG2  VAL  57           HG21     VAL  57   1.397  -6.161  -9.418
  447   2HG2  VAL  57           HG23     VAL  57   1.263  -6.297 -11.170
  448   3HG2  VAL  57           HG22     VAL  57   2.485  -5.242 -10.458
  449    H    ALA  58           HN       ALA  58  -0.565  -4.457  -7.678
  450    HA   ALA  58           HA       ALA  58   0.167  -6.839  -6.492
  451   1HB   ALA  58           HB2      ALA  58  -1.305  -4.444  -5.585
  452   2HB   ALA  58           HB1      ALA  58  -1.551  -5.885  -4.596
  453   3HB   ALA  58           HB3      ALA  58   0.077  -5.260  -4.853
  454    H    SER  59           HN       SER  59  -3.223  -5.763  -6.666
  455    HA   SER  59           HA       SER  59  -4.330  -8.291  -5.905
  456   1HB   SER  59           HB2      SER  59  -6.123  -6.881  -7.656
  457   2HB   SER  59           HB1      SER  59  -6.226  -7.073  -5.909
  458    HG   SER  59           HG       SER  59  -5.866  -4.862  -7.074
  459    H    GLN  60           HN       GLN  60  -4.748  -6.779  -9.067
  460    HA   GLN  60           HA       GLN  60  -5.616  -8.622 -10.726
  461   1HB   GLN  60           HB2      GLN  60  -4.518  -6.439 -11.391
  462   2HB   GLN  60           HB1      GLN  60  -2.983  -7.309 -11.412
  463   1HG   GLN  60           HG2      GLN  60  -3.772  -7.389 -13.656
  464   2HG   GLN  60           HG1      GLN  60  -4.128  -8.980 -12.983
  465   1HE2  GLN  60           HE22     GLN  60  -7.184  -6.515 -14.067
  466   2HE2  GLN  60           HE21     GLN  60  -5.572  -5.989 -14.152
  467    H    LEU  61           HN       LEU  61  -2.125  -8.814  -9.789
  468    HA   LEU  61           HA       LEU  61  -2.077 -11.489 -11.019
  469   1HB   LEU  61           HB2      LEU  61   0.216 -11.073  -9.381
  470   2HB   LEU  61           HB1      LEU  61   0.143 -11.256 -11.123
  471    HG   LEU  61           HG       LEU  61   0.022  -8.745  -9.493
  472   1HD1  LEU  61           HD13     LEU  61   2.131 -10.100 -10.541
  473   2HD1  LEU  61           HD12     LEU  61   1.752  -8.991 -11.860
  474   3HD1  LEU  61           HD11     LEU  61   2.120  -8.359 -10.255
  475   1HD2  LEU  61           HD21     LEU  61  -1.355  -9.261 -11.947
  476   2HD2  LEU  61           HD23     LEU  61  -1.178  -7.712 -11.121
  477   3HD2  LEU  61           HD22     LEU  61   0.017  -8.215 -12.316
  478    H    ARG  62           HN       ARG  62  -1.626 -10.197  -7.710
  479    HA   ARG  62           HA       ARG  62  -1.259 -12.460  -6.256
  480   1HB   ARG  62           HB2      ARG  62  -3.136 -10.157  -5.749
  481   2HB   ARG  62           HB1      ARG  62  -3.060 -11.496  -4.604
  482   1HG   ARG  62           HG2      ARG  62  -0.391 -10.673  -5.359
  483   2HG   ARG  62           HG1      ARG  62  -1.308  -9.295  -4.750
  484   1HD   ARG  62           HD2      ARG  62  -1.891 -10.542  -2.725
  485   2HD   ARG  62           HD1      ARG  62  -1.050 -11.967  -3.338
  486    HE   ARG  62           HE       ARG  62   0.891  -9.992  -3.369
  487   1HH1  ARG  62           HH21     ARG  62  -1.324 -11.280  -1.054
  488   2HH1  ARG  62           HH22     ARG  62  -0.287 -10.974   0.299
  489   1HH2  ARG  62           HH12     ARG  62   2.251  -9.590  -1.612
  490   2HH2  ARG  62           HH11     ARG  62   1.733 -10.019  -0.015
  491    H    ALA  63           HN       ALA  63  -4.233 -11.660  -7.972
  492    HA   ALA  63           HA       ALA  63  -5.796 -13.855  -6.928
  493   1HB   ALA  63           HB3      ALA  63  -6.480 -11.757  -8.425
  494   2HB   ALA  63           HB2      ALA  63  -6.139 -12.874  -9.747
  495   3HB   ALA  63           HB1      ALA  63  -7.371 -13.273  -8.552
  496    H    ASN  64           HN       ASN  64  -4.071 -13.412 -10.023
  497    HA   ASN  64           HA       ASN  64  -3.298 -16.292  -9.935
  498   1HB   ASN  64           HB2      ASN  64  -5.300 -15.363 -11.607
  499   2HB   ASN  64           HB1      ASN  64  -3.871 -15.289 -12.638
  500   1HD2  ASN  64           HD21     ASN  64  -5.686 -17.175 -13.414
  501   2HD2  ASN  64           HD22     ASN  64  -5.179 -18.737 -12.984
  502    H    ILE  65           HN       ILE  65  -1.397 -14.716  -9.138
  503    HA   ILE  65           HA       ILE  65   0.018 -13.086 -10.957
  504    HB   ILE  65           HB       ILE  65   1.807 -14.713  -9.262
  505   1HG1  ILE  65           HG12     ILE  65  -0.527 -13.185  -8.096
  506   2HG1  ILE  65           HG11     ILE  65  -0.087 -14.865  -7.786
  507   1HG2  ILE  65           HG21     ILE  65   1.610 -12.081 -10.328
  508   2HG2  ILE  65           HG23     ILE  65   1.591 -11.920  -8.572
  509   3HG2  ILE  65           HG22     ILE  65   2.926 -12.750  -9.368
  510   1HD1  ILE  65           HD13     ILE  65   2.224 -13.500  -7.119
  511   2HD1  ILE  65           HD12     ILE  65   0.956 -12.408  -6.563
  512   3HD1  ILE  65           HD11     ILE  65   1.012 -14.068  -5.971
  513    H    SER  66           HN       SER  66   0.521 -13.684 -12.984
  514    HA   SER  66           HA       SER  66   2.425 -15.816 -13.451
  515   1HB   SER  66           HB2      SER  66  -0.271 -16.604 -13.417
  516   2HB   SER  66           HB1      SER  66   0.135 -16.451 -15.124
  517    HG   SER  66           HG       SER  66   0.704 -18.500 -14.430
  518    H    HIS  67           HN       HIS  67   0.029 -13.573 -14.785
  519    HA   HIS  67           HA       HIS  67   1.101 -13.466 -17.441
  520   1HB   HIS  67           HB2      HIS  67  -1.125 -12.470 -16.356
  521   2HB   HIS  67           HB1      HIS  67  -0.119 -11.028 -16.213
  522    HD1  HIS  67           HD1      HIS  67  -1.192  -9.678 -18.100
  523    HD2  HIS  67           HD2      HIS  67   0.111 -13.439 -19.339
  524    HE1  HIS  67           HE1      HIS  67  -1.358  -9.697 -20.627
  525    H    LYS  68           HN       LYS  68   1.401 -10.472 -17.446
  526    HA   LYS  68           HA       LYS  68   4.269 -10.454 -16.720
  527   1HB   LYS  68           HB2      LYS  68   4.432  -8.478 -18.076
  528   2HB   LYS  68           HB1      LYS  68   3.403  -9.609 -18.956
  529   1HG   LYS  68           HG2      LYS  68   1.399  -8.468 -17.974
  530   2HG   LYS  68           HG1      LYS  68   2.482  -7.273 -17.258
  531   1HD   LYS  68           HD2      LYS  68   3.378  -6.870 -19.615
  532   2HD   LYS  68           HD1      LYS  68   2.007  -7.816 -20.195
  533   1HE   LYS  68           HE2      LYS  68   0.563  -6.220 -18.748
  534   2HE   LYS  68           HE1      LYS  68   1.985  -5.176 -18.739
  535   1HZ   LYS  68           HZ2      LYS  68   1.955  -5.503 -21.252
  536   2HZ   LYS  68           HZ1      LYS  68   0.362  -6.060 -21.042
  537   3HZ   LYS  68           HZ3      LYS  68   0.775  -4.481 -20.579
  538    H    ASP  69           HN       ASP  69   4.620  -7.726 -16.209
  539    HA   ASP  69           HA       ASP  69   3.201  -7.456 -13.591
  540   1HB   ASP  69           HB2      ASP  69   5.956  -7.417 -14.220
  541   2HB   ASP  69           HB1      ASP  69   5.521  -5.750 -13.846
  542    H    MET  70           HN       MET  70   2.122  -5.540 -13.160
  543    HA   MET  70           HA       MET  70   1.752  -3.718 -15.458
  544   1HB   MET  70           HB2      MET  70   0.011  -4.709 -13.569
  545   2HB   MET  70           HB1      MET  70   0.340  -3.089 -12.955
  546   1HG   MET  70           HG2      MET  70  -1.553  -2.959 -14.467
  547   2HG   MET  70           HG1      MET  70  -0.169  -2.186 -15.242
  548   1HE   MET  70           HE2      MET  70  -3.032  -3.845 -15.870
  549   2HE   MET  70           HE1      MET  70  -2.809  -5.251 -16.907
  550   3HE   MET  70           HE3      MET  70  -2.521  -5.377 -15.166
  551    H    CYS  71           HN       CYS  71   2.059  -3.085 -11.944
  552    HA   CYS  71           HA       CYS  71   4.184  -1.104 -12.558
  553   1HB   CYS  71           HB2      CYS  71   1.439  -0.484 -11.799
  554   2HB   CYS  71           HB1      CYS  71   2.598   0.192 -10.650
  555   1H    CYS  72           HN3      CYS  72   3.793   4.656 -12.005
  556   2H    CYS  72           HN2      CYS  72   2.392   3.707 -12.152
  557   3H    CYS  72           HN1      CYS  72   2.300   5.264 -11.480
  558    HA   CYS  72           HA       CYS  72   2.193   3.755  -9.677
  559   1HB   CYS  72           HB2      CYS  72   4.574   2.401  -9.593
  560   2HB   CYS  72           HB1      CYS  72   3.023   1.717 -10.036
  561    H    LEU  73           HN       LEU  73   5.659   3.824 -10.234
  562    HA   LEU  73           HA       LEU  73   6.458   4.976  -7.883
  563   1HB   LEU  73           HB2      LEU  73   8.495   5.663  -8.970
  564   2HB   LEU  73           HB1      LEU  73   7.955   4.185  -9.767
  565    HG   LEU  73           HG       LEU  73   6.652   6.199 -11.175
  566   1HD1  LEU  73           HD11     LEU  73   8.489   7.605  -9.814
  567   2HD1  LEU  73           HD13     LEU  73   9.504   7.069 -11.151
  568   3HD1  LEU  73           HD12     LEU  73   8.047   8.008 -11.473
  569   1HD2  LEU  73           HD23     LEU  73   8.971   4.378 -11.586
  570   2HD2  LEU  73           HD22     LEU  73   7.479   4.524 -12.514
  571   3HD2  LEU  73           HD21     LEU  73   8.783   5.687 -12.752
  572    H    GLY  74           HN       GLY  74   7.232   7.252  -7.431
  573   1HA   GLY  74           HA2      GLY  74   5.516   9.289  -8.788
  574   2HA   GLY  74           HA1      GLY  74   5.628   9.232  -7.028
  575   1HN   DAR  75           HN       ARG  75   6.606  11.152  -9.318
  576    HA   DAR  75           HA       ARG  75   9.446  11.257  -9.224
  577   1HB   DAR  75           HB1      ARG  75   8.466  11.776  -6.730
  578   2HB   DAR  75           HB2      ARG  75   8.510  13.402  -7.411
  579   1HG   DAR  75           HG1      ARG  75  10.841  13.288  -7.815
  580   2HG   DAR  75           HG2      ARG  75  10.868  11.531  -7.653
  581   1HD   DAR  75           HD1      ARG  75  11.237  11.695  -5.438
  582   2HD   DAR  75           HD2      ARG  75   9.817  12.719  -5.249
  583    HNE  DAR  75           HE       ARG  75  11.303  14.472  -4.912
  584   1HH1  DAR  75           HH11     ARG  75  12.967  15.845  -5.522
  585   2HH1  DAR  75           HH12     ARG  75  14.116  15.326  -6.709
  586   1HH2  DAR  75           HH21     ARG  75  12.675  12.212  -7.152
  587   2HH2  DAR  75           HH22     ARG  75  13.943  13.283  -7.633
   
  No H/Q in entry =         587
  Start of MODEL   10
    1   1H    MET   1           HN2      MET   1  15.295 -14.682   3.658
    2   2H    MET   1           HN1      MET   1  16.830 -13.956   3.727
    3   3H    MET   1           HN3      MET   1  15.988 -14.292   5.160
    4    HA   MET   1           HA       MET   1  15.202 -12.233   5.104
    5   1HB   MET   1           HB2      MET   1  16.789 -12.324   2.644
    6   2HB   MET   1           HB1      MET   1  15.436 -11.197   2.539
    7   1HG   MET   1           HG2      MET   1  16.206  -9.900   4.326
    8   2HG   MET   1           HG1      MET   1  17.179 -11.213   4.989
    9   1HE   MET   1           HE1      MET   1  17.304  -8.061   3.894
   10   2HE   MET   1           HE3      MET   1  18.720  -8.484   4.867
   11   3HE   MET   1           HE2      MET   1  18.926  -7.810   3.253
   12    H    LEU   2           HN       LEU   2  13.011 -12.318   5.279
   13    HA   LEU   2           HA       LEU   2  11.345 -13.548   3.232
   14   1HB   LEU   2           HB2      LEU   2  10.978 -13.249   5.857
   15   2HB   LEU   2           HB1      LEU   2  10.182 -11.765   5.332
   16    HG   LEU   2           HG       LEU   2   8.797 -13.115   3.751
   17   1HD1  LEU   2           HD13     LEU   2  10.300 -15.372   5.096
   18   2HD1  LEU   2           HD12     LEU   2   8.769 -15.621   4.255
   19   3HD1  LEU   2           HD11     LEU   2  10.176 -15.032   3.370
   20   1HD2  LEU   2           HD21     LEU   2   8.725 -13.888   6.684
   21   2HD2  LEU   2           HD23     LEU   2   7.858 -12.555   5.920
   22   3HD2  LEU   2           HD22     LEU   2   7.421 -14.221   5.545
   23    H    GLN   3           HN       GLN   3  10.733 -12.521   1.396
   24    HA   GLN   3           HA       GLN   3  10.067  -9.634   1.518
   25   1HB   GLN   3           HB2      GLN   3  12.539 -10.120   0.760
   26   2HB   GLN   3           HB1      GLN   3  11.777 -10.600  -0.757
   27   1HG   GLN   3           HG2      GLN   3  11.204  -8.463  -1.292
   28   2HG   GLN   3           HG1      GLN   3  10.789  -8.055   0.373
   29   1HE2  GLN   3           HE22     GLN   3  13.784  -6.240   0.679
   30   2HE2  GLN   3           HE21     GLN   3  12.111  -6.319   0.958
   31    H    LYS   4           HN       LYS   4   7.978  -9.713   0.820
   32    HA   LYS   4           HA       LYS   4   6.946 -11.761  -0.917
   33   1HB   LYS   4           HB2      LYS   4   5.804  -9.017  -0.301
   34   2HB   LYS   4           HB1      LYS   4   4.917 -10.371  -1.003
   35   1HG   LYS   4           HG2      LYS   4   4.884 -11.564   0.984
   36   2HG   LYS   4           HG1      LYS   4   6.365 -10.812   1.579
   37   1HD   LYS   4           HD2      LYS   4   4.961  -8.618   1.626
   38   2HD   LYS   4           HD1      LYS   4   3.567  -9.697   1.556
   39   1HE   LYS   4           HE2      LYS   4   5.678 -10.381   3.537
   40   2HE   LYS   4           HE1      LYS   4   4.700  -8.954   3.884
   41   1HZ   LYS   4           HZ1      LYS   4   2.888 -10.799   3.047
   42   2HZ   LYS   4           HZ3      LYS   4   3.976 -11.725   3.961
   43   3HZ   LYS   4           HZ2      LYS   4   3.206 -10.384   4.664
   44    H    LYS   5           HN       LYS   5   5.441 -10.273  -2.802
   45    HA   LYS   5           HA       LYS   5   7.614  -9.575  -4.706
   46   1HB   LYS   5           HB2      LYS   5   4.662 -10.109  -5.170
   47   2HB   LYS   5           HB1      LYS   5   5.852  -9.801  -6.435
   48   1HG   LYS   5           HG2      LYS   5   6.663 -11.913  -4.561
   49   2HG   LYS   5           HG1      LYS   5   5.194 -12.298  -5.459
   50   1HD   LYS   5           HD2      LYS   5   7.111 -11.088  -7.236
   51   2HD   LYS   5           HD1      LYS   5   7.865 -12.439  -6.390
   52   1HE   LYS   5           HE2      LYS   5   6.810 -13.297  -8.399
   53   2HE   LYS   5           HE1      LYS   5   5.882 -13.850  -7.005
   54   1HZ   LYS   5           HZ1      LYS   5   5.170 -11.339  -8.371
   55   2HZ   LYS   5           HZ3      LYS   5   4.643 -12.827  -8.991
   56   3HZ   LYS   5           HZ2      LYS   5   4.193 -12.355  -7.423
   57    H    ILE   6           HN       ILE   6   4.323  -8.343  -3.974
   58    HA   ILE   6           HA       ILE   6   4.939  -5.738  -5.086
   59    HB   ILE   6           HB       ILE   6   2.640  -6.838  -3.466
   60   1HG1  ILE   6           HG12     ILE   6   2.887  -7.402  -5.901
   61   2HG1  ILE   6           HG11     ILE   6   1.419  -6.491  -5.546
   62   1HG2  ILE   6           HG23     ILE   6   3.282  -3.995  -4.207
   63   2HG2  ILE   6           HG22     ILE   6   1.601  -4.530  -4.162
   64   3HG2  ILE   6           HG21     ILE   6   2.596  -4.624  -2.709
   65   1HD1  ILE   6           HD11     ILE   6   3.710  -4.757  -6.100
   66   2HD1  ILE   6           HD13     ILE   6   3.312  -5.811  -7.456
   67   3HD1  ILE   6           HD12     ILE   6   2.089  -4.727  -6.792
   68    H    GLU   7           HN       GLU   7   5.929  -7.191  -2.260
   69    HA   GLU   7           HA       GLU   7   5.608  -5.170  -0.286
   70   1HB   GLU   7           HB2      GLU   7   6.423  -7.361   0.343
   71   2HB   GLU   7           HB1      GLU   7   7.835  -7.184  -0.699
   72   1HG   GLU   7           HG2      GLU   7   8.646  -5.319   0.667
   73   2HG   GLU   7           HG1      GLU   7   7.208  -5.417   1.685
   74    H    GLU   8           HN       GLU   8   8.910  -5.763  -1.363
   75    HA   GLU   8           HA       GLU   8   9.579  -2.969  -1.187
   76   1HB   GLU   8           HB2      GLU   8  11.712  -3.676  -2.332
   77   2HB   GLU   8           HB1      GLU   8  11.322  -4.663  -0.924
   78   1HG   GLU   8           HG2      GLU   8  10.512  -6.453  -2.283
   79   2HG   GLU   8           HG1      GLU   8  10.500  -5.442  -3.728
   80    H    ILE   9           HN       ILE   9   8.369  -4.996  -3.792
   81    HA   ILE   9           HA       ILE   9   9.035  -3.338  -6.006
   82    HB   ILE   9           HB       ILE   9   6.618  -5.062  -5.400
   83   1HG1  ILE   9           HG12     ILE   9   8.814  -5.294  -7.481
   84   2HG1  ILE   9           HG11     ILE   9   8.834  -6.116  -5.920
   85   1HG2  ILE   9           HG23     ILE   9   6.861  -2.947  -7.376
   86   2HG2  ILE   9           HG22     ILE   9   6.652  -4.516  -8.154
   87   3HG2  ILE   9           HG21     ILE   9   5.462  -3.945  -6.983
   88   1HD1  ILE   9           HD12     ILE   9   6.296  -6.547  -7.231
   89   2HD1  ILE   9           HD11     ILE   9   7.617  -7.019  -8.300
   90   3HD1  ILE   9           HD13     ILE   9   7.482  -7.738  -6.696
   91    H    ALA  10           HN       ALA  10   6.612  -3.153  -3.484
   92    HA   ALA  10           HA       ALA  10   5.387  -0.693  -4.507
   93   1HB   ALA  10           HB2      ALA  10   5.102  -2.358  -2.005
   94   2HB   ALA  10           HB1      ALA  10   4.399  -0.743  -2.088
   95   3HB   ALA  10           HB3      ALA  10   3.884  -1.988  -3.225
   96    H    ALA  11           HN       ALA  11   7.915  -1.695  -2.333
   97    HA   ALA  11           HA       ALA  11   8.305   0.637  -0.804
   98   1HB   ALA  11           HB3      ALA  11  10.307  -1.370  -1.832
   99   2HB   ALA  11           HB2      ALA  11  10.701  -0.104  -0.667
  100   3HB   ALA  11           HB1      ALA  11   9.528  -1.353  -0.250
  101    H    LYS  12           HN       LYS  12   9.243  -0.128  -4.107
  102    HA   LYS  12           HA       LYS  12  11.076   2.074  -4.456
  103   1HB   LYS  12           HB2      LYS  12   9.553   0.333  -6.400
  104   2HB   LYS  12           HB1      LYS  12  10.666   1.596  -6.926
  105   1HG   LYS  12           HG2      LYS  12  12.309   0.060  -6.721
  106   2HG   LYS  12           HG1      LYS  12  12.101   0.220  -4.977
  107   1HD   LYS  12           HD2      LYS  12  11.409  -1.917  -4.889
  108   2HD   LYS  12           HD1      LYS  12  10.028  -1.487  -5.898
  109   1HE   LYS  12           HE2      LYS  12  11.175  -3.229  -7.068
  110   2HE   LYS  12           HE1      LYS  12  11.586  -1.731  -7.904
  111   1HZ   LYS  12           HZ3      LYS  12  13.401  -2.152  -5.797
  112   2HZ   LYS  12           HZ2      LYS  12  13.322  -3.563  -6.739
  113   3HZ   LYS  12           HZ1      LYS  12  13.712  -2.076  -7.463
  114    H    TYR  13           HN       TYR  13   7.827   2.240  -3.902
  115    HA   TYR  13           HA       TYR  13   7.177   4.309  -5.873
  116   1HB   TYR  13           HB2      TYR  13   5.690   3.171  -3.477
  117   2HB   TYR  13           HB1      TYR  13   5.054   4.498  -4.433
  118    HD1  TYR  13           HD1      TYR  13   6.880   1.387  -5.292
  119    HD2  TYR  13           HD2      TYR  13   3.308   3.717  -5.894
  120    HE1  TYR  13           HE1      TYR  13   6.120  -0.223  -7.006
  121    HE2  TYR  13           HE2      TYR  13   2.583   2.122  -7.608
  122    HH   TYR  13           HH       TYR  13   2.915  -0.021  -8.387
  123    H    LYS  14           HN       LYS  14   8.709   5.903  -5.504
  124    HA   LYS  14           HA       LYS  14  10.104   7.217  -3.929
  125   1HB   LYS  14           HB2      LYS  14   7.920   8.306  -5.412
  126   2HB   LYS  14           HB1      LYS  14   8.086   9.217  -3.910
  127   1HG   LYS  14           HG2      LYS  14   9.529  10.227  -5.582
  128   2HG   LYS  14           HG1      LYS  14  10.543   9.423  -4.382
  129   1HD   LYS  14           HD2      LYS  14  10.342   7.365  -6.009
  130   2HD   LYS  14           HD1      LYS  14   9.936   8.597  -7.205
  131   1HE   LYS  14           HE2      LYS  14  12.041   9.832  -6.432
  132   2HE   LYS  14           HE1      LYS  14  12.476   8.348  -5.583
  133   1HZ   LYS  14           HZ2      LYS  14  12.260   7.159  -7.708
  134   2HZ   LYS  14           HZ1      LYS  14  11.973   8.638  -8.494
  135   3HZ   LYS  14           HZ3      LYS  14  13.470   8.351  -7.751
  136    H    HIS  15           HN       HIS  15  10.476   7.077  -1.807
  137    HA   HIS  15           HA       HIS  15   8.619   6.436   0.203
  138   1HB   HIS  15           HB2      HIS  15  10.309   7.309   1.799
  139   2HB   HIS  15           HB1      HIS  15  11.038   6.294   0.557
  140    HD1  HIS  15           HD1      HIS  15  12.582   8.585   2.103
  141    HD2  HIS  15           HD2      HIS  15  10.915   8.944  -1.702
  142    HE1  HIS  15           HE1      HIS  15  13.824  10.464   0.951
  143    H    SER  16           HN       SER  16   9.163   9.499  -1.351
  144    HA   SER  16           HA       SER  16   8.404  11.397   0.516
  145   1HB   SER  16           HB2      SER  16   8.810  12.180  -1.688
  146   2HB   SER  16           HB1      SER  16   7.616  11.087  -2.383
  147    HG   SER  16           HG       SER  16   6.695  13.105  -2.255
  148    H    VAL  17           HN       VAL  17   5.893  10.199  -1.680
  149    HA   VAL  17           HA       VAL  17   4.141   9.658   0.667
  150    HB   VAL  17           HB       VAL  17   2.277  10.741  -0.832
  151   1HG1  VAL  17           HG12     VAL  17   4.363  12.316   0.701
  152   2HG1  VAL  17           HG11     VAL  17   2.818  12.989   0.183
  153   3HG1  VAL  17           HG13     VAL  17   2.855  11.649   1.329
  154   1HG2  VAL  17           HG22     VAL  17   4.843  11.908  -1.937
  155   2HG2  VAL  17           HG21     VAL  17   3.511  11.174  -2.831
  156   3HG2  VAL  17           HG23     VAL  17   3.296  12.746  -2.062
  157    H    VAL  18           HN       VAL  18   4.429   9.540  -2.872
  158    HA   VAL  18           HA       VAL  18   2.569   7.645  -3.597
  159    HB   VAL  18           HB       VAL  18   4.006   8.567  -5.266
  160   1HG1  VAL  18           HG11     VAL  18   5.955   8.230  -3.291
  161   2HG1  VAL  18           HG13     VAL  18   6.469   7.170  -4.599
  162   3HG1  VAL  18           HG12     VAL  18   6.211   8.887  -4.904
  163   1HG2  VAL  18           HG23     VAL  18   3.621   5.778  -5.015
  164   2HG2  VAL  18           HG22     VAL  18   3.973   6.670  -6.491
  165   3HG2  VAL  18           HG21     VAL  18   5.290   5.986  -5.542
  166    H    LYS  19           HN       LYS  19   5.404   7.093  -1.598
  167    HA   LYS  19           HA       LYS  19   5.516   4.236  -1.913
  168   1HB   LYS  19           HB2      LYS  19   7.433   5.016  -0.878
  169   2HB   LYS  19           HB1      LYS  19   6.570   6.255   0.017
  170   1HG   LYS  19           HG2      LYS  19   6.513   4.915   1.839
  171   2HG   LYS  19           HG1      LYS  19   5.724   3.636   0.922
  172   1HD   LYS  19           HD2      LYS  19   7.655   2.497   0.585
  173   2HD   LYS  19           HD1      LYS  19   8.593   3.969   0.329
  174   1HE   LYS  19           HE2      LYS  19   8.507   4.396   2.792
  175   2HE   LYS  19           HE1      LYS  19   7.692   2.845   2.996
  176   1HZ   LYS  19           HZ2      LYS  19  10.261   3.019   1.558
  177   2HZ   LYS  19           HZ1      LYS  19  10.225   2.938   3.254
  178   3HZ   LYS  19           HZ3      LYS  19   9.559   1.680   2.333
  179    H    LYS  20           HN       LYS  20   4.613   5.705   1.200
  180    HA   LYS  20           HA       LYS  20   3.025   3.645   2.148
  181   1HB   LYS  20           HB2      LYS  20   2.612   6.632   2.481
  182   2HB   LYS  20           HB1      LYS  20   1.745   5.418   3.422
  183   1HG   LYS  20           HG2      LYS  20   3.498   5.586   4.859
  184   2HG   LYS  20           HG1      LYS  20   4.340   4.570   3.690
  185   1HD   LYS  20           HD2      LYS  20   5.618   6.295   2.906
  186   2HD   LYS  20           HD1      LYS  20   4.318   7.474   3.090
  187   1HE   LYS  20           HE2      LYS  20   4.904   6.704   5.706
  188   2HE   LYS  20           HE1      LYS  20   6.483   6.813   4.928
  189   1HZ   LYS  20           HZ2      LYS  20   4.453   8.936   4.607
  190   2HZ   LYS  20           HZ1      LYS  20   5.518   8.923   5.932
  191   3HZ   LYS  20           HZ3      LYS  20   6.131   9.027   4.354
  192    H    CYS  21           HN       CYS  21   2.273   5.895  -0.383
  193    HA   CYS  21           HA       CYS  21  -0.596   5.616  -0.513
  194   1HB   CYS  21           HB2      CYS  21   1.461   6.115  -2.662
  195   2HB   CYS  21           HB1      CYS  21  -0.275   6.275  -2.815
  196    H    CYS  22           HN       CYS  22   1.982   4.068  -2.464
  197    HA   CYS  22           HA       CYS  22   0.244   2.309  -3.818
  198   1HB   CYS  22           HB2      CYS  22   2.171   2.349  -4.906
  199   2HB   CYS  22           HB1      CYS  22   3.150   2.583  -3.465
  200    H    TYR  23           HN       TYR  23   2.066   2.066  -0.807
  201    HA   TYR  23           HA       TYR  23   1.369  -0.654  -0.195
  202   1HB   TYR  23           HB2      TYR  23   2.132   1.719   1.524
  203   2HB   TYR  23           HB1      TYR  23   1.719   0.156   2.229
  204    HD1  TYR  23           HD2      TYR  23   3.978   1.801  -0.219
  205    HD2  TYR  23           HD1      TYR  23   3.309  -1.604   2.295
  206    HE1  TYR  23           HE2      TYR  23   6.274   1.012  -0.693
  207    HE2  TYR  23           HE1      TYR  23   5.608  -2.407   1.819
  208    HH   TYR  23           HH       TYR  23   7.731  -1.564   1.078
  209    H    ASP  24           HN       ASP  24  -0.201   2.437   0.015
  210    HA   ASP  24           HA       ASP  24  -2.400   1.641   1.717
  211   1HB   ASP  24           HB2      ASP  24  -1.792   3.998  -0.076
  212   2HB   ASP  24           HB1      ASP  24  -3.473   3.702   0.397
  213    H    GLY  25           HN       GLY  25  -1.670   1.460  -1.678
  214   1HA   GLY  25           HA2      GLY  25  -4.354   0.864  -2.579
  215   2HA   GLY  25           HA1      GLY  25  -2.863   0.585  -3.479
  216    H    ALA  26           HN       ALA  26  -1.450  -1.214  -2.200
  217    HA   ALA  26           HA       ALA  26  -3.057  -3.638  -2.425
  218   1HB   ALA  26           HB3      ALA  26  -0.331  -2.970  -2.674
  219   2HB   ALA  26           HB2      ALA  26  -0.430  -4.110  -1.334
  220   3HB   ALA  26           HB1      ALA  26  -1.070  -4.552  -2.916
  221    H    SER  27           HN       SER  27  -2.357  -1.568   0.215
  222    HA   SER  27           HA       SER  27  -2.609  -3.785   2.152
  223   1HB   SER  27           HB2      SER  27  -2.059  -0.891   2.640
  224   2HB   SER  27           HB1      SER  27  -1.983  -2.166   3.828
  225    HG   SER  27           HG       SER  27   0.019  -2.323   3.202
  226    H    VAL  28           HN       VAL  28  -4.065  -0.608   1.480
  227    HA   VAL  28           HA       VAL  28  -6.118  -0.581   3.338
  228    HB   VAL  28           HB       VAL  28  -6.165   0.221   0.419
  229   1HG1  VAL  28           HG13     VAL  28  -8.202   0.679   2.610
  230   2HG1  VAL  28           HG12     VAL  28  -8.155   1.601   1.109
  231   3HG1  VAL  28           HG11     VAL  28  -8.460  -0.133   1.066
  232   1HG2  VAL  28           HG22     VAL  28  -4.698   1.307   2.353
  233   2HG2  VAL  28           HG21     VAL  28  -5.514   2.322   1.164
  234   3HG2  VAL  28           HG23     VAL  28  -6.225   2.088   2.761
  235    H    ASN  29           HN       ASN  29  -8.431  -1.267   3.143
  236    HA   ASN  29           HA       ASN  29  -8.830  -3.978   2.847
  237   1HB   ASN  29           HB2      ASN  29 -10.525  -1.763   3.180
  238   2HB   ASN  29           HB1      ASN  29 -11.153  -2.608   1.770
  239   1HD2  ASN  29           HD22     ASN  29 -11.843  -4.150   5.393
  240   2HD2  ASN  29           HD21     ASN  29 -11.288  -2.566   5.138
  241    H    ASN  30           HN       ASN  30 -10.022  -5.195   1.100
  242    HA   ASN  30           HA       ASN  30  -8.641  -5.300  -1.301
  243   1HB   ASN  30           HB2      ASN  30 -10.604  -6.792  -0.341
  244   2HB   ASN  30           HB1      ASN  30 -11.603  -5.769  -1.375
  245   1HD2  ASN  30           HD22     ASN  30  -8.849  -8.271  -3.134
  246   2HD2  ASN  30           HD21     ASN  30  -8.631  -7.805  -1.516
  247    H    ASP  31           HN       ASP  31 -11.086  -2.998  -0.339
  248    HA   ASP  31           HA       ASP  31 -10.492  -1.403  -2.728
  249   1HB   ASP  31           HB2      ASP  31 -12.974  -1.193  -3.264
  250   2HB   ASP  31           HB1      ASP  31 -12.230  -2.736  -3.684
  251    H    GLU  32           HN       GLU  32 -10.623  -1.338   0.421
  252    HA   GLU  32           HA       GLU  32 -12.559   0.571   1.195
  253   1HB   GLU  32           HB2      GLU  32 -11.469  -0.193   3.055
  254   2HB   GLU  32           HB1      GLU  32  -9.908  -0.261   2.250
  255   1HG   GLU  32           HG2      GLU  32  -9.504   2.041   2.586
  256   2HG   GLU  32           HG1      GLU  32 -11.211   2.390   2.859
  257    H    THR  33           HN       THR  33  -9.346   1.001  -0.239
  258    HA   THR  33           HA       THR  33 -10.128   3.803  -0.917
  259    HB   THR  33           HB       THR  33  -7.301   2.961  -0.270
  260    HG1  THR  33           HG1      THR  33  -7.634   3.675   1.768
  261   1HG2  THR  33           HG23     THR  33  -8.588   5.335  -1.288
  262   2HG2  THR  33           HG22     THR  33  -7.775   5.684   0.238
  263   3HG2  THR  33           HG21     THR  33  -6.869   4.993  -1.108
  264    H    CYS  34           HN       CYS  34  -8.161   0.957  -1.722
  265    HA   CYS  34           HA       CYS  34  -6.874   1.466  -4.071
  266   1HB   CYS  34           HB2      CYS  34  -7.406  -0.808  -3.047
  267   2HB   CYS  34           HB1      CYS  34  -8.936  -0.744  -3.921
  268    H    GLU  35           HN       GLU  35 -10.372   1.357  -3.678
  269    HA   GLU  35           HA       GLU  35 -10.805   2.002  -6.533
  270   1HB   GLU  35           HB2      GLU  35 -12.227   0.361  -5.124
  271   2HB   GLU  35           HB1      GLU  35 -12.967   1.811  -4.444
  272   1HG   GLU  35           HG2      GLU  35 -13.544   2.577  -6.726
  273   2HG   GLU  35           HG1      GLU  35 -12.834   1.105  -7.391
  274    H    GLN  36           HN       GLN  36 -12.128   3.393  -3.499
  275    HA   GLN  36           HA       GLN  36 -13.149   5.762  -4.418
  276   1HB   GLN  36           HB2      GLN  36 -11.765   4.989  -1.912
  277   2HB   GLN  36           HB1      GLN  36 -11.892   6.723  -2.212
  278   1HG   GLN  36           HG2      GLN  36 -14.316   6.519  -2.513
  279   2HG   GLN  36           HG1      GLN  36 -14.214   4.773  -2.285
  280   1HE2  GLN  36           HE22     GLN  36 -14.682   5.213   1.174
  281   2HE2  GLN  36           HE21     GLN  36 -15.101   4.373  -0.240
  282    H    ARG  37           HN       ARG  37  -9.760   4.930  -4.277
  283    HA   ARG  37           HA       ARG  37  -9.005   7.661  -5.143
  284   1HB   ARG  37           HB2      ARG  37  -7.590   5.375  -3.867
  285   2HB   ARG  37           HB1      ARG  37  -6.639   6.416  -4.922
  286   1HG   ARG  37           HG2      ARG  37  -7.545   8.390  -3.615
  287   2HG   ARG  37           HG1      ARG  37  -8.239   7.231  -2.482
  288   1HD   ARG  37           HD2      ARG  37  -5.985   6.290  -2.077
  289   2HD   ARG  37           HD1      ARG  37  -5.297   7.485  -3.174
  290    HE   ARG  37           HE       ARG  37  -6.666   9.028  -1.344
  291   1HH1  ARG  37           HH21     ARG  37  -4.345   6.475  -1.177
  292   2HH1  ARG  37           HH22     ARG  37  -3.615   7.061   0.278
  293   1HH2  ARG  37           HH12     ARG  37  -5.719   9.800   0.554
  294   2HH2  ARG  37           HH11     ARG  37  -4.390   8.940   1.258
  295    H    ALA  38           HN       ALA  38  -8.718   4.220  -6.194
  296    HA   ALA  38           HA       ALA  38  -7.388   4.951  -8.669
  297   1HB   ALA  38           HB2      ALA  38  -7.224   2.684  -7.663
  298   2HB   ALA  38           HB1      ALA  38  -8.933   2.427  -8.016
  299   3HB   ALA  38           HB3      ALA  38  -7.781   2.633  -9.336
  300    H    ALA  39           HN       ALA  39 -10.459   5.666  -7.719
  301    HA   ALA  39           HA       ALA  39 -11.364   5.779 -10.547
  302   1HB   ALA  39           HB1      ALA  39 -12.733   4.395  -8.267
  303   2HB   ALA  39           HB3      ALA  39 -13.721   5.200  -9.487
  304   3HB   ALA  39           HB2      ALA  39 -12.614   3.911  -9.959
  305    H    ARG  40           HN       ARG  40 -12.631   6.560  -7.284
  306    HA   ARG  40           HA       ARG  40 -13.680   9.109  -8.278
  307   1HB   ARG  40           HB2      ARG  40 -14.577   7.501  -6.356
  308   2HB   ARG  40           HB1      ARG  40 -13.507   8.486  -5.357
  309   1HG   ARG  40           HG2      ARG  40 -14.626  10.525  -6.110
  310   2HG   ARG  40           HG1      ARG  40 -15.651   9.587  -7.196
  311   1HD   ARG  40           HD2      ARG  40 -17.084   9.705  -5.400
  312   2HD   ARG  40           HD1      ARG  40 -16.175   8.273  -4.915
  313    HE   ARG  40           HE       ARG  40 -14.724  10.380  -3.844
  314   1HH1  ARG  40           HH21     ARG  40 -18.003   9.295  -3.759
  315   2HH1  ARG  40           HH22     ARG  40 -18.302   9.918  -2.172
  316   1HH2  ARG  40           HH12     ARG  40 -15.104  11.195  -1.775
  317   2HH2  ARG  40           HH11     ARG  40 -16.664  10.992  -1.049
  318    H    ILE  41           HN       ILE  41 -11.712  10.190  -8.914
  319    HA   ILE  41           HA       ILE  41  -9.972  10.989  -6.616
  320    HB   ILE  41           HB       ILE  41  -9.384  10.691  -9.567
  321   1HG1  ILE  41           HG12     ILE  41  -7.666   9.693  -7.333
  322   2HG1  ILE  41           HG11     ILE  41  -9.187   8.854  -7.649
  323   1HG2  ILE  41           HG22     ILE  41  -7.920  12.246  -7.442
  324   2HG2  ILE  41           HG21     ILE  41  -7.059  11.544  -8.812
  325   3HG2  ILE  41           HG23     ILE  41  -8.325  12.741  -9.086
  326   1HD1  ILE  41           HD11     ILE  41  -7.331   9.503  -9.925
  327   2HD1  ILE  41           HD13     ILE  41  -7.031   8.085  -8.921
  328   3HD1  ILE  41           HD12     ILE  41  -8.546   8.229  -9.813
  329    H    SER  42           HN       SER  42 -10.913  12.893  -5.919
  330    HA   SER  42           HA       SER  42 -12.295  14.789  -7.478
  331   1HB   SER  42           HB2      SER  42 -12.009  14.689  -4.915
  332   2HB   SER  42           HB1      SER  42 -10.506  15.570  -5.171
  333    HG   SER  42           HG       SER  42 -11.686  17.216  -6.140
  334    H    LEU  43           HN       LEU  43  -8.915  15.176  -6.342
  335    HA   LEU  43           HA       LEU  43  -8.386  16.667  -8.883
  336   1HB   LEU  43           HB2      LEU  43  -6.425  17.598  -7.322
  337   2HB   LEU  43           HB1      LEU  43  -8.030  18.331  -7.320
  338    HG   LEU  43           HG       LEU  43  -8.650  16.810  -5.415
  339   1HD1  LEU  43           HD13     LEU  43  -6.003  15.766  -6.063
  340   2HD1  LEU  43           HD12     LEU  43  -6.146  16.185  -4.356
  341   3HD1  LEU  43           HD11     LEU  43  -7.280  15.046  -5.081
  342   1HD2  LEU  43           HD23     LEU  43  -6.620  18.972  -5.342
  343   2HD2  LEU  43           HD22     LEU  43  -8.167  18.852  -4.503
  344   3HD2  LEU  43           HD21     LEU  43  -6.753  18.003  -3.875
  345    H    GLY  44           HN       GLY  44  -7.398  14.118  -6.736
  346   1HA   GLY  44           HA2      GLY  44  -6.000  12.284  -7.342
  347   2HA   GLY  44           HA1      GLY  44  -5.464  13.189  -8.756
  348    HA   PRO  45           HA       PRO  45  -3.045  14.852  -4.752
  349   1HB   PRO  45           HB2      PRO  45  -2.870  12.489  -3.136
  350   2HB   PRO  45           HB1      PRO  45  -3.582  14.050  -2.713
  351   1HG   PRO  45           HG2      PRO  45  -4.929  11.586  -3.247
  352   2HG   PRO  45           HG1      PRO  45  -5.636  13.147  -2.821
  353   1HD   PRO  45           HD2      PRO  45  -5.755  11.811  -5.330
  354   2HD   PRO  45           HD1      PRO  45  -6.389  13.409  -4.927
  355    H    ARG  46           HN       ARG  46  -2.653  11.301  -4.789
  356    HA   ARG  46           HA       ARG  46  -0.629  11.191  -6.777
  357   1HB   ARG  46           HB2      ARG  46   0.295  12.447  -4.457
  358   2HB   ARG  46           HB1      ARG  46   0.895  10.793  -4.327
  359   1HG   ARG  46           HG2      ARG  46   2.227  10.979  -6.199
  360   2HG   ARG  46           HG1      ARG  46   1.147  12.135  -6.980
  361   1HD   ARG  46           HD2      ARG  46   1.916  13.928  -5.574
  362   2HD   ARG  46           HD1      ARG  46   2.803  12.811  -4.536
  363    HE   ARG  46           HE       ARG  46   3.930  12.416  -7.035
  364   1HH1  ARG  46           HH21     ARG  46   3.281  15.122  -4.985
  365   2HH1  ARG  46           HH22     ARG  46   4.639  16.037  -5.549
  366   1HH2  ARG  46           HH12     ARG  46   5.701  13.604  -7.777
  367   2HH2  ARG  46           HH11     ARG  46   6.006  15.180  -7.128
  368    H    CYS  47           HN       CYS  47  -1.685   9.893  -3.627
  369    HA   CYS  47           HA       CYS  47  -0.628   7.289  -4.038
  370   1HB   CYS  47           HB2      CYS  47  -3.175   7.779  -2.486
  371   2HB   CYS  47           HB1      CYS  47  -1.991   6.530  -2.214
  372    H    ILE  48           HN       ILE  48  -3.519   8.806  -5.317
  373    HA   ILE  48           HA       ILE  48  -4.751   6.310  -5.961
  374    HB   ILE  48           HB       ILE  48  -6.282   7.547  -7.301
  375   1HG1  ILE  48           HG12     ILE  48  -4.523   8.820  -8.615
  376   2HG1  ILE  48           HG11     ILE  48  -5.935   9.758  -8.162
  377   1HG2  ILE  48           HG22     ILE  48  -5.462   8.504  -4.719
  378   2HG2  ILE  48           HG21     ILE  48  -6.102   9.838  -5.678
  379   3HG2  ILE  48           HG23     ILE  48  -7.086   8.402  -5.401
  380   1HD1  ILE  48           HD12     ILE  48  -4.646  10.521  -6.112
  381   2HD1  ILE  48           HD11     ILE  48  -3.214   9.802  -6.845
  382   3HD1  ILE  48           HD13     ILE  48  -4.047  11.128  -7.655
  383    H    LYS  49           HN       LYS  49  -2.789   8.511  -8.067
  384    HA   LYS  49           HA       LYS  49  -2.782   6.667 -10.262
  385   1HB   LYS  49           HB2      LYS  49  -1.213   9.066  -9.467
  386   2HB   LYS  49           HB1      LYS  49  -0.447   7.976 -10.624
  387   1HG   LYS  49           HG2      LYS  49  -2.993   8.124 -11.626
  388   2HG   LYS  49           HG1      LYS  49  -2.779   9.749 -10.972
  389   1HD   LYS  49           HD2      LYS  49  -1.503  10.289 -12.741
  390   2HD   LYS  49           HD1      LYS  49  -0.359   9.023 -12.298
  391   1HE   LYS  49           HE2      LYS  49  -1.093   7.642 -13.932
  392   2HE   LYS  49           HE1      LYS  49  -2.785   7.969 -13.556
  393   1HZ   LYS  49           HZ1      LYS  49  -2.609  10.059 -14.755
  394   2HZ   LYS  49           HZ3      LYS  49  -0.984   9.738 -15.120
  395   3HZ   LYS  49           HZ2      LYS  49  -2.209   8.752 -15.764
  396    H    ALA  50           HN       ALA  50  -0.175   7.380  -7.913
  397    HA   ALA  50           HA       ALA  50   1.588   5.296  -8.582
  398   1HB   ALA  50           HB2      ALA  50   0.866   6.362  -5.833
  399   2HB   ALA  50           HB1      ALA  50   2.243   5.311  -6.156
  400   3HB   ALA  50           HB3      ALA  50   2.184   6.926  -6.861
  401    H    PHE  51           HN       PHE  51  -0.703   5.259  -5.933
  402    HA   PHE  51           HA       PHE  51  -0.456   2.466  -5.602
  403   1HB   PHE  51           HB2      PHE  51  -1.414   2.912  -3.677
  404   2HB   PHE  51           HB1      PHE  51  -1.401   4.586  -4.108
  405    HD1  PHE  51           HD1      PHE  51  -3.680   4.335  -6.239
  406    HD2  PHE  51           HD2      PHE  51  -3.250   2.952  -2.223
  407    HE1  PHE  51           HE1      PHE  51  -6.137   4.306  -5.981
  408    HE2  PHE  51           HE2      PHE  51  -5.701   2.936  -1.958
  409    HZ   PHE  51           HZ       PHE  51  -7.151   3.606  -3.845
  410    H    THR  52           HN       THR  52  -2.122   4.122  -8.006
  411    HA   THR  52           HA       THR  52  -4.447   2.345  -8.177
  412    HB   THR  52           HB       THR  52  -3.342   4.575  -9.846
  413    HG1  THR  52           HG1      THR  52  -5.953   3.781  -9.078
  414   1HG2  THR  52           HG23     THR  52  -5.212   2.450 -10.940
  415   2HG2  THR  52           HG22     THR  52  -4.884   4.001 -11.713
  416   3HG2  THR  52           HG21     THR  52  -3.591   2.815 -11.532
  417    H    GLU  53           HN       GLU  53  -1.318   2.731  -9.832
  418    HA   GLU  53           HA       GLU  53  -1.745   0.278 -11.394
  419   1HB   GLU  53           HB2      GLU  53   0.063   2.438 -11.493
  420   2HB   GLU  53           HB1      GLU  53   1.046   1.032 -11.083
  421   1HG   GLU  53           HG2      GLU  53   0.951   0.357 -13.224
  422   2HG   GLU  53           HG1      GLU  53  -0.801   0.211 -13.086
  423    H    CYS  54           HN       CYS  54  -0.111   1.220  -8.426
  424    HA   CYS  54           HA       CYS  54   1.165  -1.319  -7.945
  425   1HB   CYS  54           HB2      CYS  54   2.072   0.506  -6.813
  426   2HB   CYS  54           HB1      CYS  54   0.498   1.102  -6.276
  427    H    CYS  55           HN       CYS  55  -1.979   0.025  -7.038
  428    HA   CYS  55           HA       CYS  55  -2.643  -2.271  -5.361
  429   1HB   CYS  55           HB2      CYS  55  -3.635   0.028  -5.007
  430   2HB   CYS  55           HB1      CYS  55  -4.575  -0.199  -6.476
  431    H    VAL  56           HN       VAL  56  -3.804  -1.053  -8.520
  432    HA   VAL  56           HA       VAL  56  -5.485  -3.170  -9.209
  433    HB   VAL  56           HB       VAL  56  -4.934  -2.685 -11.574
  434   1HG1  VAL  56           HG11     VAL  56  -5.459  -0.543  -9.572
  435   2HG1  VAL  56           HG13     VAL  56  -5.078  -0.021 -11.213
  436   3HG1  VAL  56           HG12     VAL  56  -6.452  -1.089 -10.923
  437   1HG2  VAL  56           HG21     VAL  56  -2.613  -1.256 -10.280
  438   2HG2  VAL  56           HG23     VAL  56  -2.591  -2.404 -11.619
  439   3HG2  VAL  56           HG22     VAL  56  -3.205  -0.770 -11.869
  440    H    VAL  57           HN       VAL  57  -1.923  -2.983  -9.778
  441    HA   VAL  57           HA       VAL  57  -1.738  -5.663 -10.783
  442    HB   VAL  57           HB       VAL  57   0.176  -4.259 -11.093
  443   1HG1  VAL  57           HG11     VAL  57  -0.486  -3.212  -8.619
  444   2HG1  VAL  57           HG13     VAL  57   1.014  -4.078  -8.286
  445   3HG1  VAL  57           HG12     VAL  57   0.972  -2.827  -9.527
  446   1HG2  VAL  57           HG21     VAL  57   0.331  -6.773  -9.745
  447   2HG2  VAL  57           HG23     VAL  57   1.522  -6.052 -10.826
  448   3HG2  VAL  57           HG22     VAL  57   1.605  -5.743  -9.093
  449    H    ALA  58           HN       ALA  58  -1.309  -4.377  -7.461
  450    HA   ALA  58           HA       ALA  58  -0.642  -6.654  -6.057
  451   1HB   ALA  58           HB3      ALA  58  -1.240  -4.358  -5.105
  452   2HB   ALA  58           HB2      ALA  58  -2.923  -4.878  -5.167
  453   3HB   ALA  58           HB1      ALA  58  -1.771  -5.746  -4.153
  454    H    SER  59           HN       SER  59  -4.041  -5.723  -6.555
  455    HA   SER  59           HA       SER  59  -5.273  -8.122  -5.827
  456   1HB   SER  59           HB2      SER  59  -6.348  -6.888  -8.284
  457   2HB   SER  59           HB1      SER  59  -7.149  -7.221  -6.755
  458    HG   SER  59           HG       SER  59  -6.905  -4.982  -7.080
  459    H    GLN  60           HN       GLN  60  -4.425  -7.160  -9.132
  460    HA   GLN  60           HA       GLN  60  -5.059  -9.548 -10.420
  461   1HB   GLN  60           HB2      GLN  60  -3.221  -7.285 -11.008
  462   2HB   GLN  60           HB1      GLN  60  -3.028  -8.749 -11.973
  463   1HG   GLN  60           HG2      GLN  60  -5.085  -8.530 -12.974
  464   2HG   GLN  60           HG1      GLN  60  -5.810  -7.770 -11.557
  465   1HE2  GLN  60           HE22     GLN  60  -5.512  -4.616 -13.081
  466   2HE2  GLN  60           HE21     GLN  60  -6.462  -5.701 -12.185
  467    H    LEU  61           HN       LEU  61  -1.611  -8.703 -10.072
  468    HA   LEU  61           HA       LEU  61  -0.744 -11.402 -10.311
  469   1HB   LEU  61           HB2      LEU  61   1.343 -10.499 -10.342
  470   2HB   LEU  61           HB1      LEU  61   0.487  -8.967 -10.396
  471    HG   LEU  61           HG       LEU  61   0.536  -9.354  -7.731
  472   1HD1  LEU  61           HD12     LEU  61   2.819 -10.905  -8.897
  473   2HD1  LEU  61           HD11     LEU  61   3.037 -10.053  -7.370
  474   3HD1  LEU  61           HD13     LEU  61   1.802 -11.300  -7.511
  475   1HD2  LEU  61           HD22     LEU  61   2.129  -7.891  -9.688
  476   2HD2  LEU  61           HD21     LEU  61   1.451  -7.336  -8.156
  477   3HD2  LEU  61           HD23     LEU  61   3.001  -8.177  -8.183
  478    H    ARG  62           HN       ARG  62  -2.277 -10.034  -7.604
  479    HA   ARG  62           HA       ARG  62  -0.879 -12.026  -5.882
  480   1HB   ARG  62           HB2      ARG  62  -2.775  -9.819  -5.015
  481   2HB   ARG  62           HB1      ARG  62  -1.852 -10.875  -3.950
  482   1HG   ARG  62           HG2      ARG  62  -0.221  -9.482  -5.972
  483   2HG   ARG  62           HG1      ARG  62  -1.001  -8.420  -4.802
  484   1HD   ARG  62           HD2      ARG  62   0.378 -10.895  -3.834
  485   2HD   ARG  62           HD1      ARG  62   1.357  -9.495  -4.258
  486    HE   ARG  62           HE       ARG  62  -0.136  -9.836  -1.843
  487   1HH1  ARG  62           HH21     ARG  62   0.458  -7.474  -4.290
  488   2HH1  ARG  62           HH22     ARG  62  -0.111  -6.153  -3.327
  489   1HH2  ARG  62           HH12     ARG  62  -0.860  -8.128  -0.581
  490   2HH2  ARG  62           HH11     ARG  62  -0.850  -6.521  -1.228
  491    H    ALA  63           HN       ALA  63  -3.732 -11.541  -7.621
  492    HA   ALA  63           HA       ALA  63  -5.258 -13.457  -5.939
  493   1HB   ALA  63           HB2      ALA  63  -5.999 -11.546  -8.147
  494   2HB   ALA  63           HB1      ALA  63  -7.078 -12.870  -7.707
  495   3HB   ALA  63           HB3      ALA  63  -6.650 -11.646  -6.511
  496    H    ASN  64           HN       ASN  64  -3.310 -13.332  -8.739
  497    HA   ASN  64           HA       ASN  64  -3.571 -16.146  -9.213
  498   1HB   ASN  64           HB2      ASN  64  -5.669 -14.698 -10.313
  499   2HB   ASN  64           HB1      ASN  64  -4.551 -14.885 -11.665
  500   1HD2  ASN  64           HD22     ASN  64  -5.181 -18.338 -12.037
  501   2HD2  ASN  64           HD21     ASN  64  -4.349 -16.970 -12.603
  502    H    ILE  65           HN       ILE  65  -1.484 -14.125  -8.932
  503    HA   ILE  65           HA       ILE  65  -0.091 -13.038 -10.926
  504    HB   ILE  65           HB       ILE  65   1.807 -14.947 -10.066
  505   1HG1  ILE  65           HG12     ILE  65  -0.035 -14.095  -7.822
  506   2HG1  ILE  65           HG11     ILE  65   0.104 -15.740  -8.438
  507   1HG2  ILE  65           HG23     ILE  65   1.095 -12.118  -9.562
  508   2HG2  ILE  65           HG22     ILE  65   2.161 -12.867  -8.377
  509   3HG2  ILE  65           HG21     ILE  65   2.628 -12.811 -10.077
  510   1HD1  ILE  65           HD13     ILE  65   2.742 -14.941  -7.932
  511   2HD1  ILE  65           HD12     ILE  65   1.819 -14.333  -6.559
  512   3HD1  ILE  65           HD11     ILE  65   1.777 -16.050  -6.958
  513    H    SER  66           HN       SER  66  -0.782 -13.716 -13.013
  514    HA   SER  66           HA       SER  66   0.586 -16.189 -13.960
  515   1HB   SER  66           HB2      SER  66  -1.863 -16.636 -13.599
  516   2HB   SER  66           HB1      SER  66  -2.219 -15.378 -14.780
  517    HG   SER  66           HG       SER  66  -0.419 -17.440 -15.416
  518    H    HIS  67           HN       HIS  67  -1.533 -13.728 -15.461
  519    HA   HIS  67           HA       HIS  67   0.790 -12.959 -17.179
  520   1HB   HIS  67           HB2      HIS  67  -1.373 -14.343 -18.110
  521   2HB   HIS  67           HB1      HIS  67  -1.905 -12.679 -18.363
  522    HD1  HIS  67           HD1      HIS  67  -0.505 -15.105 -20.332
  523    HD2  HIS  67           HD2      HIS  67   0.822 -11.269 -19.389
  524    HE1  HIS  67           HE1      HIS  67   1.119 -14.441 -22.159
  525    H    LYS  68           HN       LYS  68  -2.242 -11.984 -15.650
  526    HA   LYS  68           HA       LYS  68  -2.212  -9.247 -16.473
  527   1HB   LYS  68           HB2      LYS  68  -3.413 -10.720 -14.135
  528   2HB   LYS  68           HB1      LYS  68  -3.503  -8.960 -14.218
  529   1HG   LYS  68           HG2      LYS  68  -4.489 -10.881 -16.350
  530   2HG   LYS  68           HG1      LYS  68  -5.507  -9.981 -15.225
  531   1HD   LYS  68           HD2      LYS  68  -3.770  -8.092 -16.433
  532   2HD   LYS  68           HD1      LYS  68  -4.400  -9.105 -17.733
  533   1HE   LYS  68           HE2      LYS  68  -6.595  -8.619 -16.043
  534   2HE   LYS  68           HE1      LYS  68  -5.766  -7.070 -16.187
  535   1HZ   LYS  68           HZ1      LYS  68  -6.207  -8.692 -18.595
  536   2HZ   LYS  68           HZ3      LYS  68  -7.498  -7.794 -17.961
  537   3HZ   LYS  68           HZ2      LYS  68  -6.072  -7.006 -18.440
  538    H    ASP  69           HN       ASP  69  -1.044  -7.508 -15.713
  539    HA   ASP  69           HA       ASP  69   0.169  -7.409 -13.106
  540   1HB   ASP  69           HB2      ASP  69   1.579  -9.025 -14.835
  541   2HB   ASP  69           HB1      ASP  69   2.379  -7.467 -15.047
  542    H    MET  70           HN       MET  70   0.624  -5.282 -12.661
  543    HA   MET  70           HA       MET  70   0.859  -3.428 -14.998
  544   1HB   MET  70           HB2      MET  70  -1.141  -3.485 -12.981
  545   2HB   MET  70           HB1      MET  70  -0.133  -2.074 -12.661
  546   1HG   MET  70           HG2      MET  70  -0.715  -1.037 -14.625
  547   2HG   MET  70           HG1      MET  70  -0.894  -2.559 -15.497
  548   1HE   MET  70           HE2      MET  70  -2.404  -3.951 -15.587
  549   2HE   MET  70           HE1      MET  70  -3.811  -4.185 -14.554
  550   3HE   MET  70           HE3      MET  70  -3.952  -3.246 -16.047
  551    H    CYS  71           HN       CYS  71   1.144  -2.760 -11.515
  552    HA   CYS  71           HA       CYS  71   4.071  -2.405 -11.867
  553   1HB   CYS  71           HB2      CYS  71   2.291  -0.251 -11.881
  554   2HB   CYS  71           HB1      CYS  71   2.924  -0.267 -10.230
  555   1H    CYS  72           HN3      CYS  72   3.503   4.418 -11.513
  556   2H    CYS  72           HN2      CYS  72   2.173   3.373 -11.682
  557   3H    CYS  72           HN1      CYS  72   1.977   4.889 -10.941
  558    HA   CYS  72           HA       CYS  72   2.014   3.237  -9.231
  559   1HB   CYS  72           HB2      CYS  72   4.532   2.209  -9.161
  560   2HB   CYS  72           HB1      CYS  72   3.105   1.356  -9.725
  561    H    LEU  73           HN       LEU  73   5.168   4.535 -10.310
  562    HA   LEU  73           HA       LEU  73   5.937   5.300  -7.667
  563   1HB   LEU  73           HB2      LEU  73   7.037   6.716 -10.075
  564   2HB   LEU  73           HB1      LEU  73   7.879   6.158  -8.629
  565    HG   LEU  73           HG       LEU  73   6.814   3.828  -9.753
  566   1HD1  LEU  73           HD13     LEU  73   7.317   5.862 -11.804
  567   2HD1  LEU  73           HD12     LEU  73   8.241   4.382 -12.062
  568   3HD1  LEU  73           HD11     LEU  73   6.483   4.314 -11.939
  569   1HD2  LEU  73           HD23     LEU  73   9.401   5.055  -9.204
  570   2HD2  LEU  73           HD22     LEU  73   8.916   3.365  -9.064
  571   3HD2  LEU  73           HD21     LEU  73   9.468   3.999 -10.614
  572    H    GLY  74           HN       GLY  74   6.680   7.871  -7.535
  573   1HA   GLY  74           HA2      GLY  74   4.360   9.534  -8.383
  574   2HA   GLY  74           HA1      GLY  74   4.773   9.476  -6.670
  575   1HN   DAR  75           HN       ARG  75   7.315   9.318  -9.054
  576    HA   DAR  75           HA       ARG  75   9.183  10.749  -9.275
  577   1HB   DAR  75           HB1      ARG  75   8.416  11.265  -6.738
  578   2HB   DAR  75           HB2      ARG  75   8.053  12.829  -7.470
  579   1HG   DAR  75           HG1      ARG  75  10.294  13.178  -8.114
  580   2HG   DAR  75           HG2      ARG  75  10.698  11.467  -7.966
  581   1HD   DAR  75           HD1      ARG  75  11.318  11.769  -5.823
  582   2HD   DAR  75           HD2      ARG  75   9.725  12.417  -5.441
  583    HNE  DAR  75           HE       ARG  75  10.763  14.485  -5.255
  584   1HH1  DAR  75           HH11     ARG  75  11.952  16.218  -6.032
  585   2HH1  DAR  75           HH12     ARG  75  13.043  15.987  -7.357
  586   1HH2  DAR  75           HH21     ARG  75  12.366  12.609  -7.689
  587   2HH2  DAR  75           HH22     ARG  75  13.267  13.954  -8.295
   
  No H/Q in entry =         587
  Start of MODEL   11
    1   1H    MET   1           HN2      MET   1  16.437  -3.587  -1.410
    2   2H    MET   1           HN1      MET   1  15.681  -3.134  -2.863
    3   3H    MET   1           HN3      MET   1  14.775  -3.863  -1.629
    4    HA   MET   1           HA       MET   1  15.158  -5.520  -3.262
    5   1HB   MET   1           HB2      MET   1  17.569  -6.089  -3.823
    6   2HB   MET   1           HB1      MET   1  17.000  -4.547  -4.463
    7   1HG   MET   1           HG2      MET   1  17.987  -3.420  -2.445
    8   2HG   MET   1           HG1      MET   1  18.681  -4.972  -1.977
    9   1HE   MET   1           HE2      MET   1  18.764  -1.953  -3.432
   10   2HE   MET   1           HE1      MET   1  20.473  -1.797  -3.834
   11   3HE   MET   1           HE3      MET   1  19.280  -2.053  -5.114
   12    H    LEU   2           HN       LEU   2  14.352  -6.150  -0.982
   13    HA   LEU   2           HA       LEU   2  16.473  -7.523   0.591
   14   1HB   LEU   2           HB2      LEU   2  13.579  -6.882   1.231
   15   2HB   LEU   2           HB1      LEU   2  14.656  -7.778   2.304
   16    HG   LEU   2           HG       LEU   2  14.716  -5.480   3.013
   17   1HD1  LEU   2           HD13     LEU   2  16.955  -6.889   2.297
   18   2HD1  LEU   2           HD12     LEU   2  17.194  -5.380   1.414
   19   3HD1  LEU   2           HD11     LEU   2  16.982  -5.353   3.165
   20   1HD2  LEU   2           HD22     LEU   2  14.067  -4.883   0.422
   21   2HD2  LEU   2           HD21     LEU   2  14.610  -3.691   1.603
   22   3HD2  LEU   2           HD23     LEU   2  15.762  -4.399   0.468
   23    H    GLN   3           HN       GLN   3  13.124  -8.562   0.556
   24    HA   GLN   3           HA       GLN   3  13.488 -10.734  -1.318
   25   1HB   GLN   3           HB2      GLN   3  14.659 -11.179   1.165
   26   2HB   GLN   3           HB1      GLN   3  13.092 -11.978   1.299
   27   1HG   GLN   3           HG2      GLN   3  13.575 -13.512  -0.347
   28   2HG   GLN   3           HG1      GLN   3  14.624 -12.398  -1.225
   29   1HE2  GLN   3           HE22     GLN   3  16.224 -14.907   1.526
   30   2HE2  GLN   3           HE21     GLN   3  14.564 -14.924   1.170
   31    H    LYS   4           HN       LYS   4  11.442  -9.344  -1.684
   32    HA   LYS   4           HA       LYS   4   9.168 -10.756  -0.391
   33   1HB   LYS   4           HB2      LYS   4   9.119  -7.762  -0.770
   34   2HB   LYS   4           HB1      LYS   4   8.024  -8.760   0.188
   35   1HG   LYS   4           HG2      LYS   4  10.343  -9.391   1.402
   36   2HG   LYS   4           HG1      LYS   4  10.750  -7.767   0.849
   37   1HD   LYS   4           HD2      LYS   4   9.779  -7.354   2.943
   38   2HD   LYS   4           HD1      LYS   4   8.421  -7.114   1.841
   39   1HE   LYS   4           HE2      LYS   4   7.282  -8.787   2.823
   40   2HE   LYS   4           HE1      LYS   4   8.611  -9.906   2.519
   41   1HZ   LYS   4           HZ3      LYS   4   9.685  -8.712   4.521
   42   2HZ   LYS   4           HZ2      LYS   4   8.097  -8.233   4.887
   43   3HZ   LYS   4           HZ1      LYS   4   8.492  -9.883   4.803
   44    H    LYS   5           HN       LYS   5   7.048  -9.785  -1.609
   45    HA   LYS   5           HA       LYS   5   7.654 -10.153  -4.496
   46   1HB   LYS   5           HB2      LYS   5   5.375 -10.773  -2.728
   47   2HB   LYS   5           HB1      LYS   5   4.916 -10.119  -4.301
   48   1HG   LYS   5           HG2      LYS   5   5.712 -11.936  -5.444
   49   2HG   LYS   5           HG1      LYS   5   7.041 -12.196  -4.314
   50   1HD   LYS   5           HD2      LYS   5   4.247 -12.649  -3.342
   51   2HD   LYS   5           HD1      LYS   5   4.977 -13.867  -4.389
   52   1HE   LYS   5           HE2      LYS   5   6.771 -14.247  -2.874
   53   2HE   LYS   5           HE1      LYS   5   6.408 -12.784  -1.959
   54   1HZ   LYS   5           HZ1      LYS   5   4.161 -13.908  -1.544
   55   2HZ   LYS   5           HZ3      LYS   5   4.937 -15.341  -2.015
   56   3HZ   LYS   5           HZ2      LYS   5   5.509 -14.467  -0.674
   57    H    ILE   6           HN       ILE   6   4.765  -8.503  -3.390
   58    HA   ILE   6           HA       ILE   6   5.516  -6.186  -5.048
   59    HB   ILE   6           HB       ILE   6   3.000  -7.239  -3.830
   60   1HG1  ILE   6           HG12     ILE   6   3.813  -7.500  -6.256
   61   2HG1  ILE   6           HG11     ILE   6   2.160  -6.930  -6.035
   62   1HG2  ILE   6           HG22     ILE   6   3.135  -4.907  -2.951
   63   2HG2  ILE   6           HG21     ILE   6   3.322  -4.320  -4.604
   64   3HG2  ILE   6           HG23     ILE   6   1.823  -5.112  -4.114
   65   1HD1  ILE   6           HD11     ILE   6   4.479  -5.016  -6.352
   66   2HD1  ILE   6           HD13     ILE   6   3.592  -5.649  -7.740
   67   3HD1  ILE   6           HD12     ILE   6   2.757  -4.678  -6.527
   68    H    GLU   7           HN       GLU   7   6.099  -7.087  -1.908
   69    HA   GLU   7           HA       GLU   7   5.463  -4.757  -0.405
   70   1HB   GLU   7           HB2      GLU   7   7.792  -6.666  -0.070
   71   2HB   GLU   7           HB1      GLU   7   7.199  -5.548   1.151
   72   1HG   GLU   7           HG2      GLU   7   5.008  -7.112   0.115
   73   2HG   GLU   7           HG1      GLU   7   6.296  -8.178   0.676
   74    H    GLU   8           HN       GLU   8   8.801  -5.628  -1.381
   75    HA   GLU   8           HA       GLU   8   9.679  -2.890  -1.226
   76   1HB   GLU   8           HB2      GLU   8  11.735  -3.697  -2.328
   77   2HB   GLU   8           HB1      GLU   8  11.243  -4.825  -1.065
   78   1HG   GLU   8           HG2      GLU   8  10.258  -6.320  -2.694
   79   2HG   GLU   8           HG1      GLU   8  10.520  -5.152  -3.990
   80    H    ILE   9           HN       ILE   9   8.150  -4.777  -3.758
   81    HA   ILE   9           HA       ILE   9   8.867  -3.155  -5.997
   82    HB   ILE   9           HB       ILE   9   6.216  -4.509  -5.375
   83   1HG1  ILE   9           HG12     ILE   9   8.348  -5.925  -5.522
   84   2HG1  ILE   9           HG11     ILE   9   7.047  -6.370  -6.628
   85   1HG2  ILE   9           HG22     ILE   9   7.334  -3.414  -7.973
   86   2HG2  ILE   9           HG21     ILE   9   5.856  -4.365  -7.831
   87   3HG2  ILE   9           HG23     ILE   9   5.954  -2.771  -7.082
   88   1HD1  ILE   9           HD13     ILE   9   8.128  -5.050  -8.420
   89   2HD1  ILE   9           HD12     ILE   9   9.437  -4.633  -7.314
   90   3HD1  ILE   9           HD11     ILE   9   9.204  -6.308  -7.813
   91    H    ALA  10           HN       ALA  10   6.574  -2.837  -3.374
   92    HA   ALA  10           HA       ALA  10   5.474  -0.286  -4.300
   93   1HB   ALA  10           HB2      ALA  10   5.286  -1.823  -1.688
   94   2HB   ALA  10           HB1      ALA  10   4.497  -0.266  -1.949
   95   3HB   ALA  10           HB3      ALA  10   4.037  -1.663  -2.923
   96    H    ALA  11           HN       ALA  11   8.062  -1.486  -2.315
   97    HA   ALA  11           HA       ALA  11   8.696   0.816  -0.805
   98   1HB   ALA  11           HB2      ALA  11  10.492  -1.343  -1.906
   99   2HB   ALA  11           HB1      ALA  11  11.023  -0.114  -0.760
  100   3HB   ALA  11           HB3      ALA  11   9.777  -1.272  -0.295
  101    H    LYS  12           HN       LYS  12   9.452  -0.065  -4.133
  102    HA   LYS  12           HA       LYS  12  11.371   2.062  -4.563
  103   1HB   LYS  12           HB2      LYS  12   9.992   0.020  -6.230
  104   2HB   LYS  12           HB1      LYS  12  10.598   1.450  -7.065
  105   1HG   LYS  12           HG2      LYS  12  12.585   0.357  -7.100
  106   2HG   LYS  12           HG1      LYS  12  12.700   0.817  -5.401
  107   1HD   LYS  12           HD2      LYS  12  13.029  -1.506  -5.323
  108   2HD   LYS  12           HD1      LYS  12  11.308  -1.347  -4.969
  109   1HE   LYS  12           HE2      LYS  12  11.282  -2.990  -6.623
  110   2HE   LYS  12           HE1      LYS  12  11.048  -1.529  -7.582
  111   1HZ   LYS  12           HZ1      LYS  12  13.810  -2.099  -7.123
  112   2HZ   LYS  12           HZ3      LYS  12  13.027  -3.375  -7.920
  113   3HZ   LYS  12           HZ2      LYS  12  12.994  -1.812  -8.585
  114    H    TYR  13           HN       TYR  13   8.002   2.104  -4.260
  115    HA   TYR  13           HA       TYR  13   7.411   4.152  -6.221
  116   1HB   TYR  13           HB2      TYR  13   5.943   3.154  -3.756
  117   2HB   TYR  13           HB1      TYR  13   5.330   4.487  -4.721
  118    HD1  TYR  13           HD1      TYR  13   7.011   1.293  -5.581
  119    HD2  TYR  13           HD2      TYR  13   3.495   3.732  -6.110
  120    HE1  TYR  13           HE1      TYR  13   6.124  -0.336  -7.211
  121    HE2  TYR  13           HE2      TYR  13   2.653   2.121  -7.746
  122    HH   TYR  13           HH       TYR  13   3.284  -0.748  -8.011
  123    H    LYS  14           HN       LYS  14   9.013   5.694  -5.964
  124    HA   LYS  14           HA       LYS  14  10.457   7.067  -4.477
  125   1HB   LYS  14           HB2      LYS  14   8.402   8.097  -6.129
  126   2HB   LYS  14           HB1      LYS  14   8.461   9.107  -4.685
  127   1HG   LYS  14           HG2      LYS  14  10.024  10.002  -6.312
  128   2HG   LYS  14           HG1      LYS  14  10.942   9.294  -4.983
  129   1HD   LYS  14           HD2      LYS  14  10.993   7.142  -6.401
  130   2HD   LYS  14           HD1      LYS  14  10.477   8.165  -7.743
  131   1HE   LYS  14           HE2      LYS  14  12.558   9.598  -6.554
  132   2HE   LYS  14           HE1      LYS  14  13.112   7.923  -6.523
  133   1HZ   LYS  14           HZ2      LYS  14  12.408   7.820  -8.918
  134   2HZ   LYS  14           HZ1      LYS  14  12.246   9.510  -8.869
  135   3HZ   LYS  14           HZ3      LYS  14  13.760   8.796  -8.592
  136    H    HIS  15           HN       HIS  15  10.733   6.885  -2.319
  137    HA   HIS  15           HA       HIS  15   8.840   6.606  -0.308
  138   1HB   HIS  15           HB2      HIS  15  10.527   7.588   1.232
  139   2HB   HIS  15           HB1      HIS  15  11.245   6.423   0.120
  140    HD1  HIS  15           HD1      HIS  15  12.810   8.839   1.465
  141    HD2  HIS  15           HD2      HIS  15  11.293   8.791  -2.417
  142    HE1  HIS  15           HE1      HIS  15  14.153  10.532   0.149
  143    H    SER  16           HN       SER  16   9.582   9.488  -2.123
  144    HA   SER  16           HA       SER  16   8.817  11.584  -0.497
  145   1HB   SER  16           HB2      SER  16   8.268  11.005  -3.390
  146   2HB   SER  16           HB1      SER  16   7.555  12.432  -2.645
  147    HG   SER  16           HG       SER  16   9.840  12.757  -1.854
  148    H    VAL  17           HN       VAL  17   6.336  10.258  -2.673
  149    HA   VAL  17           HA       VAL  17   4.485  10.062  -0.343
  150    HB   VAL  17           HB       VAL  17   4.042  11.602  -2.912
  151   1HG1  VAL  17           HG13     VAL  17   2.062  10.367  -1.008
  152   2HG1  VAL  17           HG12     VAL  17   1.665  11.856  -1.866
  153   3HG1  VAL  17           HG11     VAL  17   2.035  10.388  -2.772
  154   1HG2  VAL  17           HG23     VAL  17   4.463  12.219  -0.078
  155   2HG2  VAL  17           HG22     VAL  17   4.596  13.273  -1.485
  156   3HG2  VAL  17           HG21     VAL  17   3.023  12.995  -0.737
  157    H    VAL  18           HN       VAL  18   4.949   9.467  -3.809
  158    HA   VAL  18           HA       VAL  18   3.022   7.565  -4.377
  159    HB   VAL  18           HB       VAL  18   4.686   8.338  -6.003
  160   1HG1  VAL  18           HG12     VAL  18   6.486   7.017  -4.036
  161   2HG1  VAL  18           HG11     VAL  18   6.961   6.984  -5.730
  162   3HG1  VAL  18           HG13     VAL  18   6.712   8.525  -4.911
  163   1HG2  VAL  18           HG21     VAL  18   4.000   5.545  -5.558
  164   2HG2  VAL  18           HG23     VAL  18   4.100   6.435  -7.076
  165   3HG2  VAL  18           HG22     VAL  18   5.546   5.694  -6.391
  166    H    LYS  19           HN       LYS  19   5.730   7.211  -2.188
  167    HA   LYS  19           HA       LYS  19   5.809   4.337  -2.166
  168   1HB   LYS  19           HB2      LYS  19   7.710   5.310  -1.225
  169   2HB   LYS  19           HB1      LYS  19   6.782   6.522  -0.356
  170   1HG   LYS  19           HG2      LYS  19   6.765   5.212   1.486
  171   2HG   LYS  19           HG1      LYS  19   6.030   3.894   0.578
  172   1HD   LYS  19           HD2      LYS  19   7.987   2.792   0.369
  173   2HD   LYS  19           HD1      LYS  19   8.867   4.261  -0.050
  174   1HE   LYS  19           HE2      LYS  19   9.059   4.887   2.279
  175   2HE   LYS  19           HE1      LYS  19   7.994   3.568   2.767
  176   1HZ   LYS  19           HZ2      LYS  19   9.663   2.029   1.770
  177   2HZ   LYS  19           HZ1      LYS  19  10.711   3.356   1.600
  178   3HZ   LYS  19           HZ3      LYS  19  10.209   2.867   3.144
  179    H    LYS  20           HN       LYS  20   4.976   6.021   0.824
  180    HA   LYS  20           HA       LYS  20   3.320   4.144   1.942
  181   1HB   LYS  20           HB2      LYS  20   2.820   7.138   1.972
  182   2HB   LYS  20           HB1      LYS  20   2.139   5.980   3.116
  183   1HG   LYS  20           HG2      LYS  20   4.284   5.449   4.011
  184   2HG   LYS  20           HG1      LYS  20   5.118   6.256   2.682
  185   1HD   LYS  20           HD2      LYS  20   3.253   8.019   4.101
  186   2HD   LYS  20           HD1      LYS  20   4.540   7.401   5.136
  187   1HE   LYS  20           HE2      LYS  20   6.183   8.512   3.990
  188   2HE   LYS  20           HE1      LYS  20   5.365   8.332   2.438
  189   1HZ   LYS  20           HZ3      LYS  20   4.033  10.011   4.397
  190   2HZ   LYS  20           HZ2      LYS  20   5.487  10.624   3.769
  191   3HZ   LYS  20           HZ1      LYS  20   4.208  10.224   2.724
  192    H    CYS  21           HN       CYS  21   2.524   6.220  -0.745
  193    HA   CYS  21           HA       CYS  21  -0.341   5.878  -0.791
  194   1HB   CYS  21           HB2      CYS  21   1.630   6.248  -3.041
  195   2HB   CYS  21           HB1      CYS  21  -0.117   6.389  -3.120
  196    H    CYS  22           HN       CYS  22   2.168   4.303  -2.805
  197    HA   CYS  22           HA       CYS  22   0.436   2.409  -3.940
  198   1HB   CYS  22           HB2      CYS  22   2.335   2.468  -5.089
  199   2HB   CYS  22           HB1      CYS  22   3.358   2.708  -3.681
  200    H    TYR  23           HN       TYR  23   2.365   2.354  -0.975
  201    HA   TYR  23           HA       TYR  23   1.791  -0.341  -0.206
  202   1HB   TYR  23           HB2      TYR  23   2.421   2.172   1.359
  203   2HB   TYR  23           HB1      TYR  23   2.051   0.653   2.177
  204    HD1  TYR  23           HD2      TYR  23   4.305   2.200  -0.346
  205    HD2  TYR  23           HD1      TYR  23   3.694  -1.043   2.393
  206    HE1  TYR  23           HE2      TYR  23   6.641   1.461  -0.708
  207    HE2  TYR  23           HE1      TYR  23   6.031  -1.791   2.029
  208    HH   TYR  23           HH       TYR  23   8.338  -0.226   1.112
  209    H    ASP  24           HN       ASP  24   0.093   2.704  -0.020
  210    HA   ASP  24           HA       ASP  24  -2.082   1.850   1.655
  211   1HB   ASP  24           HB2      ASP  24  -1.582   4.181  -0.217
  212   2HB   ASP  24           HB1      ASP  24  -3.240   3.835   0.307
  213    H    GLY  25           HN       GLY  25  -1.399   1.650  -1.764
  214   1HA   GLY  25           HA2      GLY  25  -4.059   0.943  -2.619
  215   2HA   GLY  25           HA1      GLY  25  -2.570   0.686  -3.529
  216    H    ALA  26           HN       ALA  26  -1.110  -1.075  -2.213
  217    HA   ALA  26           HA       ALA  26  -2.724  -3.515  -2.375
  218   1HB   ALA  26           HB3      ALA  26   0.216  -3.069  -1.806
  219   2HB   ALA  26           HB2      ALA  26  -0.532  -4.655  -1.991
  220   3HB   ALA  26           HB1      ALA  26  -0.503  -3.530  -3.348
  221    H    SER  27           HN       SER  27  -1.972  -1.398   0.189
  222    HA   SER  27           HA       SER  27  -2.055  -3.586   2.176
  223   1HB   SER  27           HB2      SER  27  -1.594  -0.662   2.584
  224   2HB   SER  27           HB1      SER  27  -1.424  -1.908   3.794
  225    HG   SER  27           HG       SER  27   0.539  -2.093   3.087
  226    H    VAL  28           HN       VAL  28  -3.660  -0.481   1.501
  227    HA   VAL  28           HA       VAL  28  -5.626  -0.516   3.461
  228    HB   VAL  28           HB       VAL  28  -5.891   0.270   0.547
  229   1HG1  VAL  28           HG12     VAL  28  -7.714   0.639   2.924
  230   2HG1  VAL  28           HG11     VAL  28  -7.784   1.699   1.518
  231   3HG1  VAL  28           HG13     VAL  28  -8.109  -0.022   1.338
  232   1HG2  VAL  28           HG23     VAL  28  -4.179   1.442   2.012
  233   2HG2  VAL  28           HG22     VAL  28  -5.422   2.500   1.342
  234   3HG2  VAL  28           HG21     VAL  28  -5.520   1.979   3.024
  235    H    ASN  29           HN       ASN  29  -7.946  -1.224   3.318
  236    HA   ASN  29           HA       ASN  29  -8.306  -3.951   3.042
  237   1HB   ASN  29           HB2      ASN  29 -10.020  -1.776   3.469
  238   2HB   ASN  29           HB1      ASN  29 -10.676  -2.578   2.046
  239   1HD2  ASN  29           HD22     ASN  29 -12.174  -4.327   4.938
  240   2HD2  ASN  29           HD21     ASN  29 -12.286  -2.793   4.223
  241    H    ASN  30           HN       ASN  30  -9.595  -5.147   1.316
  242    HA   ASN  30           HA       ASN  30  -8.274  -5.212  -1.136
  243   1HB   ASN  30           HB2      ASN  30 -10.501  -6.178  -2.030
  244   2HB   ASN  30           HB1      ASN  30  -9.741  -7.019  -0.679
  245   1HD2  ASN  30           HD22     ASN  30 -12.638  -6.656   1.271
  246   2HD2  ASN  30           HD21     ASN  30 -11.306  -7.608   0.822
  247    H    ASP  31           HN       ASP  31 -10.689  -2.953  -0.030
  248    HA   ASP  31           HA       ASP  31 -10.233  -1.318  -2.419
  249   1HB   ASP  31           HB2      ASP  31 -12.943  -2.522  -1.810
  250   2HB   ASP  31           HB1      ASP  31 -12.714  -1.140  -2.883
  251    H    GLU  32           HN       GLU  32 -10.211  -1.293   0.732
  252    HA   GLU  32           HA       GLU  32 -12.148   0.596   1.583
  253   1HB   GLU  32           HB2      GLU  32 -11.026  -0.242   3.399
  254   2HB   GLU  32           HB1      GLU  32  -9.469  -0.231   2.585
  255   1HG   GLU  32           HG2      GLU  32  -9.017   1.931   3.215
  256   2HG   GLU  32           HG1      GLU  32 -10.702   2.429   3.060
  257    H    THR  33           HN       THR  33  -8.975   1.021   0.073
  258    HA   THR  33           HA       THR  33  -9.738   3.843  -0.533
  259    HB   THR  33           HB       THR  33  -6.925   2.910   0.083
  260    HG1  THR  33           HG1      THR  33  -7.451   4.445   1.936
  261   1HG2  THR  33           HG23     THR  33  -8.194   5.447  -0.802
  262   2HG2  THR  33           HG22     THR  33  -6.891   5.573   0.380
  263   3HG2  THR  33           HG21     THR  33  -6.598   4.797  -1.176
  264    H    CYS  34           HN       CYS  34  -7.994   0.917  -1.487
  265    HA   CYS  34           HA       CYS  34  -6.743   1.508  -3.874
  266   1HB   CYS  34           HB2      CYS  34  -7.250  -0.792  -2.868
  267   2HB   CYS  34           HB1      CYS  34  -8.813  -0.697  -3.678
  268    H    GLU  35           HN       GLU  35 -10.216   1.432  -3.273
  269    HA   GLU  35           HA       GLU  35 -10.811   2.160  -6.081
  270   1HB   GLU  35           HB2      GLU  35 -12.225   0.483  -4.933
  271   2HB   GLU  35           HB1      GLU  35 -12.688   1.703  -3.745
  272   1HG   GLU  35           HG2      GLU  35 -13.054   2.702  -6.446
  273   2HG   GLU  35           HG1      GLU  35 -13.949   1.201  -6.202
  274    H    GLN  36           HN       GLN  36 -12.071   3.445  -2.982
  275    HA   GLN  36           HA       GLN  36 -13.031   5.879  -3.770
  276   1HB   GLN  36           HB2      GLN  36 -12.072   4.794  -1.323
  277   2HB   GLN  36           HB1      GLN  36 -11.383   6.409  -1.478
  278   1HG   GLN  36           HG2      GLN  36 -13.710   7.238  -2.045
  279   2HG   GLN  36           HG1      GLN  36 -14.307   5.642  -1.589
  280   1HE2  GLN  36           HE22     GLN  36 -12.439   7.638   1.480
  281   2HE2  GLN  36           HE21     GLN  36 -11.683   7.552  -0.037
  282    H    ARG  37           HN       ARG  37  -9.672   4.969  -3.675
  283    HA   ARG  37           HA       ARG  37  -8.839   7.712  -4.403
  284   1HB   ARG  37           HB2      ARG  37  -7.417   5.277  -3.374
  285   2HB   ARG  37           HB1      ARG  37  -6.504   6.549  -4.180
  286   1HG   ARG  37           HG2      ARG  37  -8.372   6.996  -1.832
  287   2HG   ARG  37           HG1      ARG  37  -6.621   6.841  -1.693
  288   1HD   ARG  37           HD2      ARG  37  -6.539   9.076  -2.005
  289   2HD   ARG  37           HD1      ARG  37  -6.943   8.747  -3.688
  290    HE   ARG  37           HE       ARG  37  -9.406   8.806  -2.439
  291   1HH1  ARG  37           HH21     ARG  37  -6.644  10.877  -2.577
  292   2HH1  ARG  37           HH22     ARG  37  -7.567  12.332  -2.404
  293   1HH2  ARG  37           HH12     ARG  37 -10.617  10.699  -2.212
  294   2HH2  ARG  37           HH11     ARG  37  -9.812  12.232  -2.198
  295    H    ALA  38           HN       ALA  38  -8.630   4.323  -5.654
  296    HA   ALA  38           HA       ALA  38  -7.378   5.318  -8.124
  297   1HB   ALA  38           HB1      ALA  38  -7.015   3.000  -7.038
  298   2HB   ALA  38           HB3      ALA  38  -8.561   2.569  -7.768
  299   3HB   ALA  38           HB2      ALA  38  -7.211   3.062  -8.790
  300    H    ALA  39           HN       ALA  39 -10.333   5.870  -7.118
  301    HA   ALA  39           HA       ALA  39 -11.460   5.717  -9.857
  302   1HB   ALA  39           HB3      ALA  39 -12.193   3.687  -8.480
  303   2HB   ALA  39           HB2      ALA  39 -13.075   4.824  -7.460
  304   3HB   ALA  39           HB1      ALA  39 -13.491   4.664  -9.167
  305    H    ARG  40           HN       ARG  40 -12.277   6.665  -6.499
  306    HA   ARG  40           HA       ARG  40 -13.756   9.004  -7.484
  307   1HB   ARG  40           HB2      ARG  40 -14.050   7.469  -5.269
  308   2HB   ARG  40           HB1      ARG  40 -13.074   8.778  -4.603
  309   1HG   ARG  40           HG2      ARG  40 -15.666   9.117  -6.140
  310   2HG   ARG  40           HG1      ARG  40 -15.474   9.292  -4.395
  311   1HD   ARG  40           HD2      ARG  40 -13.490  10.939  -5.420
  312   2HD   ARG  40           HD1      ARG  40 -14.836  11.186  -6.532
  313    HE   ARG  40           HE       ARG  40 -16.008  11.358  -4.027
  314   1HH1  ARG  40           HH21     ARG  40 -13.339  12.834  -5.648
  315   2HH1  ARG  40           HH22     ARG  40 -13.477  14.329  -4.785
  316   1HH2  ARG  40           HH12     ARG  40 -16.197  13.305  -2.897
  317   2HH2  ARG  40           HH11     ARG  40 -15.091  14.596  -3.231
  318    H    ILE  41           HN       ILE  41 -11.668   9.784  -8.581
  319    HA   ILE  41           HA       ILE  41  -9.899  11.186  -6.623
  320    HB   ILE  41           HB       ILE  41  -9.445  10.520  -9.547
  321   1HG1  ILE  41           HG12     ILE  41  -7.534   9.450  -7.671
  322   2HG1  ILE  41           HG11     ILE  41  -9.162   8.965  -7.200
  323   1HG2  ILE  41           HG21     ILE  41  -8.413  12.673  -8.645
  324   2HG2  ILE  41           HG23     ILE  41  -7.470  11.651  -7.560
  325   3HG2  ILE  41           HG22     ILE  41  -7.281  11.493  -9.307
  326   1HD1  ILE  41           HD11     ILE  41  -9.158   8.655  -9.968
  327   2HD1  ILE  41           HD13     ILE  41  -7.560   8.089  -9.479
  328   3HD1  ILE  41           HD12     ILE  41  -9.006   7.360  -8.782
  329    H    SER  42           HN       SER  42  -9.779  13.414  -6.668
  330    HA   SER  42           HA       SER  42 -11.770  14.816  -8.337
  331   1HB   SER  42           HB2      SER  42  -9.913  15.754  -6.130
  332   2HB   SER  42           HB1      SER  42 -11.008  16.822  -7.002
  333    HG   SER  42           HG       SER  42 -12.387  16.183  -5.545
  334    H    LEU  43           HN       LEU  43  -8.292  15.277  -7.599
  335    HA   LEU  43           HA       LEU  43  -7.954  16.199 -10.425
  336   1HB   LEU  43           HB2      LEU  43  -5.972  17.540  -9.348
  337   2HB   LEU  43           HB1      LEU  43  -7.612  18.179  -9.228
  338    HG   LEU  43           HG       LEU  43  -7.814  17.016  -6.999
  339   1HD1  LEU  43           HD13     LEU  43  -5.171  16.083  -7.847
  340   2HD1  LEU  43           HD12     LEU  43  -5.156  16.781  -6.227
  341   3HD1  LEU  43           HD11     LEU  43  -6.240  15.441  -6.599
  342   1HD2  LEU  43           HD21     LEU  43  -5.851  19.215  -7.576
  343   2HD2  LEU  43           HD23     LEU  43  -7.413  19.301  -6.761
  344   3HD2  LEU  43           HD22     LEU  43  -6.017  18.627  -5.920
  345    H    GLY  44           HN       GLY  44  -7.122  13.902  -8.113
  346   1HA   GLY  44           HA2      GLY  44  -5.688  12.033  -8.441
  347   2HA   GLY  44           HA1      GLY  44  -5.001  12.840  -9.850
  348    HA   PRO  45           HA       PRO  45  -3.041  14.854  -5.710
  349   1HB   PRO  45           HB2      PRO  45  -3.055  12.532  -3.996
  350   2HB   PRO  45           HB1      PRO  45  -3.731  14.134  -3.683
  351   1HG   PRO  45           HG2      PRO  45  -5.131  11.707  -4.284
  352   2HG   PRO  45           HG1      PRO  45  -5.804  13.301  -3.932
  353   1HD   PRO  45           HD2      PRO  45  -5.861  11.958  -6.406
  354   2HD   PRO  45           HD1      PRO  45  -6.309  13.640  -6.105
  355    H    ARG  46           HN       ARG  46  -2.598  11.315  -5.489
  356    HA   ARG  46           HA       ARG  46  -0.384  11.131  -7.261
  357   1HB   ARG  46           HB2      ARG  46   0.413  12.675  -5.233
  358   2HB   ARG  46           HB1      ARG  46   0.679  11.108  -4.469
  359   1HG   ARG  46           HG2      ARG  46   2.487  10.681  -5.754
  360   2HG   ARG  46           HG1      ARG  46   1.644  11.167  -7.225
  361   1HD   ARG  46           HD2      ARG  46   1.977  13.588  -6.040
  362   2HD   ARG  46           HD1      ARG  46   3.412  12.750  -5.450
  363    HE   ARG  46           HE       ARG  46   3.395  12.193  -8.161
  364   1HH1  ARG  46           HH21     ARG  46   3.225  15.028  -6.196
  365   2HH1  ARG  46           HH22     ARG  46   4.018  16.037  -7.359
  366   1HH2  ARG  46           HH12     ARG  46   4.431  13.499  -9.683
  367   2HH2  ARG  46           HH11     ARG  46   4.701  15.174  -9.330
  368    H    CYS  47           HN       CYS  47  -1.521   9.994  -4.051
  369    HA   CYS  47           HA       CYS  47  -0.475   7.371  -4.365
  370   1HB   CYS  47           HB2      CYS  47  -2.995   7.941  -2.795
  371   2HB   CYS  47           HB1      CYS  47  -1.821   6.688  -2.496
  372    H    ILE  48           HN       ILE  48  -3.456   8.820  -5.553
  373    HA   ILE  48           HA       ILE  48  -4.663   6.316  -6.148
  374    HB   ILE  48           HB       ILE  48  -6.206   7.519  -7.523
  375   1HG1  ILE  48           HG12     ILE  48  -4.447   8.754  -8.874
  376   2HG1  ILE  48           HG11     ILE  48  -5.851   9.713  -8.438
  377   1HG2  ILE  48           HG22     ILE  48  -5.247   8.782  -5.038
  378   2HG2  ILE  48           HG21     ILE  48  -6.276   9.800  -6.047
  379   3HG2  ILE  48           HG23     ILE  48  -6.866   8.239  -5.477
  380   1HD1  ILE  48           HD12     ILE  48  -4.562  10.526  -6.418
  381   2HD1  ILE  48           HD11     ILE  48  -3.133   9.763  -7.113
  382   3HD1  ILE  48           HD13     ILE  48  -3.938  11.073  -7.974
  383    H    LYS  49           HN       LYS  49  -2.713   8.457  -8.322
  384    HA   LYS  49           HA       LYS  49  -2.716   6.599 -10.482
  385   1HB   LYS  49           HB2      LYS  49  -0.591   8.626  -9.726
  386   2HB   LYS  49           HB1      LYS  49  -0.793   7.876 -11.306
  387   1HG   LYS  49           HG2      LYS  49  -3.266   8.808 -11.060
  388   2HG   LYS  49           HG1      LYS  49  -2.479   9.951  -9.970
  389   1HD   LYS  49           HD2      LYS  49  -0.746  10.209 -11.921
  390   2HD   LYS  49           HD1      LYS  49  -2.041   9.543 -12.916
  391   1HE   LYS  49           HE2      LYS  49  -2.761  11.692 -13.059
  392   2HE   LYS  49           HE1      LYS  49  -3.389  11.422 -11.434
  393   1HZ   LYS  49           HZ1      LYS  49  -0.869  12.030 -10.879
  394   2HZ   LYS  49           HZ3      LYS  49  -1.064  12.937 -12.299
  395   3HZ   LYS  49           HZ2      LYS  49  -2.103  13.194 -10.977
  396    H    ALA  50           HN       ALA  50   0.001   7.293  -8.242
  397    HA   ALA  50           HA       ALA  50   1.628   5.094  -8.917
  398   1HB   ALA  50           HB2      ALA  50   2.305   6.860  -7.296
  399   2HB   ALA  50           HB1      ALA  50   1.162   6.191  -6.131
  400   3HB   ALA  50           HB3      ALA  50   2.548   5.236  -6.650
  401    H    PHE  51           HN       PHE  51  -0.486   5.288  -6.137
  402    HA   PHE  51           HA       PHE  51  -0.289   2.536  -5.630
  403   1HB   PHE  51           HB2      PHE  51  -1.175   3.144  -3.724
  404   2HB   PHE  51           HB1      PHE  51  -1.237   4.774  -4.292
  405    HD1  PHE  51           HD1      PHE  51  -3.527   4.385  -6.304
  406    HD2  PHE  51           HD2      PHE  51  -2.991   3.114  -2.264
  407    HE1  PHE  51           HE1      PHE  51  -5.979   4.278  -6.012
  408    HE2  PHE  51           HE2      PHE  51  -5.435   3.021  -1.964
  409    HZ   PHE  51           HZ       PHE  51  -6.935   3.594  -3.845
  410    H    THR  52           HN       THR  52  -2.080   4.044  -8.090
  411    HA   THR  52           HA       THR  52  -4.339   2.160  -8.033
  412    HB   THR  52           HB       THR  52  -3.461   4.339  -9.917
  413    HG1  THR  52           HG1      THR  52  -5.463   3.813  -8.153
  414   1HG2  THR  52           HG21     THR  52  -5.460   2.163 -10.600
  415   2HG2  THR  52           HG23     THR  52  -5.208   3.641 -11.530
  416   3HG2  THR  52           HG22     THR  52  -3.919   2.443 -11.410
  417    H    GLU  53           HN       GLU  53  -1.357   2.650  -9.917
  418    HA   GLU  53           HA       GLU  53  -1.777   0.156 -11.399
  419   1HB   GLU  53           HB2      GLU  53  -0.046   2.378 -11.614
  420   2HB   GLU  53           HB1      GLU  53   0.995   0.994 -11.287
  421   1HG   GLU  53           HG2      GLU  53   0.782   0.398 -13.449
  422   2HG   GLU  53           HG1      GLU  53  -0.925   0.081 -13.139
  423    H    CYS  54           HN       CYS  54  -0.335   1.155  -8.409
  424    HA   CYS  54           HA       CYS  54   1.163  -1.315  -7.977
  425   1HB   CYS  54           HB2      CYS  54   2.085   0.554  -6.930
  426   2HB   CYS  54           HB1      CYS  54   0.523   1.149  -6.363
  427    H    CYS  55           HN       CYS  55  -1.988  -0.032  -7.024
  428    HA   CYS  55           HA       CYS  55  -2.534  -2.275  -5.229
  429   1HB   CYS  55           HB2      CYS  55  -3.579  -0.039  -4.838
  430   2HB   CYS  55           HB1      CYS  55  -4.493  -0.211  -6.329
  431    H    VAL  56           HN       VAL  56  -3.272  -1.342  -8.541
  432    HA   VAL  56           HA       VAL  56  -5.109  -3.513  -9.047
  433    HB   VAL  56           HB       VAL  56  -4.773  -2.975 -11.422
  434   1HG1  VAL  56           HG13     VAL  56  -5.293  -0.908  -9.372
  435   2HG1  VAL  56           HG12     VAL  56  -4.928  -0.286 -10.981
  436   3HG1  VAL  56           HG11     VAL  56  -6.277  -1.399 -10.751
  437   1HG2  VAL  56           HG22     VAL  56  -2.446  -1.388 -10.322
  438   2HG2  VAL  56           HG21     VAL  56  -2.418  -2.634 -11.570
  439   3HG2  VAL  56           HG23     VAL  56  -3.136  -1.060 -11.911
  440    H    VAL  57           HN       VAL  57  -1.614  -3.009  -9.692
  441    HA   VAL  57           HA       VAL  57  -1.165  -5.602 -10.803
  442    HB   VAL  57           HB       VAL  57   0.593  -3.956 -10.967
  443   1HG1  VAL  57           HG13     VAL  57  -0.189  -3.105  -8.516
  444   2HG1  VAL  57           HG12     VAL  57   1.255  -4.014  -8.072
  445   3HG1  VAL  57           HG11     VAL  57   1.368  -2.685  -9.226
  446   1HG2  VAL  57           HG22     VAL  57   0.990  -6.562 -10.076
  447   2HG2  VAL  57           HG21     VAL  57   2.233  -5.503 -10.743
  448   3HG2  VAL  57           HG23     VAL  57   2.002  -5.601  -8.998
  449    H    ALA  58           HN       ALA  58  -0.832  -4.451  -7.425
  450    HA   ALA  58           HA       ALA  58  -0.071  -6.833  -6.190
  451   1HB   ALA  58           HB2      ALA  58  -1.791  -4.538  -5.305
  452   2HB   ALA  58           HB1      ALA  58  -1.601  -5.941  -4.252
  453   3HB   ALA  58           HB3      ALA  58  -0.187  -5.007  -4.741
  454    H    SER  59           HN       SER  59  -3.463  -5.749  -6.506
  455    HA   SER  59           HA       SER  59  -4.589  -8.258  -5.702
  456   1HB   SER  59           HB2      SER  59  -6.236  -6.798  -7.617
  457   2HB   SER  59           HB1      SER  59  -6.549  -7.154  -5.919
  458    HG   SER  59           HG       SER  59  -6.163  -5.102  -5.662
  459    H    GLN  60           HN       GLN  60  -4.788  -6.839  -8.939
  460    HA   GLN  60           HA       GLN  60  -5.614  -8.774 -10.555
  461   1HB   GLN  60           HB2      GLN  60  -3.130  -7.104 -10.968
  462   2HB   GLN  60           HB1      GLN  60  -3.799  -8.131 -12.236
  463   1HG   GLN  60           HG2      GLN  60  -5.617  -6.229 -10.795
  464   2HG   GLN  60           HG1      GLN  60  -4.548  -5.606 -12.052
  465   1HE2  GLN  60           HE22     GLN  60  -7.910  -7.420 -13.176
  466   2HE2  GLN  60           HE21     GLN  60  -7.627  -6.819 -11.614
  467    H    LEU  61           HN       LEU  61  -2.107  -8.793  -9.665
  468    HA   LEU  61           HA       LEU  61  -1.813 -11.482 -10.697
  469   1HB   LEU  61           HB2      LEU  61  -0.037 -10.533  -8.505
  470   2HB   LEU  61           HB1      LEU  61   0.353 -11.478  -9.931
  471    HG   LEU  61           HG       LEU  61   0.281  -8.575  -9.540
  472   1HD1  LEU  61           HD11     LEU  61   2.006 -10.634 -10.565
  473   2HD1  LEU  61           HD13     LEU  61   1.828  -9.347 -11.757
  474   3HD1  LEU  61           HD12     LEU  61   2.402  -8.971 -10.134
  475   1HD2  LEU  61           HD23     LEU  61  -1.099  -9.893 -11.807
  476   2HD2  LEU  61           HD22     LEU  61  -1.259  -8.240 -11.215
  477   3HD2  LEU  61           HD21     LEU  61   0.081  -8.671 -12.275
  478    H    ARG  62           HN       ARG  62  -2.039 -10.201  -7.379
  479    HA   ARG  62           HA       ARG  62  -1.921 -12.408  -5.821
  480   1HB   ARG  62           HB2      ARG  62  -3.310  -9.934  -5.622
  481   2HB   ARG  62           HB1      ARG  62  -4.444 -11.195  -5.138
  482   1HG   ARG  62           HG2      ARG  62  -2.931 -12.032  -3.469
  483   2HG   ARG  62           HG1      ARG  62  -1.619 -11.015  -4.069
  484   1HD   ARG  62           HD2      ARG  62  -3.685  -9.220  -3.555
  485   2HD   ARG  62           HD1      ARG  62  -3.772 -10.354  -2.209
  486    HE   ARG  62           HE       ARG  62  -1.842  -8.304  -2.480
  487   1HH1  ARG  62           HH21     ARG  62  -1.959 -11.712  -1.869
  488   2HH1  ARG  62           HH22     ARG  62  -0.357 -11.769  -1.223
  489   1HH2  ARG  62           HH12     ARG  62   0.228  -8.381  -1.617
  490   2HH2  ARG  62           HH11     ARG  62   0.873  -9.894  -1.069
  491    H    ALA  63           HN       ALA  63  -4.602 -11.711  -8.033
  492    HA   ALA  63           HA       ALA  63  -6.225 -13.965  -7.308
  493   1HB   ALA  63           HB1      ALA  63  -6.173 -11.975  -9.406
  494   2HB   ALA  63           HB3      ALA  63  -6.442 -13.569 -10.112
  495   3HB   ALA  63           HB2      ALA  63  -7.529 -12.963  -8.863
  496    H    ASN  64           HN       ASN  64  -3.946 -13.563 -10.041
  497    HA   ASN  64           HA       ASN  64  -3.166 -16.424  -9.681
  498   1HB   ASN  64           HB2      ASN  64  -4.428 -15.165 -12.030
  499   2HB   ASN  64           HB1      ASN  64  -2.973 -16.091 -12.401
  500   1HD2  ASN  64           HD22     ASN  64  -6.314 -18.127 -11.865
  501   2HD2  ASN  64           HD21     ASN  64  -6.216 -16.501 -12.344
  502    H    ILE  65           HN       ILE  65  -1.473 -14.729  -8.579
  503    HA   ILE  65           HA       ILE  65   0.339 -13.294 -10.255
  504    HB   ILE  65           HB       ILE  65   1.729 -14.581  -8.019
  505   1HG1  ILE  65           HG12     ILE  65  -0.863 -13.117  -7.496
  506   2HG1  ILE  65           HG11     ILE  65  -0.451 -14.753  -6.986
  507   1HG2  ILE  65           HG23     ILE  65   1.870 -12.205  -9.388
  508   2HG2  ILE  65           HG22     ILE  65   1.055 -11.710  -7.906
  509   3HG2  ILE  65           HG21     ILE  65   2.625 -12.490  -7.823
  510   1HD1  ILE  65           HD11     ILE  65   1.631 -13.177  -5.992
  511   2HD1  ILE  65           HD13     ILE  65   0.181 -12.212  -5.709
  512   3HD1  ILE  65           HD12     ILE  65   0.293 -13.848  -5.058
  513    H    SER  66           HN       SER  66   1.175 -14.285 -12.044
  514    HA   SER  66           HA       SER  66   3.229 -16.266 -11.757
  515   1HB   SER  66           HB2      SER  66   1.173 -17.688 -11.380
  516   2HB   SER  66           HB1      SER  66   0.673 -17.294 -13.022
  517    HG   SER  66           HG       SER  66   2.350 -18.416 -13.814
  518    H    HIS  67           HN       HIS  67   0.710 -15.807 -14.261
  519    HA   HIS  67           HA       HIS  67   2.898 -15.132 -16.168
  520   1HB   HIS  67           HB2      HIS  67   0.731 -16.852 -16.405
  521   2HB   HIS  67           HB1      HIS  67   0.204 -15.416 -17.284
  522    HD1  HIS  67           HD1      HIS  67   0.685 -15.848 -19.696
  523    HD2  HIS  67           HD2      HIS  67   3.828 -17.093 -17.257
  524    HE1  HIS  67           HE1      HIS  67   2.529 -16.626 -21.247
  525    H    LYS  68           HN       LYS  68   2.585 -13.013 -14.628
  526    HA   LYS  68           HA       LYS  68   1.687 -10.938 -16.357
  527   1HB   LYS  68           HB2      LYS  68  -0.285 -10.178 -14.924
  528   2HB   LYS  68           HB1      LYS  68  -0.572 -11.599 -15.929
  529   1HG   LYS  68           HG2      LYS  68   0.346 -12.837 -13.729
  530   2HG   LYS  68           HG1      LYS  68  -0.319 -11.391 -12.967
  531   1HD   LYS  68           HD2      LYS  68  -1.959 -12.858 -15.009
  532   2HD   LYS  68           HD1      LYS  68  -1.867 -13.486 -13.363
  533   1HE   LYS  68           HE2      LYS  68  -3.794 -11.956 -13.633
  534   2HE   LYS  68           HE1      LYS  68  -2.624 -11.317 -12.480
  535   1HZ   LYS  68           HZ1      LYS  68  -2.297 -10.582 -15.288
  536   2HZ   LYS  68           HZ3      LYS  68  -3.579  -9.864 -14.440
  537   3HZ   LYS  68           HZ2      LYS  68  -1.985  -9.676 -13.884
  538    H    ASP  69           HN       ASP  69   2.794  -9.157 -15.705
  539    HA   ASP  69           HA       ASP  69   3.246  -8.714 -12.805
  540   1HB   ASP  69           HB2      ASP  69   5.231  -9.947 -13.580
  541   2HB   ASP  69           HB1      ASP  69   5.461  -8.774 -14.878
  542    H    MET  70           HN       MET  70   2.442  -6.689 -12.511
  543    HA   MET  70           HA       MET  70   2.949  -4.675 -14.663
  544   1HB   MET  70           HB2      MET  70   0.521  -5.479 -13.458
  545   2HB   MET  70           HB1      MET  70   0.878  -3.875 -12.818
  546   1HG   MET  70           HG2      MET  70  -0.003  -3.093 -14.753
  547   2HG   MET  70           HG1      MET  70   1.514  -3.605 -15.493
  548   1HE   MET  70           HE1      MET  70  -1.810  -3.459 -15.284
  549   2HE   MET  70           HE3      MET  70  -2.150  -4.067 -16.910
  550   3HE   MET  70           HE2      MET  70  -2.607  -5.017 -15.498
  551    H    CYS  71           HN       CYS  71   2.099  -2.472 -13.000
  552    HA   CYS  71           HA       CYS  71   4.499  -1.577 -11.909
  553   1HB   CYS  71           HB2      CYS  71   1.624  -0.906 -11.443
  554   2HB   CYS  71           HB1      CYS  71   2.813  -0.225 -10.327
  555   1H    CYS  72           HN3      CYS  72   3.675   4.062 -12.050
  556   2H    CYS  72           HN2      CYS  72   2.332   3.022 -12.009
  557   3H    CYS  72           HN1      CYS  72   2.163   4.651 -11.557
  558    HA   CYS  72           HA       CYS  72   2.206   3.411  -9.559
  559   1HB   CYS  72           HB2      CYS  72   4.599   2.173  -9.314
  560   2HB   CYS  72           HB1      CYS  72   3.109   1.368  -9.773
  561    H    LEU  73           HN       LEU  73   5.630   3.608 -10.314
  562    HA   LEU  73           HA       LEU  73   6.490   5.061  -8.176
  563   1HB   LEU  73           HB2      LEU  73   8.087   4.232  -9.761
  564   2HB   LEU  73           HB1      LEU  73   7.413   5.216 -11.054
  565    HG   LEU  73           HG       LEU  73   9.602   6.026  -9.977
  566   1HD1  LEU  73           HD13     LEU  73   7.618   7.358 -11.235
  567   2HD1  LEU  73           HD12     LEU  73   7.610   8.207  -9.690
  568   3HD1  LEU  73           HD11     LEU  73   9.085   8.145 -10.654
  569   1HD2  LEU  73           HD21     LEU  73   8.053   5.774  -7.642
  570   2HD2  LEU  73           HD23     LEU  73   9.653   6.499  -7.780
  571   3HD2  LEU  73           HD22     LEU  73   8.216   7.507  -7.912
  572    H    GLY  74           HN       GLY  74   6.444   7.202  -7.487
  573   1HA   GLY  74           HA2      GLY  74   5.218   9.215  -9.319
  574   2HA   GLY  74           HA1      GLY  74   4.602   9.034  -7.679
  575   1HN   DAR  75           HN       ARG  75   5.347  11.457  -7.860
  576    HA   DAR  75           HA       ARG  75   6.903  13.122  -7.269
  577   1HB   DAR  75           HB1      ARG  75   8.346  11.835  -8.974
  578   2HB   DAR  75           HB2      ARG  75   9.080  11.049  -7.578
  579   1HG   DAR  75           HG1      ARG  75   8.861  14.010  -7.454
  580   2HG   DAR  75           HG2      ARG  75  10.014  13.363  -8.621
  581   1HD   DAR  75           HD1      ARG  75  10.369  11.836  -6.276
  582   2HD   DAR  75           HD2      ARG  75  10.222  13.507  -5.740
  583    HNE  DAR  75           HE       ARG  75  12.402  13.792  -6.489
  584   1HH1  DAR  75           HH11     ARG  75  14.010  13.793  -8.052
  585   2HH1  DAR  75           HH12     ARG  75  13.838  12.801  -9.461
  586   1HH2  DAR  75           HH21     ARG  75  10.784  11.489  -8.512
  587   2HH2  DAR  75           HH22     ARG  75  12.015  11.515  -9.724
   
  No H/Q in entry =         587
  Start of MODEL   12
    1   1H    MET   1           HN3      MET   1  13.852 -17.544  -1.065
    2   2H    MET   1           HN2      MET   1  14.292 -18.714  -2.216
    3   3H    MET   1           HN1      MET   1  15.479 -17.992  -1.237
    4    HA   MET   1           HA       MET   1  15.648 -16.978  -3.354
    5   1HB   MET   1           HB2      MET   1  12.814 -17.429  -3.341
    6   2HB   MET   1           HB1      MET   1  13.112 -15.714  -3.630
    7   1HG   MET   1           HG2      MET   1  14.938 -17.466  -5.114
    8   2HG   MET   1           HG1      MET   1  13.245 -17.698  -5.551
    9   1HE   MET   1           HE1      MET   1  13.678 -17.252  -7.658
   10   2HE   MET   1           HE3      MET   1  12.403 -16.031  -7.777
   11   3HE   MET   1           HE2      MET   1  13.996 -15.716  -8.459
   12    H    LEU   2           HN       LEU   2  15.447 -14.509  -3.754
   13    HA   LEU   2           HA       LEU   2  15.049 -13.057  -1.177
   14   1HB   LEU   2           HB2      LEU   2  17.456 -12.878  -3.014
   15   2HB   LEU   2           HB1      LEU   2  17.126 -11.739  -1.707
   16    HG   LEU   2           HG       LEU   2  16.943 -14.524  -0.831
   17   1HD1  LEU   2           HD11     LEU   2  18.967 -14.056  -2.689
   18   2HD1  LEU   2           HD13     LEU   2  19.770 -13.851  -1.132
   19   3HD1  LEU   2           HD12     LEU   2  18.933 -15.359  -1.501
   20   1HD2  LEU   2           HD21     LEU   2  17.353 -12.066   0.302
   21   2HD2  LEU   2           HD23     LEU   2  17.730 -13.594   1.098
   22   3HD2  LEU   2           HD22     LEU   2  18.998 -12.699   0.260
   23    H    GLN   3           HN       GLN   3  13.009 -12.690  -2.615
   24    HA   GLN   3           HA       GLN   3  13.347 -10.061  -3.900
   25   1HB   GLN   3           HB2      GLN   3  13.521 -12.177  -5.572
   26   2HB   GLN   3           HB1      GLN   3  11.767 -11.987  -5.525
   27   1HG   GLN   3           HG2      GLN   3  12.357  -9.429  -5.871
   28   2HG   GLN   3           HG1      GLN   3  13.851 -10.087  -6.537
   29   1HE2  GLN   3           HE22     GLN   3  11.031  -9.867  -9.135
   30   2HE2  GLN   3           HE21     GLN   3  11.520  -8.749  -7.957
   31    H    LYS   4           HN       LYS   4  11.912  -9.083  -2.489
   32    HA   LYS   4           HA       LYS   4   9.502 -10.322  -1.532
   33   1HB   LYS   4           HB2      LYS   4  10.777  -7.670  -1.375
   34   2HB   LYS   4           HB1      LYS   4   9.014  -7.624  -1.336
   35   1HG   LYS   4           HG2      LYS   4   9.394  -7.975   0.906
   36   2HG   LYS   4           HG1      LYS   4   9.392  -9.655   0.370
   37   1HD   LYS   4           HD2      LYS   4  11.383  -9.568   1.577
   38   2HD   LYS   4           HD1      LYS   4  11.954  -9.219  -0.054
   39   1HE   LYS   4           HE2      LYS   4  11.656  -6.754   0.493
   40   2HE   LYS   4           HE1      LYS   4  11.405  -7.241   2.169
   41   1HZ   LYS   4           HZ2      LYS   4  13.795  -7.955   0.560
   42   2HZ   LYS   4           HZ1      LYS   4  13.730  -6.651   1.647
   43   3HZ   LYS   4           HZ3      LYS   4  13.561  -8.238   2.219
   44    H    LYS   5           HN       LYS   5   7.341 -10.005  -2.233
   45    HA   LYS   5           HA       LYS   5   7.038  -9.615  -5.095
   46   1HB   LYS   5           HB2      LYS   5   4.587  -9.925  -4.563
   47   2HB   LYS   5           HB1      LYS   5   5.626 -11.235  -4.002
   48   1HG   LYS   5           HG2      LYS   5   5.515  -9.215  -1.967
   49   2HG   LYS   5           HG1      LYS   5   3.869  -9.627  -2.449
   50   1HD   LYS   5           HD2      LYS   5   4.587 -12.080  -2.249
   51   2HD   LYS   5           HD1      LYS   5   6.026 -11.481  -1.423
   52   1HE   LYS   5           HE2      LYS   5   4.017 -10.110  -0.137
   53   2HE   LYS   5           HE1      LYS   5   3.252 -11.666  -0.458
   54   1HZ   LYS   5           HZ3      LYS   5   5.989 -11.691   0.559
   55   2HZ   LYS   5           HZ2      LYS   5   4.757 -11.263   1.649
   56   3HZ   LYS   5           HZ1      LYS   5   4.712 -12.767   0.857
   57    H    ILE   6           HN       ILE   6   4.290  -8.201  -3.911
   58    HA   ILE   6           HA       ILE   6   4.949  -5.631  -4.980
   59    HB   ILE   6           HB       ILE   6   2.666  -6.612  -3.266
   60   1HG1  ILE   6           HG12     ILE   6   2.905  -7.281  -5.710
   61   2HG1  ILE   6           HG11     ILE   6   1.411  -6.430  -5.316
   62   1HG2  ILE   6           HG21     ILE   6   3.313  -3.838  -4.262
   63   2HG2  ILE   6           HG23     ILE   6   1.645  -4.344  -3.992
   64   3HG2  ILE   6           HG22     ILE   6   2.792  -4.332  -2.651
   65   1HD1  ILE   6           HD12     ILE   6   3.753  -4.771  -6.132
   66   2HD1  ILE   6           HD11     ILE   6   2.944  -5.701  -7.392
   67   3HD1  ILE   6           HD13     ILE   6   2.037  -4.521  -6.447
   68    H    GLU   7           HN       GLU   7   5.786  -7.054  -2.025
   69    HA   GLU   7           HA       GLU   7   5.612  -4.911  -0.187
   70   1HB   GLU   7           HB2      GLU   7   6.604  -7.445  -0.064
   71   2HB   GLU   7           HB1      GLU   7   8.101  -6.512  -0.059
   72   1HG   GLU   7           HG2      GLU   7   7.770  -5.918   2.082
   73   2HG   GLU   7           HG1      GLU   7   6.192  -5.239   1.675
   74    H    GLU   8           HN       GLU   8   8.760  -5.812  -1.650
   75    HA   GLU   8           HA       GLU   8   9.649  -3.037  -1.432
   76   1HB   GLU   8           HB2      GLU   8  11.754  -3.839  -2.313
   77   2HB   GLU   8           HB1      GLU   8  11.167  -5.068  -1.193
   78   1HG   GLU   8           HG2      GLU   8  10.261  -6.374  -3.064
   79   2HG   GLU   8           HG1      GLU   8  10.790  -5.133  -4.201
   80    H    ILE   9           HN       ILE   9   8.434  -5.177  -3.966
   81    HA   ILE   9           HA       ILE   9   9.050  -3.649  -6.255
   82    HB   ILE   9           HB       ILE   9   6.604  -5.263  -5.503
   83   1HG1  ILE   9           HG12     ILE   9   8.930  -5.628  -7.411
   84   2HG1  ILE   9           HG11     ILE   9   8.567  -6.582  -5.973
   85   1HG2  ILE   9           HG21     ILE   9   7.152  -3.769  -8.082
   86   2HG2  ILE   9           HG23     ILE   9   5.935  -5.034  -7.919
   87   3HG2  ILE   9           HG22     ILE   9   5.781  -3.540  -6.996
   88   1HD1  ILE   9           HD13     ILE   9   6.329  -7.139  -7.132
   89   2HD1  ILE   9           HD12     ILE   9   7.083  -6.521  -8.601
   90   3HD1  ILE   9           HD11     ILE   9   7.781  -7.911  -7.770
   91    H    ALA  10           HN       ALA  10   6.847  -3.166  -3.617
   92    HA   ALA  10           HA       ALA  10   5.638  -0.739  -4.780
   93   1HB   ALA  10           HB3      ALA  10   5.388  -2.156  -2.110
   94   2HB   ALA  10           HB2      ALA  10   4.641  -0.587  -2.416
   95   3HB   ALA  10           HB1      ALA  10   4.157  -1.994  -3.364
   96    H    ALA  11           HN       ALA  11   8.039  -1.766  -2.414
   97    HA   ALA  11           HA       ALA  11   8.675   0.597  -1.106
   98   1HB   ALA  11           HB3      ALA  11  10.524  -1.528  -2.199
   99   2HB   ALA  11           HB2      ALA  11  11.069  -0.221  -1.145
  100   3HB   ALA  11           HB1      ALA  11   9.893  -1.397  -0.557
  101    H    LYS  12           HN       LYS  12   9.123  -0.261  -4.445
  102    HA   LYS  12           HA       LYS  12  10.992   1.906  -5.042
  103   1HB   LYS  12           HB2      LYS  12  10.192  -0.438  -6.320
  104   2HB   LYS  12           HB1      LYS  12   9.542   0.850  -7.336
  105   1HG   LYS  12           HG2      LYS  12  11.761   0.436  -8.129
  106   2HG   LYS  12           HG1      LYS  12  11.841   1.939  -7.211
  107   1HD   LYS  12           HD2      LYS  12  13.620   0.862  -6.232
  108   2HD   LYS  12           HD1      LYS  12  12.335   0.214  -5.212
  109   1HE   LYS  12           HE2      LYS  12  13.745  -1.619  -5.996
  110   2HE   LYS  12           HE1      LYS  12  12.152  -1.745  -6.743
  111   1HZ   LYS  12           HZ1      LYS  12  14.450  -0.392  -8.037
  112   2HZ   LYS  12           HZ3      LYS  12  14.082  -2.028  -8.284
  113   3HZ   LYS  12           HZ2      LYS  12  12.970  -0.830  -8.747
  114    H    TYR  13           HN       TYR  13   8.262   2.602  -3.871
  115    HA   TYR  13           HA       TYR  13   7.303   4.333  -6.110
  116   1HB   TYR  13           HB2      TYR  13   5.871   3.221  -3.671
  117   2HB   TYR  13           HB1      TYR  13   5.203   4.533  -4.629
  118    HD1  TYR  13           HD1      TYR  13   7.040   1.432  -5.495
  119    HD2  TYR  13           HD2      TYR  13   3.427   3.717  -6.034
  120    HE1  TYR  13           HE1      TYR  13   6.238  -0.221  -7.148
  121    HE2  TYR  13           HE2      TYR  13   2.665   2.083  -7.690
  122    HH   TYR  13           HH       TYR  13   4.712  -0.552  -8.807
  123    H    LYS  14           HN       LYS  14   8.902   5.898  -5.756
  124    HA   LYS  14           HA       LYS  14  10.262   7.270  -4.201
  125   1HB   LYS  14           HB2      LYS  14   8.137   8.304  -5.793
  126   2HB   LYS  14           HB1      LYS  14   8.246   9.272  -4.324
  127   1HG   LYS  14           HG2      LYS  14   9.741  10.191  -6.034
  128   2HG   LYS  14           HG1      LYS  14  10.689   9.529  -4.701
  129   1HD   LYS  14           HD2      LYS  14  10.535   7.322  -6.221
  130   2HD   LYS  14           HD1      LYS  14  10.397   8.535  -7.494
  131   1HE   LYS  14           HE2      LYS  14  12.436   9.634  -6.183
  132   2HE   LYS  14           HE1      LYS  14  12.685   7.970  -5.654
  133   1HZ   LYS  14           HZ1      LYS  14  12.352   7.485  -8.178
  134   2HZ   LYS  14           HZ3      LYS  14  12.826   9.104  -8.356
  135   3HZ   LYS  14           HZ2      LYS  14  13.864   7.995  -7.594
  136    H    HIS  15           HN       HIS  15  10.575   7.243  -2.070
  137    HA   HIS  15           HA       HIS  15   8.582   6.780  -0.098
  138   1HB   HIS  15           HB2      HIS  15  10.404   7.903   1.435
  139   2HB   HIS  15           HB1      HIS  15  10.729   6.344   0.679
  140    HD1  HIS  15           HD1      HIS  15  13.235   6.598   0.336
  141    HD2  HIS  15           HD2      HIS  15  11.075   9.782  -1.276
  142    HE1  HIS  15           HE1      HIS  15  14.877   7.963  -1.023
  143    H    SER  16           HN       SER  16   9.313   9.645  -1.841
  144    HA   SER  16           HA       SER  16   8.792  11.716  -0.049
  145   1HB   SER  16           HB2      SER  16   9.239  11.839  -2.589
  146   2HB   SER  16           HB1      SER  16   7.500  11.642  -2.776
  147    HG   SER  16           HG       SER  16   8.635  13.869  -2.466
  148    H    VAL  17           HN       VAL  17   6.385   9.824  -1.857
  149    HA   VAL  17           HA       VAL  17   4.520   9.840   0.356
  150    HB   VAL  17           HB       VAL  17   4.352  12.202  -0.672
  151   1HG1  VAL  17           HG11     VAL  17   4.471  11.458  -3.035
  152   2HG1  VAL  17           HG13     VAL  17   2.934  10.614  -2.833
  153   3HG1  VAL  17           HG12     VAL  17   2.998  12.372  -2.711
  154   1HG2  VAL  17           HG21     VAL  17   2.037  10.297  -0.330
  155   2HG2  VAL  17           HG23     VAL  17   2.608  11.542   0.780
  156   3HG2  VAL  17           HG22     VAL  17   1.767  12.000  -0.701
  157    H    VAL  18           HN       VAL  18   4.821   9.633  -3.177
  158    HA   VAL  18           HA       VAL  18   2.764   7.876  -3.822
  159    HB   VAL  18           HB       VAL  18   4.144   8.701  -5.581
  160   1HG1  VAL  18           HG13     VAL  18   6.174   8.474  -3.732
  161   2HG1  VAL  18           HG12     VAL  18   6.586   7.218  -4.892
  162   3HG1  VAL  18           HG11     VAL  18   6.402   8.884  -5.427
  163   1HG2  VAL  18           HG22     VAL  18   3.600   5.989  -5.335
  164   2HG2  VAL  18           HG21     VAL  18   4.129   6.798  -6.810
  165   3HG2  VAL  18           HG23     VAL  18   5.311   6.021  -5.757
  166    H    LYS  19           HN       LYS  19   5.587   7.229  -1.888
  167    HA   LYS  19           HA       LYS  19   5.621   4.368  -2.197
  168   1HB   LYS  19           HB2      LYS  19   7.581   5.057  -1.204
  169   2HB   LYS  19           HB1      LYS  19   6.801   6.390  -0.369
  170   1HG   LYS  19           HG2      LYS  19   6.758   5.163   1.531
  171   2HG   LYS  19           HG1      LYS  19   5.836   3.896   0.729
  172   1HD   LYS  19           HD2      LYS  19   7.655   2.589   0.416
  173   2HD   LYS  19           HD1      LYS  19   8.679   3.955  -0.023
  174   1HE   LYS  19           HE2      LYS  19   8.927   4.570   2.328
  175   2HE   LYS  19           HE1      LYS  19   7.812   3.289   2.804
  176   1HZ   LYS  19           HZ3      LYS  19   9.347   1.663   1.887
  177   2HZ   LYS  19           HZ2      LYS  19  10.423   2.901   1.443
  178   3HZ   LYS  19           HZ1      LYS  19  10.104   2.597   3.083
  179    H    LYS  20           HN       LYS  20   4.792   5.955   0.886
  180    HA   LYS  20           HA       LYS  20   3.202   3.944   1.932
  181   1HB   LYS  20           HB2      LYS  20   3.712   6.619   2.587
  182   2HB   LYS  20           HB1      LYS  20   1.956   6.532   2.434
  183   1HG   LYS  20           HG2      LYS  20   2.239   4.324   3.846
  184   2HG   LYS  20           HG1      LYS  20   3.766   5.066   4.326
  185   1HD   LYS  20           HD2      LYS  20   1.910   5.633   5.887
  186   2HD   LYS  20           HD1      LYS  20   2.593   7.060   5.110
  187   1HE   LYS  20           HE2      LYS  20   0.687   7.493   3.938
  188   2HE   LYS  20           HE1      LYS  20   0.369   5.785   3.637
  189   1HZ   LYS  20           HZ3      LYS  20  -0.363   5.570   5.941
  190   2HZ   LYS  20           HZ2      LYS  20  -0.105   7.231   6.187
  191   3HZ   LYS  20           HZ1      LYS  20  -1.298   6.704   5.096
  192    H    CYS  21           HN       CYS  21   2.445   6.079  -0.688
  193    HA   CYS  21           HA       CYS  21  -0.432   5.801  -0.764
  194   1HB   CYS  21           HB2      CYS  21   1.589   6.203  -2.968
  195   2HB   CYS  21           HB1      CYS  21  -0.148   6.380  -3.085
  196    H    CYS  22           HN       CYS  22   2.101   4.221  -2.754
  197    HA   CYS  22           HA       CYS  22   0.384   2.370  -3.978
  198   1HB   CYS  22           HB2      CYS  22   2.306   2.376  -5.065
  199   2HB   CYS  22           HB1      CYS  22   3.286   2.664  -3.636
  200    H    TYR  23           HN       TYR  23   2.295   2.181  -1.003
  201    HA   TYR  23           HA       TYR  23   1.567  -0.487  -0.293
  202   1HB   TYR  23           HB2      TYR  23   2.324   1.930   1.366
  203   2HB   TYR  23           HB1      TYR  23   1.937   0.375   2.102
  204    HD1  TYR  23           HD2      TYR  23   4.151   2.005  -0.391
  205    HD2  TYR  23           HD1      TYR  23   3.550  -1.365   2.185
  206    HE1  TYR  23           HE2      TYR  23   6.453   1.244  -0.869
  207    HE2  TYR  23           HE1      TYR  23   5.855  -2.145   1.702
  208    HH   TYR  23           HH       TYR  23   8.176  -0.548   0.772
  209    H    ASP  24           HN       ASP  24   0.009   2.637  -0.031
  210    HA   ASP  24           HA       ASP  24  -2.125   1.955   1.726
  211   1HB   ASP  24           HB2      ASP  24  -1.537   4.144  -0.193
  212   2HB   ASP  24           HB1      ASP  24  -3.259   3.756  -0.048
  213    H    GLY  25           HN       GLY  25  -1.875   1.814  -1.800
  214   1HA   GLY  25           HA2      GLY  25  -4.474   0.837  -2.358
  215   2HA   GLY  25           HA1      GLY  25  -3.057   0.607  -3.379
  216    H    ALA  26           HN       ALA  26  -1.400  -1.011  -2.072
  217    HA   ALA  26           HA       ALA  26  -2.913  -3.529  -2.017
  218   1HB   ALA  26           HB1      ALA  26  -0.494  -2.970  -2.987
  219   2HB   ALA  26           HB3      ALA  26  -0.005  -3.446  -1.361
  220   3HB   ALA  26           HB2      ALA  26  -0.898  -4.576  -2.379
  221    H    SER  27           HN       SER  27  -2.407  -1.300   0.397
  222    HA   SER  27           HA       SER  27  -1.870  -3.349   2.462
  223   1HB   SER  27           HB2      SER  27  -1.889  -0.373   2.529
  224   2HB   SER  27           HB1      SER  27  -1.800  -1.335   3.983
  225    HG   SER  27           HG       SER  27   0.265  -1.324   3.553
  226    H    VAL  28           HN       VAL  28  -4.198  -0.715   1.844
  227    HA   VAL  28           HA       VAL  28  -5.927  -1.524   4.000
  228    HB   VAL  28           HB       VAL  28  -7.090  -0.146   1.613
  229   1HG1  VAL  28           HG13     VAL  28  -7.252   0.014   4.620
  230   2HG1  VAL  28           HG12     VAL  28  -7.851   1.334   3.618
  231   3HG1  VAL  28           HG11     VAL  28  -8.548  -0.276   3.462
  232   1HG2  VAL  28           HG23     VAL  28  -4.632   0.681   2.981
  233   2HG2  VAL  28           HG22     VAL  28  -5.364   1.321   1.510
  234   3HG2  VAL  28           HG21     VAL  28  -5.905   1.895   3.085
  235    H    ASN  29           HN       ASN  29  -8.365  -2.094   3.338
  236    HA   ASN  29           HA       ASN  29  -8.620  -4.726   2.708
  237   1HB   ASN  29           HB2      ASN  29 -10.384  -2.503   2.745
  238   2HB   ASN  29           HB1      ASN  29 -10.733  -3.402   1.273
  239   1HD2  ASN  29           HD22     ASN  29 -11.130  -6.450   3.536
  240   2HD2  ASN  29           HD21     ASN  29  -9.915  -6.026   2.430
  241    H    ASN  30           HN       ASN  30  -9.158  -5.930   0.750
  242    HA   ASN  30           HA       ASN  30  -7.385  -5.745  -1.348
  243   1HB   ASN  30           HB2      ASN  30 -10.110  -6.896  -1.058
  244   2HB   ASN  30           HB1      ASN  30  -9.514  -6.703  -2.707
  245   1HD2  ASN  30           HD22     ASN  30  -7.918  -9.570  -0.311
  246   2HD2  ASN  30           HD21     ASN  30  -9.128  -8.525   0.258
  247    H    ASP  31           HN       ASP  31 -10.216  -3.742  -0.834
  248    HA   ASP  31           HA       ASP  31  -9.355  -2.082  -3.121
  249   1HB   ASP  31           HB2      ASP  31 -12.050  -3.431  -2.927
  250   2HB   ASP  31           HB1      ASP  31 -11.802  -1.974  -3.891
  251    H    GLU  32           HN       GLU  32  -9.902  -2.024   0.011
  252    HA   GLU  32           HA       GLU  32 -11.966  -0.163   0.497
  253   1HB   GLU  32           HB2      GLU  32 -11.053  -0.927   2.473
  254   2HB   GLU  32           HB1      GLU  32  -9.393  -0.792   1.892
  255   1HG   GLU  32           HG2      GLU  32  -9.266   1.464   2.414
  256   2HG   GLU  32           HG1      GLU  32 -10.996   1.718   2.193
  257    H    THR  33           HN       THR  33  -8.535   0.832   0.524
  258    HA   THR  33           HA       THR  33  -9.243   3.522  -0.331
  259    HB   THR  33           HB       THR  33  -6.452   2.418  -0.464
  260    HG1  THR  33           HG1      THR  33  -7.816   3.233   1.884
  261   1HG2  THR  33           HG21     THR  33  -7.750   5.066   0.155
  262   2HG2  THR  33           HG23     THR  33  -6.063   4.746   0.555
  263   3HG2  THR  33           HG22     THR  33  -6.598   4.683  -1.124
  264    H    CYS  34           HN       CYS  34  -7.672   0.716  -1.848
  265    HA   CYS  34           HA       CYS  34  -6.843   1.529  -4.324
  266   1HB   CYS  34           HB2      CYS  34  -7.371  -0.867  -3.364
  267   2HB   CYS  34           HB1      CYS  34  -8.886  -0.672  -4.244
  268    H    GLU  35           HN       GLU  35 -10.175   1.490  -3.181
  269    HA   GLU  35           HA       GLU  35 -11.248   2.280  -5.813
  270   1HB   GLU  35           HB2      GLU  35 -12.290   0.816  -3.763
  271   2HB   GLU  35           HB1      GLU  35 -13.018   2.392  -3.453
  272   1HG   GLU  35           HG2      GLU  35 -14.381   2.222  -5.251
  273   2HG   GLU  35           HG1      GLU  35 -13.063   1.680  -6.290
  274    H    GLN  36           HN       GLN  36 -11.923   3.690  -2.586
  275    HA   GLN  36           HA       GLN  36 -12.785   6.174  -3.419
  276   1HB   GLN  36           HB2      GLN  36 -11.187   5.339  -1.014
  277   2HB   GLN  36           HB1      GLN  36 -11.567   7.044  -1.267
  278   1HG   GLN  36           HG2      GLN  36 -13.900   5.366  -1.716
  279   2HG   GLN  36           HG1      GLN  36 -13.240   5.130  -0.096
  280   1HE2  GLN  36           HE22     GLN  36 -14.869   8.066   0.953
  281   2HE2  GLN  36           HE21     GLN  36 -14.541   6.425   1.236
  282    H    ARG  37           HN       ARG  37  -9.535   4.974  -3.604
  283    HA   ARG  37           HA       ARG  37  -8.512   7.664  -4.281
  284   1HB   ARG  37           HB2      ARG  37  -7.396   5.240  -3.112
  285   2HB   ARG  37           HB1      ARG  37  -6.389   5.876  -4.412
  286   1HG   ARG  37           HG2      ARG  37  -5.850   6.793  -2.127
  287   2HG   ARG  37           HG1      ARG  37  -6.241   8.021  -3.325
  288   1HD   ARG  37           HD2      ARG  37  -8.715   7.328  -2.229
  289   2HD   ARG  37           HD1      ARG  37  -7.621   7.359  -0.848
  290    HE   ARG  37           HE       ARG  37  -7.026   9.694  -2.211
  291   1HH1  ARG  37           HH21     ARG  37  -9.872   8.179  -0.969
  292   2HH1  ARG  37           HH22     ARG  37 -10.681   9.674  -0.643
  293   1HH2  ARG  37           HH12     ARG  37  -8.073  11.649  -1.790
  294   2HH2  ARG  37           HH11     ARG  37  -9.666  11.636  -1.107
  295    H    ALA  38           HN       ALA  38  -8.617   4.345  -5.676
  296    HA   ALA  38           HA       ALA  38  -7.527   5.385  -8.206
  297   1HB   ALA  38           HB1      ALA  38  -7.246   2.989  -7.127
  298   2HB   ALA  38           HB3      ALA  38  -8.757   2.665  -7.976
  299   3HB   ALA  38           HB2      ALA  38  -7.330   3.175  -8.878
  300    H    ALA  39           HN       ALA  39 -10.622   3.995  -7.128
  301    HA   ALA  39           HA       ALA  39 -11.945   4.394  -9.654
  302   1HB   ALA  39           HB2      ALA  39 -12.593   3.277  -7.123
  303   2HB   ALA  39           HB1      ALA  39 -13.810   4.504  -7.470
  304   3HB   ALA  39           HB3      ALA  39 -13.534   3.188  -8.612
  305    H    ARG  40           HN       ARG  40 -11.532   6.401  -6.775
  306    HA   ARG  40           HA       ARG  40 -13.120   8.548  -8.117
  307   1HB   ARG  40           HB2      ARG  40 -12.486   7.932  -5.243
  308   2HB   ARG  40           HB1      ARG  40 -12.881   9.583  -5.717
  309   1HG   ARG  40           HG2      ARG  40 -14.615   7.204  -6.423
  310   2HG   ARG  40           HG1      ARG  40 -14.862   8.180  -4.974
  311   1HD   ARG  40           HD2      ARG  40 -15.867   9.817  -6.154
  312   2HD   ARG  40           HD1      ARG  40 -14.552   9.858  -7.328
  313    HE   ARG  40           HE       ARG  40 -15.971   7.571  -7.996
  314   1HH1  ARG  40           HH21     ARG  40 -16.699  10.910  -7.492
  315   2HH1  ARG  40           HH22     ARG  40 -18.003  10.930  -8.632
  316   1HH2  ARG  40           HH12     ARG  40 -17.671   7.587  -9.483
  317   2HH2  ARG  40           HH11     ARG  40 -18.552   9.053  -9.757
  318    H    ILE  41           HN       ILE  41 -11.757   9.818  -9.297
  319    HA   ILE  41           HA       ILE  41  -9.417  10.984  -7.897
  320    HB   ILE  41           HB       ILE  41  -9.284   9.509 -10.541
  321   1HG1  ILE  41           HG12     ILE  41  -7.393   9.208  -8.225
  322   2HG1  ILE  41           HG11     ILE  41  -8.974   8.422  -8.154
  323   1HG2  ILE  41           HG23     ILE  41  -7.911  11.879  -9.765
  324   2HG2  ILE  41           HG22     ILE  41  -6.754  10.551  -9.682
  325   3HG2  ILE  41           HG21     ILE  41  -7.618  10.876 -11.185
  326   1HD1  ILE  41           HD11     ILE  41  -7.040   8.113 -10.466
  327   2HD1  ILE  41           HD13     ILE  41  -7.179   6.962  -9.138
  328   3HD1  ILE  41           HD12     ILE  41  -8.543   7.231 -10.221
  329    H    SER  42           HN       SER  42 -11.549  12.513  -8.204
  330    HA   SER  42           HA       SER  42 -12.069  13.732 -10.705
  331   1HB   SER  42           HB2      SER  42 -12.546  15.813  -9.182
  332   2HB   SER  42           HB1      SER  42 -13.546  14.376  -9.002
  333    HG   SER  42           HG       SER  42 -12.849  14.279  -7.032
  334    H    LEU  43           HN       LEU  43  -9.319  13.894  -8.652
  335    HA   LEU  43           HA       LEU  43  -8.065  15.879 -10.493
  336   1HB   LEU  43           HB2      LEU  43  -8.600  17.150  -8.509
  337   2HB   LEU  43           HB1      LEU  43  -8.010  15.866  -7.459
  338    HG   LEU  43           HG       LEU  43  -6.473  17.905  -7.832
  339   1HD1  LEU  43           HD13     LEU  43  -5.974  15.197  -7.353
  340   2HD1  LEU  43           HD12     LEU  43  -4.796  15.649  -8.585
  341   3HD1  LEU  43           HD11     LEU  43  -4.861  16.534  -7.062
  342   1HD2  LEU  43           HD23     LEU  43  -6.236  16.486 -10.498
  343   2HD2  LEU  43           HD22     LEU  43  -6.629  18.178 -10.208
  344   3HD2  LEU  43           HD21     LEU  43  -5.001  17.582  -9.885
  345    H    GLY  44           HN       GLY  44  -7.615  13.404  -7.992
  346   1HA   GLY  44           HA2      GLY  44  -6.127  11.590  -7.980
  347   2HA   GLY  44           HA1      GLY  44  -5.530  12.091  -9.558
  348    HA   PRO  45           HA       PRO  45  -3.335  14.698  -5.903
  349   1HB   PRO  45           HB2      PRO  45  -3.095  12.519  -3.994
  350   2HB   PRO  45           HB1      PRO  45  -3.717  14.154  -3.743
  351   1HG   PRO  45           HG2      PRO  45  -5.224  11.789  -3.804
  352   2HG   PRO  45           HG1      PRO  45  -5.849  13.440  -3.843
  353   1HD   PRO  45           HD2      PRO  45  -5.850  11.469  -5.952
  354   2HD   PRO  45           HD1      PRO  45  -6.586  13.077  -5.938
  355    H    ARG  46           HN       ARG  46  -2.729  11.192  -5.518
  356    HA   ARG  46           HA       ARG  46  -0.606  11.016  -7.398
  357   1HB   ARG  46           HB2      ARG  46   0.098  12.403  -4.991
  358   2HB   ARG  46           HB1      ARG  46   0.937  10.851  -5.004
  359   1HG   ARG  46           HG2      ARG  46   2.105  11.342  -6.952
  360   2HG   ARG  46           HG1      ARG  46   0.888  12.488  -7.515
  361   1HD   ARG  46           HD2      ARG  46   1.877  14.221  -6.451
  362   2HD   ARG  46           HD1      ARG  46   2.103  13.285  -4.973
  363    HE   ARG  46           HE       ARG  46   4.005  12.249  -6.694
  364   1HH1  ARG  46           HH21     ARG  46   3.100  15.395  -5.586
  365   2HH1  ARG  46           HH22     ARG  46   4.706  16.033  -5.689
  366   1HH2  ARG  46           HH12     ARG  46   6.102  13.072  -6.831
  367   2HH2  ARG  46           HH11     ARG  46   6.404  14.721  -6.392
  368    H    CYS  47           HN       CYS  47  -1.629   9.960  -4.134
  369    HA   CYS  47           HA       CYS  47  -0.509   7.353  -4.369
  370   1HB   CYS  47           HB2      CYS  47  -3.013   7.940  -2.773
  371   2HB   CYS  47           HB1      CYS  47  -1.823   6.709  -2.458
  372    H    ILE  48           HN       ILE  48  -3.423   8.742  -5.702
  373    HA   ILE  48           HA       ILE  48  -4.649   6.184  -6.158
  374    HB   ILE  48           HB       ILE  48  -6.171   7.352  -7.621
  375   1HG1  ILE  48           HG12     ILE  48  -5.650   9.883  -8.006
  376   2HG1  ILE  48           HG11     ILE  48  -3.979   9.407  -7.757
  377   1HG2  ILE  48           HG21     ILE  48  -6.403   7.812  -5.209
  378   2HG2  ILE  48           HG23     ILE  48  -5.328   9.199  -5.378
  379   3HG2  ILE  48           HG22     ILE  48  -6.899   9.200  -6.176
  380   1HD1  ILE  48           HD13     ILE  48  -5.202   7.513  -9.524
  381   2HD1  ILE  48           HD12     ILE  48  -5.560   9.136 -10.115
  382   3HD1  ILE  48           HD11     ILE  48  -3.889   8.637  -9.874
  383    H    LYS  49           HN       LYS  49  -2.631   8.303  -8.247
  384    HA   LYS  49           HA       LYS  49  -2.645   6.482 -10.462
  385   1HB   LYS  49           HB2      LYS  49  -1.691   9.004 -10.078
  386   2HB   LYS  49           HB1      LYS  49  -0.190   8.078 -10.037
  387   1HG   LYS  49           HG2      LYS  49  -0.840   6.993 -12.184
  388   2HG   LYS  49           HG1      LYS  49  -2.274   8.020 -12.240
  389   1HD   LYS  49           HD2      LYS  49   0.128   9.587 -11.752
  390   2HD   LYS  49           HD1      LYS  49   0.261   8.654 -13.244
  391   1HE   LYS  49           HE2      LYS  49  -1.460   9.780 -14.266
  392   2HE   LYS  49           HE1      LYS  49  -2.329  10.039 -12.753
  393   1HZ   LYS  49           HZ1      LYS  49   0.197  11.379 -12.814
  394   2HZ   LYS  49           HZ3      LYS  49  -0.822  11.886 -14.071
  395   3HZ   LYS  49           HZ2      LYS  49  -1.346  11.994 -12.459
  396    H    ALA  50           HN       ALA  50   0.054   7.158  -8.209
  397    HA   ALA  50           HA       ALA  50   1.651   4.937  -8.892
  398   1HB   ALA  50           HB3      ALA  50   2.151   6.859  -7.215
  399   2HB   ALA  50           HB2      ALA  50   1.348   5.827  -6.031
  400   3HB   ALA  50           HB1      ALA  50   2.798   5.258  -6.857
  401    H    PHE  51           HN       PHE  51  -0.674   5.200  -6.255
  402    HA   PHE  51           HA       PHE  51  -0.339   2.435  -5.664
  403   1HB   PHE  51           HB2      PHE  51  -1.240   2.993  -3.749
  404   2HB   PHE  51           HB1      PHE  51  -1.242   4.638  -4.282
  405    HD1  PHE  51           HD1      PHE  51  -3.609   4.168  -6.337
  406    HD2  PHE  51           HD2      PHE  51  -3.028   3.218  -2.215
  407    HE1  PHE  51           HE1      PHE  51  -6.050   4.101  -6.009
  408    HE2  PHE  51           HE2      PHE  51  -5.473   3.181  -1.882
  409    HZ   PHE  51           HZ       PHE  51  -6.985   3.606  -3.785
  410    H    THR  52           HN       THR  52  -2.156   3.885  -8.124
  411    HA   THR  52           HA       THR  52  -4.373   1.940  -8.006
  412    HB   THR  52           HB       THR  52  -3.628   4.149  -9.926
  413    HG1  THR  52           HG1      THR  52  -5.603   4.890  -9.311
  414   1HG2  THR  52           HG21     THR  52  -5.615   1.915 -10.420
  415   2HG2  THR  52           HG23     THR  52  -5.569   3.421 -11.338
  416   3HG2  THR  52           HG22     THR  52  -4.202   2.308 -11.400
  417    H    GLU  53           HN       GLU  53  -1.383   2.528  -9.796
  418    HA   GLU  53           HA       GLU  53  -1.748   0.087 -11.403
  419   1HB   GLU  53           HB2      GLU  53   0.900   1.469 -10.990
  420   2HB   GLU  53           HB1      GLU  53   0.286   0.662 -12.434
  421   1HG   GLU  53           HG2      GLU  53  -1.575   2.655 -12.057
  422   2HG   GLU  53           HG1      GLU  53  -0.080   3.442 -11.548
  423    H    CYS  54           HN       CYS  54  -0.227   1.104  -8.426
  424    HA   CYS  54           HA       CYS  54   1.245  -1.375  -7.998
  425   1HB   CYS  54           HB2      CYS  54   2.174   0.472  -6.916
  426   2HB   CYS  54           HB1      CYS  54   0.609   1.082  -6.365
  427    H    CYS  55           HN       CYS  55  -1.896  -0.080  -7.018
  428    HA   CYS  55           HA       CYS  55  -2.480  -2.300  -5.227
  429   1HB   CYS  55           HB2      CYS  55  -3.666  -0.221  -4.825
  430   2HB   CYS  55           HB1      CYS  55  -4.304  -0.190  -6.461
  431    H    VAL  56           HN       VAL  56  -3.622  -1.335  -8.469
  432    HA   VAL  56           HA       VAL  56  -5.175  -3.611  -9.034
  433    HB   VAL  56           HB       VAL  56  -4.735  -3.132 -11.424
  434   1HG1  VAL  56           HG13     VAL  56  -5.276  -0.867  -9.518
  435   2HG1  VAL  56           HG12     VAL  56  -5.262  -0.582 -11.258
  436   3HG1  VAL  56           HG11     VAL  56  -6.405  -1.730 -10.561
  437   1HG2  VAL  56           HG21     VAL  56  -2.506  -1.515 -10.216
  438   2HG2  VAL  56           HG23     VAL  56  -2.462  -2.602 -11.604
  439   3HG2  VAL  56           HG22     VAL  56  -3.216  -1.015 -11.750
  440    H    VAL  57           HN       VAL  57  -1.655  -3.101  -9.718
  441    HA   VAL  57           HA       VAL  57  -1.203  -5.731 -10.713
  442    HB   VAL  57           HB       VAL  57   0.591  -4.067 -10.813
  443   1HG1  VAL  57           HG11     VAL  57  -0.059  -3.018  -8.595
  444   2HG1  VAL  57           HG13     VAL  57   0.753  -4.361  -7.798
  445   3HG1  VAL  57           HG12     VAL  57   1.673  -3.249  -8.808
  446   1HG2  VAL  57           HG21     VAL  57   0.823  -6.737 -10.078
  447   2HG2  VAL  57           HG23     VAL  57   2.150  -5.725 -10.647
  448   3HG2  VAL  57           HG22     VAL  57   1.865  -5.914  -8.917
  449    H    ALA  58           HN       ALA  58  -1.123  -4.481  -7.367
  450    HA   ALA  58           HA       ALA  58  -0.300  -6.757  -6.003
  451   1HB   ALA  58           HB1      ALA  58  -1.585  -4.370  -5.308
  452   2HB   ALA  58           HB3      ALA  58  -2.671  -5.637  -4.736
  453   3HB   ALA  58           HB2      ALA  58  -0.995  -5.600  -4.189
  454    H    SER  59           HN       SER  59  -3.626  -6.012  -7.032
  455    HA   SER  59           HA       SER  59  -4.567  -8.693  -6.329
  456   1HB   SER  59           HB2      SER  59  -6.371  -7.353  -8.101
  457   2HB   SER  59           HB1      SER  59  -6.555  -7.647  -6.373
  458    HG   SER  59           HG       SER  59  -6.460  -5.512  -6.395
  459    H    GLN  60           HN       GLN  60  -4.966  -7.019  -9.429
  460    HA   GLN  60           HA       GLN  60  -5.460  -9.015 -11.145
  461   1HB   GLN  60           HB2      GLN  60  -4.356  -6.450 -11.407
  462   2HB   GLN  60           HB1      GLN  60  -3.280  -7.512 -12.316
  463   1HG   GLN  60           HG2      GLN  60  -4.874  -8.017 -13.873
  464   2HG   GLN  60           HG1      GLN  60  -6.179  -8.006 -12.686
  465   1HE2  GLN  60           HE22     GLN  60  -6.301  -4.955 -14.993
  466   2HE2  GLN  60           HE21     GLN  60  -6.071  -6.600 -15.345
  467    H    LEU  61           HN       LEU  61  -2.276  -8.576  -9.654
  468    HA   LEU  61           HA       LEU  61  -1.321 -10.934 -11.193
  469   1HB   LEU  61           HB2      LEU  61   0.752 -10.013 -11.193
  470   2HB   LEU  61           HB1      LEU  61  -0.049  -8.538 -10.684
  471    HG   LEU  61           HG       LEU  61   0.264  -9.444  -8.295
  472   1HD1  LEU  61           HD13     LEU  61   2.034 -11.268  -9.882
  473   2HD1  LEU  61           HD12     LEU  61   2.488 -10.805  -8.242
  474   3HD1  LEU  61           HD11     LEU  61   0.976 -11.663  -8.528
  475   1HD2  LEU  61           HD23     LEU  61   2.096  -8.091 -10.107
  476   2HD2  LEU  61           HD22     LEU  61   1.658  -7.684  -8.447
  477   3HD2  LEU  61           HD21     LEU  61   2.928  -8.866  -8.760
  478    H    ARG  62           HN       ARG  62  -1.484  -9.853  -7.729
  479    HA   ARG  62           HA       ARG  62  -0.655 -12.546  -6.983
  480   1HB   ARG  62           HB2      ARG  62  -1.922 -10.359  -5.294
  481   2HB   ARG  62           HB1      ARG  62  -1.269 -11.866  -4.659
  482   1HG   ARG  62           HG2      ARG  62   0.837 -11.021  -6.157
  483   2HG   ARG  62           HG1      ARG  62   0.157  -9.472  -5.659
  484   1HD   ARG  62           HD2      ARG  62   0.953  -9.736  -3.577
  485   2HD   ARG  62           HD1      ARG  62   0.161 -11.301  -3.423
  486    HE   ARG  62           HE       ARG  62   2.949 -10.913  -3.725
  487   1HH1  ARG  62           HH21     ARG  62   0.411 -12.781  -5.168
  488   2HH1  ARG  62           HH22     ARG  62   1.497 -13.909  -5.896
  489   1HH2  ARG  62           HH12     ARG  62   4.347 -12.404  -4.648
  490   2HH2  ARG  62           HH11     ARG  62   3.711 -13.706  -5.596
  491    H    ALA  63           HN       ALA  63  -3.780 -10.805  -6.780
  492    HA   ALA  63           HA       ALA  63  -5.428 -12.798  -5.801
  493   1HB   ALA  63           HB1      ALA  63  -5.964 -10.938  -8.137
  494   2HB   ALA  63           HB3      ALA  63  -7.209 -11.887  -7.326
  495   3HB   ALA  63           HB2      ALA  63  -6.337 -10.635  -6.441
  496    H    ASN  64           HN       ASN  64  -4.043 -12.578  -9.056
  497    HA   ASN  64           HA       ASN  64  -4.018 -15.388  -9.464
  498   1HB   ASN  64           HB2      ASN  64  -6.562 -14.794  -9.523
  499   2HB   ASN  64           HB1      ASN  64  -6.200 -14.138 -11.120
  500   1HD2  ASN  64           HD22     ASN  64  -7.082 -17.674 -11.713
  501   2HD2  ASN  64           HD21     ASN  64  -7.880 -16.252 -11.242
  502    H    ILE  65           HN       ILE  65  -1.940 -14.106 -10.064
  503    HA   ILE  65           HA       ILE  65  -1.687 -12.444 -12.303
  504    HB   ILE  65           HB       ILE  65   0.501 -14.072 -12.651
  505   1HG1  ILE  65           HG12     ILE  65  -0.001 -14.074  -9.692
  506   2HG1  ILE  65           HG11     ILE  65  -0.504 -15.441 -10.687
  507   1HG2  ILE  65           HG22     ILE  65   0.179 -11.542 -12.027
  508   2HG2  ILE  65           HG21     ILE  65   0.447 -12.109 -10.390
  509   3HG2  ILE  65           HG23     ILE  65   1.688 -12.344 -11.603
  510   1HD1  ILE  65           HD13     ILE  65   2.061 -15.024 -11.572
  511   2HD1  ILE  65           HD12     ILE  65   2.204 -14.611  -9.863
  512   3HD1  ILE  65           HD11     ILE  65   1.613 -16.202 -10.338
  513    H    SER  66           HN       SER  66  -2.710 -12.771 -14.224
  514    HA   SER  66           HA       SER  66  -1.958 -14.879 -15.988
  515   1HB   SER  66           HB2      SER  66  -3.670 -16.437 -15.860
  516   2HB   SER  66           HB1      SER  66  -3.531 -15.991 -14.161
  517    HG   SER  66           HG       SER  66  -5.166 -14.338 -14.708
  518    H    HIS  67           HN       HIS  67  -4.502 -12.598 -15.045
  519    HA   HIS  67           HA       HIS  67  -5.525 -12.278 -17.738
  520   1HB   HIS  67           HB2      HIS  67  -5.825 -10.700 -15.183
  521   2HB   HIS  67           HB1      HIS  67  -6.537 -10.149 -16.699
  522    HD1  HIS  67           HD1      HIS  67  -7.478 -11.971 -13.830
  523    HD2  HIS  67           HD2      HIS  67  -8.048 -12.604 -17.911
  524    HE1  HIS  67           HE1      HIS  67  -9.418 -13.585 -14.040
  525    H    LYS  68           HN       LYS  68  -3.406 -10.296 -15.671
  526    HA   LYS  68           HA       LYS  68  -1.678  -9.513 -17.790
  527   1HB   LYS  68           HB2      LYS  68  -3.590  -8.299 -18.690
  528   2HB   LYS  68           HB1      LYS  68  -3.873  -7.527 -17.128
  529   1HG   LYS  68           HG2      LYS  68  -1.715  -6.389 -17.259
  530   2HG   LYS  68           HG1      LYS  68  -1.345  -7.215 -18.774
  531   1HD   LYS  68           HD2      LYS  68  -2.170  -5.202 -19.584
  532   2HD   LYS  68           HD1      LYS  68  -3.650  -6.162 -19.539
  533   1HE   LYS  68           HE2      LYS  68  -3.073  -4.874 -16.975
  534   2HE   LYS  68           HE1      LYS  68  -3.275  -3.711 -18.286
  535   1HZ   LYS  68           HZ1      LYS  68  -5.281  -5.381 -18.789
  536   2HZ   LYS  68           HZ3      LYS  68  -5.207  -5.524 -17.100
  537   3HZ   LYS  68           HZ2      LYS  68  -5.439  -3.999 -17.813
  538    H    ASP  69           HN       ASP  69   0.156  -8.825 -16.780
  539    HA   ASP  69           HA       ASP  69   0.179  -8.393 -13.920
  540   1HB   ASP  69           HB2      ASP  69   2.588  -7.790 -14.311
  541   2HB   ASP  69           HB1      ASP  69   2.134  -9.348 -15.000
  542    H    MET  70           HN       MET  70   1.879  -6.218 -13.541
  543    HA   MET  70           HA       MET  70   1.088  -3.839 -14.917
  544   1HB   MET  70           HB2      MET  70  -0.845  -4.830 -13.057
  545   2HB   MET  70           HB1      MET  70  -0.143  -3.358 -12.384
  546   1HG   MET  70           HG2      MET  70  -0.602  -2.991 -15.202
  547   2HG   MET  70           HG1      MET  70  -2.088  -3.553 -14.436
  548   1HE   MET  70           HE2      MET  70  -2.647  -1.288 -15.611
  549   2HE   MET  70           HE1      MET  70  -2.481   0.290 -14.843
  550   3HE   MET  70           HE3      MET  70  -1.120  -0.416 -15.726
  551    H    CYS  71           HN       CYS  71   1.164  -2.036 -12.722
  552    HA   CYS  71           HA       CYS  71   3.987  -1.893 -12.252
  553   1HB   CYS  71           HB2      CYS  71   1.573  -0.391 -11.436
  554   2HB   CYS  71           HB1      CYS  71   2.955  -0.223 -10.352
  555   1H    CYS  72           HN3      CYS  72   4.381   3.918 -12.016
  556   2H    CYS  72           HN2      CYS  72   2.917   3.083 -12.217
  557   3H    CYS  72           HN1      CYS  72   2.908   4.733 -11.818
  558    HA   CYS  72           HA       CYS  72   2.385   3.445  -9.870
  559   1HB   CYS  72           HB2      CYS  72   4.758   2.210  -9.182
  560   2HB   CYS  72           HB1      CYS  72   3.284   1.413  -9.704
  561    H    LEU  73           HN       LEU  73   5.921   3.740 -10.051
  562    HA   LEU  73           HA       LEU  73   6.413   5.086  -7.736
  563   1HB   LEU  73           HB2      LEU  73   8.435   5.927  -8.681
  564   2HB   LEU  73           HB1      LEU  73   8.095   4.429  -9.548
  565    HG   LEU  73           HG       LEU  73   7.264   7.166 -10.549
  566   1HD1  LEU  73           HD12     LEU  73   9.783   5.579 -10.890
  567   2HD1  LEU  73           HD11     LEU  73   9.179   6.517 -12.256
  568   3HD1  LEU  73           HD13     LEU  73   9.574   7.323 -10.737
  569   1HD2  LEU  73           HD23     LEU  73   7.302   4.376 -11.725
  570   2HD2  LEU  73           HD22     LEU  73   5.910   5.439 -11.513
  571   3HD2  LEU  73           HD21     LEU  73   7.139   5.824 -12.719
  572    H    GLY  74           HN       GLY  74   6.746   7.395  -7.209
  573   1HA   GLY  74           HA2      GLY  74   4.634   9.069  -8.476
  574   2HA   GLY  74           HA1      GLY  74   5.338   9.353  -6.882
  575   1HN   DAR  75           HN       ARG  75   8.019   9.319  -7.352
  576    HA   DAR  75           HA       ARG  75   9.815  10.459  -8.373
  577   1HB   DAR  75           HB1      ARG  75   8.063  12.201  -7.129
  578   2HB   DAR  75           HB2      ARG  75   8.260  12.921  -8.728
  579   1HG   DAR  75           HG1      ARG  75  10.329  13.634  -8.191
  580   2HG   DAR  75           HG2      ARG  75  10.814  11.996  -7.753
  581   1HD   DAR  75           HD1      ARG  75   9.950  12.279  -5.505
  582   2HD   DAR  75           HD2      ARG  75   9.244  13.842  -5.930
  583    HNE  DAR  75           HE       ARG  75  12.122  13.752  -6.370
  584   1HH1  DAR  75           HH11     ARG  75  13.375  15.007  -4.974
  585   2HH1  DAR  75           HH12     ARG  75  12.670  15.631  -3.520
  586   1HH2  DAR  75           HH21     ARG  75   9.556  14.223  -4.107
  587   2HH2  DAR  75           HH22     ARG  75  10.511  15.187  -3.031
   
  No H/Q in entry =         587
  Start of MODEL   13
    1   1H    MET   1           HN2      MET   1  16.044  -5.787   3.499
    2   2H    MET   1           HN1      MET   1  16.035  -5.867   5.197
    3   3H    MET   1           HN3      MET   1  17.101  -6.842   4.309
    4    HA   MET   1           HA       MET   1  15.597  -8.450   4.402
    5   1HB   MET   1           HB2      MET   1  14.322  -6.351   5.899
    6   2HB   MET   1           HB1      MET   1  13.107  -7.199   4.942
    7   1HG   MET   1           HG2      MET   1  15.078  -8.959   6.254
    8   2HG   MET   1           HG1      MET   1  14.034  -8.072   7.364
    9   1HE   MET   1           HE1      MET   1  14.830 -10.732   5.533
   10   2HE   MET   1           HE3      MET   1  13.686 -11.760   6.406
   11   3HE   MET   1           HE2      MET   1  13.473 -11.467   4.682
   12    H    LEU   2           HN       LEU   2  15.265  -9.161   2.341
   13    HA   LEU   2           HA       LEU   2  13.261  -7.678   0.691
   14   1HB   LEU   2           HB2      LEU   2  15.976  -8.727  -0.068
   15   2HB   LEU   2           HB1      LEU   2  14.702  -8.617  -1.284
   16    HG   LEU   2           HG       LEU   2  14.857  -6.199   0.334
   17   1HD1  LEU   2           HD12     LEU   2  17.353  -7.365  -0.757
   18   2HD1  LEU   2           HD11     LEU   2  17.068  -5.671  -1.156
   19   3HD1  LEU   2           HD13     LEU   2  17.133  -6.180   0.531
   20   1HD2  LEU   2           HD21     LEU   2  14.087  -6.987  -2.223
   21   2HD2  LEU   2           HD23     LEU   2  14.178  -5.324  -1.642
   22   3HD2  LEU   2           HD22     LEU   2  15.543  -6.031  -2.506
   23    H    GLN   3           HN       GLN   3  11.635  -9.197   1.332
   24    HA   GLN   3           HA       GLN   3  11.722 -11.704  -0.199
   25   1HB   GLN   3           HB2      GLN   3  12.603 -11.822   2.406
   26   2HB   GLN   3           HB1      GLN   3  10.888 -12.200   2.582
   27   1HG   GLN   3           HG2      GLN   3  11.031 -14.090   1.195
   28   2HG   GLN   3           HG1      GLN   3  12.527 -13.538   0.439
   29   1HE2  GLN   3           HE22     GLN   3  13.019 -14.773   4.326
   30   2HE2  GLN   3           HE21     GLN   3  11.774 -13.682   3.948
   31    H    LYS   4           HN       LYS   4  10.035 -10.006  -1.040
   32    HA   LYS   4           HA       LYS   4   7.411 -10.871   0.005
   33   1HB   LYS   4           HB2      LYS   4   8.544  -8.266   0.553
   34   2HB   LYS   4           HB1      LYS   4   7.095  -8.102  -0.440
   35   1HG   LYS   4           HG2      LYS   4   5.718  -8.856   1.214
   36   2HG   LYS   4           HG1      LYS   4   6.885 -10.053   1.776
   37   1HD   LYS   4           HD2      LYS   4   7.916  -7.403   2.257
   38   2HD   LYS   4           HD1      LYS   4   6.301  -7.547   2.953
   39   1HE   LYS   4           HE2      LYS   4   7.362  -9.937   3.696
   40   2HE   LYS   4           HE1      LYS   4   8.811  -8.930   3.705
   41   1HZ   LYS   4           HZ1      LYS   4   7.002  -7.344   4.906
   42   2HZ   LYS   4           HZ3      LYS   4   6.517  -8.873   5.454
   43   3HZ   LYS   4           HZ2      LYS   4   8.108  -8.340   5.726
   44    H    LYS   5           HN       LYS   5   5.677  -9.573  -1.494
   45    HA   LYS   5           HA       LYS   5   6.623 -10.074  -4.273
   46   1HB   LYS   5           HB2      LYS   5   3.810  -9.842  -3.157
   47   2HB   LYS   5           HB1      LYS   5   4.214 -10.211  -4.834
   48   1HG   LYS   5           HG2      LYS   5   5.702 -12.096  -3.630
   49   2HG   LYS   5           HG1      LYS   5   4.443 -11.923  -2.407
   50   1HD   LYS   5           HD2      LYS   5   2.829 -12.048  -4.496
   51   2HD   LYS   5           HD1      LYS   5   4.209 -12.850  -5.249
   52   1HE   LYS   5           HE2      LYS   5   2.630 -13.708  -2.829
   53   2HE   LYS   5           HE1      LYS   5   3.004 -14.633  -4.284
   54   1HZ   LYS   5           HZ2      LYS   5   5.336 -14.628  -3.638
   55   2HZ   LYS   5           HZ1      LYS   5   4.960 -13.764  -2.224
   56   3HZ   LYS   5           HZ3      LYS   5   4.372 -15.341  -2.433
   57    H    ILE   6           HN       ILE   6   3.938  -7.988  -3.244
   58    HA   ILE   6           HA       ILE   6   5.097  -5.844  -4.919
   59    HB   ILE   6           HB       ILE   6   2.376  -6.456  -3.829
   60   1HG1  ILE   6           HG12     ILE   6   3.247  -7.015  -6.173
   61   2HG1  ILE   6           HG11     ILE   6   1.724  -6.130  -6.103
   62   1HG2  ILE   6           HG22     ILE   6   3.399  -3.689  -4.514
   63   2HG2  ILE   6           HG21     ILE   6   1.687  -4.110  -4.567
   64   3HG2  ILE   6           HG23     ILE   6   2.571  -4.202  -3.044
   65   1HD1  ILE   6           HD12     ILE   6   3.965  -4.292  -6.094
   66   2HD1  ILE   6           HD11     ILE   6   4.050  -5.368  -7.490
   67   3HD1  ILE   6           HD13     ILE   6   2.611  -4.385  -7.218
   68    H    GLU   7           HN       GLU   7   5.152  -6.790  -1.697
   69    HA   GLU   7           HA       GLU   7   4.821  -4.458  -0.186
   70   1HB   GLU   7           HB2      GLU   7   5.540  -6.827   0.579
   71   2HB   GLU   7           HB1      GLU   7   7.185  -6.286   0.246
   72   1HG   GLU   7           HG2      GLU   7   7.042  -5.614   2.443
   73   2HG   GLU   7           HG1      GLU   7   6.357  -4.178   1.682
   74    H    GLU   8           HN       GLU   8   8.052  -5.544  -1.295
   75    HA   GLU   8           HA       GLU   8   9.155  -2.892  -1.019
   76   1HB   GLU   8           HB2      GLU   8  11.145  -3.804  -2.062
   77   2HB   GLU   8           HB1      GLU   8  10.492  -5.050  -0.998
   78   1HG   GLU   8           HG2      GLU   8   9.489  -6.218  -2.851
   79   2HG   GLU   8           HG1      GLU   8   9.862  -4.893  -3.955
   80    H    ILE   9           HN       ILE   9   7.525  -4.599  -3.635
   81    HA   ILE   9           HA       ILE   9   8.296  -3.015  -5.844
   82    HB   ILE   9           HB       ILE   9   5.540  -4.068  -5.113
   83   1HG1  ILE   9           HG12     ILE   9   7.446  -5.712  -5.478
   84   2HG1  ILE   9           HG11     ILE   9   6.078  -5.909  -6.573
   85   1HG2  ILE   9           HG23     ILE   9   6.456  -2.349  -7.298
   86   2HG2  ILE   9           HG22     ILE   9   5.687  -3.828  -7.875
   87   3HG2  ILE   9           HG21     ILE   9   4.812  -2.743  -6.796
   88   1HD1  ILE   9           HD11     ILE   9   8.592  -4.343  -7.224
   89   2HD1  ILE   9           HD13     ILE   9   8.267  -5.991  -7.763
   90   3HD1  ILE   9           HD12     ILE   9   7.247  -4.665  -8.318
   91    H    ALA  10           HN       ALA  10   6.332  -2.374  -3.060
   92    HA   ALA  10           HA       ALA  10   5.537   0.314  -3.980
   93   1HB   ALA  10           HB2      ALA  10   4.019  -1.124  -2.551
   94   2HB   ALA  10           HB1      ALA  10   5.194  -0.970  -1.246
   95   3HB   ALA  10           HB3      ALA  10   4.359   0.460  -1.853
   96    H    ALA  11           HN       ALA  11   7.789  -1.322  -1.820
   97    HA   ALA  11           HA       ALA  11   8.825   0.893  -0.422
   98   1HB   ALA  11           HB2      ALA  11   9.467  -1.424   0.097
   99   2HB   ALA  11           HB1      ALA  11  10.351  -1.511  -1.426
  100   3HB   ALA  11           HB3      ALA  11  10.887  -0.410  -0.157
  101    H    LYS  12           HN       LYS  12   9.013   0.079  -3.744
  102    HA   LYS  12           HA       LYS  12  11.405   1.735  -4.251
  103   1HB   LYS  12           HB2      LYS  12   9.594   0.278  -6.196
  104   2HB   LYS  12           HB1      LYS  12  11.181   0.959  -6.553
  105   1HG   LYS  12           HG2      LYS  12  10.670  -1.213  -4.502
  106   2HG   LYS  12           HG1      LYS  12  11.255  -1.502  -6.140
  107   1HD   LYS  12           HD2      LYS  12  13.247  -0.162  -5.710
  108   2HD   LYS  12           HD1      LYS  12  12.643   0.264  -4.107
  109   1HE   LYS  12           HE2      LYS  12  14.253  -1.542  -3.870
  110   2HE   LYS  12           HE1      LYS  12  12.644  -2.174  -3.520
  111   1HZ   LYS  12           HZ2      LYS  12  13.813  -2.317  -6.231
  112   2HZ   LYS  12           HZ1      LYS  12  14.113  -3.520  -5.070
  113   3HZ   LYS  12           HZ3      LYS  12  12.525  -3.218  -5.585
  114    H    TYR  13           HN       TYR  13   7.916   1.923  -4.519
  115    HA   TYR  13           HA       TYR  13   7.747   4.036  -6.416
  116   1HB   TYR  13           HB2      TYR  13   5.947   3.235  -4.103
  117   2HB   TYR  13           HB1      TYR  13   5.557   4.607  -5.126
  118    HD1  TYR  13           HD1      TYR  13   7.265   1.523  -6.179
  119    HD2  TYR  13           HD2      TYR  13   3.558   3.734  -6.343
  120    HE1  TYR  13           HE1      TYR  13   6.421  -0.033  -7.877
  121    HE2  TYR  13           HE2      TYR  13   2.753   2.179  -8.056
  122    HH   TYR  13           HH       TYR  13   3.116  -0.015  -8.875
  123    H    LYS  14           HN       LYS  14   8.617   6.014  -6.294
  124    HA   LYS  14           HA       LYS  14  10.366   7.164  -4.741
  125   1HB   LYS  14           HB2      LYS  14   8.428   8.265  -6.398
  126   2HB   LYS  14           HB1      LYS  14   8.271   9.171  -4.893
  127   1HG   LYS  14           HG2      LYS  14   9.933  10.273  -6.263
  128   2HG   LYS  14           HG1      LYS  14  10.761   9.500  -4.913
  129   1HD   LYS  14           HD2      LYS  14  11.965   8.214  -6.312
  130   2HD   LYS  14           HD1      LYS  14  10.501   7.648  -7.118
  131   1HE   LYS  14           HE2      LYS  14  10.468   9.681  -8.508
  132   2HE   LYS  14           HE1      LYS  14  11.918  10.267  -7.694
  133   1HZ   LYS  14           HZ2      LYS  14  12.420   7.666  -8.563
  134   2HZ   LYS  14           HZ1      LYS  14  11.732   8.507  -9.870
  135   3HZ   LYS  14           HZ3      LYS  14  13.127   9.108  -9.116
  136    H    HIS  15           HN       HIS  15  10.731   8.065  -2.759
  137    HA   HIS  15           HA       HIS  15   8.954   7.254  -0.603
  138   1HB   HIS  15           HB2      HIS  15  11.384   9.043  -0.396
  139   2HB   HIS  15           HB1      HIS  15  10.681   8.029   0.864
  140    HD1  HIS  15           HD1      HIS  15  11.720   5.780   1.120
  141    HD2  HIS  15           HD2      HIS  15  12.367   7.327  -2.699
  142    HE1  HIS  15           HE1      HIS  15  13.200   4.117  -0.088
  143    H    SER  16           HN       SER  16   9.416  10.153  -2.465
  144    HA   SER  16           HA       SER  16   8.690  12.218  -0.771
  145   1HB   SER  16           HB2      SER  16   8.956  12.925  -2.974
  146   2HB   SER  16           HB1      SER  16   7.987  11.603  -3.620
  147    HG   SER  16           HG       SER  16   6.324  12.866  -3.493
  148    H    VAL  17           HN       VAL  17   6.343  10.191  -2.528
  149    HA   VAL  17           HA       VAL  17   4.595  10.080  -0.182
  150    HB   VAL  17           HB       VAL  17   3.919  11.691  -2.650
  151   1HG1  VAL  17           HG13     VAL  17   2.131  10.113  -0.851
  152   2HG1  VAL  17           HG12     VAL  17   1.581  11.702  -1.383
  153   3HG1  VAL  17           HG11     VAL  17   1.967  10.458  -2.573
  154   1HG2  VAL  17           HG21     VAL  17   3.940  12.138   0.334
  155   2HG2  VAL  17           HG23     VAL  17   4.739  13.079  -0.925
  156   3HG2  VAL  17           HG22     VAL  17   2.988  13.172  -0.732
  157    H    VAL  18           HN       VAL  18   4.879   9.596  -3.681
  158    HA   VAL  18           HA       VAL  18   3.035   7.628  -4.239
  159    HB   VAL  18           HB       VAL  18   4.726   8.562  -5.831
  160   1HG1  VAL  18           HG11     VAL  18   6.496   6.636  -4.312
  161   2HG1  VAL  18           HG13     VAL  18   6.944   7.368  -5.848
  162   3HG1  VAL  18           HG12     VAL  18   6.697   8.381  -4.425
  163   1HG2  VAL  18           HG21     VAL  18   3.818   5.806  -5.615
  164   2HG2  VAL  18           HG23     VAL  18   3.959   6.818  -7.053
  165   3HG2  VAL  18           HG22     VAL  18   5.352   5.903  -6.480
  166    H    LYS  19           HN       LYS  19   5.825   7.288  -2.150
  167    HA   LYS  19           HA       LYS  19   5.996   4.417  -2.267
  168   1HB   LYS  19           HB2      LYS  19   7.900   5.462  -1.374
  169   2HB   LYS  19           HB1      LYS  19   6.952   6.528  -0.348
  170   1HG   LYS  19           HG2      LYS  19   7.057   5.047   1.355
  171   2HG   LYS  19           HG1      LYS  19   6.412   3.765   0.333
  172   1HD   LYS  19           HD2      LYS  19   8.446   2.842   0.044
  173   2HD   LYS  19           HD1      LYS  19   9.175   4.400  -0.344
  174   1HE   LYS  19           HE2      LYS  19   9.839   4.781   1.815
  175   2HE   LYS  19           HE1      LYS  19   8.419   3.984   2.496
  176   1HZ   LYS  19           HZ1      LYS  19  10.074   2.154   1.072
  177   2HZ   LYS  19           HZ3      LYS  19  10.943   2.934   2.302
  178   3HZ   LYS  19           HZ2      LYS  19   9.520   2.084   2.677
  179    H    LYS  20           HN       LYS  20   5.016   6.230   0.651
  180    HA   LYS  20           HA       LYS  20   3.522   4.142   1.792
  181   1HB   LYS  20           HB2      LYS  20   4.034   6.094   3.120
  182   2HB   LYS  20           HB1      LYS  20   3.149   7.144   2.013
  183   1HG   LYS  20           HG2      LYS  20   1.048   6.226   2.656
  184   2HG   LYS  20           HG1      LYS  20   1.811   4.864   3.476
  185   1HD   LYS  20           HD2      LYS  20   1.749   6.056   5.383
  186   2HD   LYS  20           HD1      LYS  20   2.909   7.173   4.661
  187   1HE   LYS  20           HE2      LYS  20   1.156   8.572   3.802
  188   2HE   LYS  20           HE1      LYS  20  -0.077   7.376   4.204
  189   1HZ   LYS  20           HZ1      LYS  20   1.129   7.772   6.574
  190   2HZ   LYS  20           HZ3      LYS  20   1.223   9.323   5.892
  191   3HZ   LYS  20           HZ2      LYS  20  -0.287   8.563   6.069
  192    H    CYS  21           HN       CYS  21   2.767   6.083  -0.935
  193    HA   CYS  21           HA       CYS  21  -0.135   5.816  -0.874
  194   1HB   CYS  21           HB2      CYS  21   1.772   6.205  -3.183
  195   2HB   CYS  21           HB1      CYS  21   0.024   6.348  -3.205
  196    H    CYS  22           HN       CYS  22   2.151   4.400  -3.228
  197    HA   CYS  22           HA       CYS  22   0.561   2.404  -4.218
  198   1HB   CYS  22           HB2      CYS  22   2.511   2.541  -5.300
  199   2HB   CYS  22           HB1      CYS  22   3.481   2.704  -3.847
  200    H    TYR  23           HN       TYR  23   2.417   2.423  -1.199
  201    HA   TYR  23           HA       TYR  23   1.886  -0.270  -0.417
  202   1HB   TYR  23           HB2      TYR  23   2.517   2.274   1.037
  203   2HB   TYR  23           HB1      TYR  23   1.879   0.921   1.973
  204    HD1  TYR  23           HD2      TYR  23   4.631   2.059  -0.192
  205    HD2  TYR  23           HD1      TYR  23   3.167  -1.116   2.288
  206    HE1  TYR  23           HE2      TYR  23   6.871   1.003  -0.235
  207    HE2  TYR  23           HE1      TYR  23   5.407  -2.183   2.240
  208    HH   TYR  23           HH       TYR  23   8.181  -0.584   1.205
  209    H    ASP  24           HN       ASP  24   0.181   2.773   0.276
  210    HA   ASP  24           HA       ASP  24  -2.078   1.908   1.617
  211   1HB   ASP  24           HB2      ASP  24  -1.640   4.076  -0.460
  212   2HB   ASP  24           HB1      ASP  24  -3.286   3.701   0.079
  213    H    GLY  25           HN       GLY  25  -1.580   1.885  -1.891
  214   1HA   GLY  25           HA2      GLY  25  -4.036   0.853  -2.743
  215   2HA   GLY  25           HA1      GLY  25  -2.500   0.560  -3.559
  216    H    ALA  26           HN       ALA  26  -1.062  -1.121  -2.297
  217    HA   ALA  26           HA       ALA  26  -2.778  -3.519  -2.022
  218   1HB   ALA  26           HB1      ALA  26  -0.608  -3.452  -3.361
  219   2HB   ALA  26           HB3      ALA  26   0.236  -3.399  -1.813
  220   3HB   ALA  26           HB2      ALA  26  -0.766  -4.791  -2.224
  221    H    SER  27           HN       SER  27  -2.318  -1.269   0.126
  222    HA   SER  27           HA       SER  27  -1.370  -3.003   2.330
  223   1HB   SER  27           HB2      SER  27  -1.604  -0.080   1.947
  224   2HB   SER  27           HB1      SER  27  -1.642  -0.715   3.577
  225    HG   SER  27           HG       SER  27   0.377  -1.466   3.341
  226    H    VAL  28           HN       VAL  28  -4.064  -0.816   1.554
  227    HA   VAL  28           HA       VAL  28  -5.553  -1.596   3.918
  228    HB   VAL  28           HB       VAL  28  -7.096  -0.537   1.620
  229   1HG1  VAL  28           HG13     VAL  28  -6.784  -0.083   4.573
  230   2HG1  VAL  28           HG12     VAL  28  -7.566   1.150   3.588
  231   3HG1  VAL  28           HG11     VAL  28  -8.237  -0.479   3.658
  232   1HG2  VAL  28           HG22     VAL  28  -4.556   0.683   2.549
  233   2HG2  VAL  28           HG21     VAL  28  -5.431   0.924   1.036
  234   3HG2  VAL  28           HG23     VAL  28  -5.938   1.776   2.496
  235    H    ASN  29           HN       ASN  29  -8.051  -2.290   3.255
  236    HA   ASN  29           HA       ASN  29  -8.090  -5.017   2.891
  237   1HB   ASN  29           HB2      ASN  29 -10.034  -3.008   2.940
  238   2HB   ASN  29           HB1      ASN  29 -10.306  -3.838   1.412
  239   1HD2  ASN  29           HD22     ASN  29 -10.598  -6.070   4.866
  240   2HD2  ASN  29           HD21     ASN  29  -9.514  -4.764   4.822
  241    H    ASN  30           HN       ASN  30  -8.853  -6.304   0.954
  242    HA   ASN  30           HA       ASN  30  -7.066  -6.247  -1.169
  243   1HB   ASN  30           HB2      ASN  30  -8.984  -7.943  -0.587
  244   2HB   ASN  30           HB1      ASN  30  -9.936  -6.967  -1.706
  245   1HD2  ASN  30           HD22     ASN  30  -8.577  -8.721  -4.430
  246   2HD2  ASN  30           HD21     ASN  30  -9.943  -8.032  -3.693
  247    H    ASP  31           HN       ASP  31  -9.827  -4.174  -0.630
  248    HA   ASP  31           HA       ASP  31  -8.979  -2.510  -2.896
  249   1HB   ASP  31           HB2      ASP  31 -11.168  -2.512  -3.991
  250   2HB   ASP  31           HB1      ASP  31 -10.525  -4.154  -3.932
  251    H    GLU  32           HN       GLU  32  -9.352  -2.313   0.131
  252    HA   GLU  32           HA       GLU  32 -11.606  -0.647   0.673
  253   1HB   GLU  32           HB2      GLU  32 -10.545  -1.395   2.609
  254   2HB   GLU  32           HB1      GLU  32  -8.935  -0.996   2.011
  255   1HG   GLU  32           HG2      GLU  32  -9.132   1.227   2.604
  256   2HG   GLU  32           HG1      GLU  32 -10.875   1.248   2.346
  257    H    THR  33           HN       THR  33  -8.328   0.695   0.855
  258    HA   THR  33           HA       THR  33  -9.250   3.249  -0.193
  259    HB   THR  33           HB       THR  33  -6.407   2.294   0.210
  260    HG1  THR  33           HG1      THR  33  -8.286   3.497   1.945
  261   1HG2  THR  33           HG23     THR  33  -6.840   4.354  -1.197
  262   2HG2  THR  33           HG22     THR  33  -7.523   5.098   0.248
  263   3HG2  THR  33           HG21     THR  33  -5.827   4.614   0.222
  264    H    CYS  34           HN       CYS  34  -7.673   0.404  -1.470
  265    HA   CYS  34           HA       CYS  34  -6.480   1.152  -3.846
  266   1HB   CYS  34           HB2      CYS  34  -7.168  -1.203  -2.926
  267   2HB   CYS  34           HB1      CYS  34  -8.628  -0.964  -3.884
  268    H    GLU  35           HN       GLU  35  -9.943   1.024  -3.155
  269    HA   GLU  35           HA       GLU  35 -10.599   2.138  -5.822
  270   1HB   GLU  35           HB2      GLU  35 -11.969   0.282  -4.960
  271   2HB   GLU  35           HB1      GLU  35 -12.398   1.251  -3.548
  272   1HG   GLU  35           HG2      GLU  35 -14.108   2.124  -4.718
  273   2HG   GLU  35           HG1      GLU  35 -12.939   2.858  -5.817
  274    H    GLN  36           HN       GLN  36 -11.467   2.923  -2.423
  275    HA   GLN  36           HA       GLN  36 -12.676   5.369  -2.725
  276   1HB   GLN  36           HB2      GLN  36 -12.125   4.298  -0.527
  277   2HB   GLN  36           HB1      GLN  36 -10.461   4.852  -0.717
  278   1HG   GLN  36           HG2      GLN  36 -11.216   7.182  -0.782
  279   2HG   GLN  36           HG1      GLN  36 -12.896   6.658  -0.669
  280   1HE2  GLN  36           HE22     GLN  36 -11.938   7.469   2.798
  281   2HE2  GLN  36           HE21     GLN  36 -12.249   8.308   1.355
  282    H    ARG  37           HN       ARG  37  -9.324   4.630  -3.285
  283    HA   ARG  37           HA       ARG  37  -8.719   7.473  -3.863
  284   1HB   ARG  37           HB2      ARG  37  -7.204   5.201  -2.873
  285   2HB   ARG  37           HB1      ARG  37  -6.421   5.915  -4.280
  286   1HG   ARG  37           HG2      ARG  37  -5.833   6.867  -1.940
  287   2HG   ARG  37           HG1      ARG  37  -6.176   8.005  -3.237
  288   1HD   ARG  37           HD2      ARG  37  -8.195   8.652  -2.327
  289   2HD   ARG  37           HD1      ARG  37  -8.480   7.077  -1.582
  290    HE   ARG  37           HE       ARG  37  -6.315   8.072  -0.181
  291   1HH1  ARG  37           HH21     ARG  37  -9.464   9.210  -1.027
  292   2HH1  ARG  37           HH22     ARG  37  -9.640  10.174   0.400
  293   1HH2  ARG  37           HH12     ARG  37  -6.535   9.324   1.684
  294   2HH2  ARG  37           HH11     ARG  37  -7.984  10.238   1.934
  295    H    ALA  38           HN       ALA  38  -8.556   4.214  -5.380
  296    HA   ALA  38           HA       ALA  38  -7.588   5.093  -7.908
  297   1HB   ALA  38           HB3      ALA  38  -9.362   2.772  -7.125
  298   2HB   ALA  38           HB2      ALA  38  -8.813   3.024  -8.783
  299   3HB   ALA  38           HB1      ALA  38  -7.638   2.741  -7.498
  300    H    ALA  39           HN       ALA  39 -10.997   4.341  -7.079
  301    HA   ALA  39           HA       ALA  39 -12.068   5.542  -9.441
  302   1HB   ALA  39           HB1      ALA  39 -13.270   4.910  -6.739
  303   2HB   ALA  39           HB3      ALA  39 -14.218   5.621  -8.045
  304   3HB   ALA  39           HB2      ALA  39 -13.481   4.033  -8.255
  305    H    ARG  40           HN       ARG  40 -13.003   6.836  -6.290
  306    HA   ARG  40           HA       ARG  40 -13.483   9.448  -7.033
  307   1HB   ARG  40           HB2      ARG  40 -13.025   8.076  -4.574
  308   2HB   ARG  40           HB1      ARG  40 -12.086   9.570  -4.533
  309   1HG   ARG  40           HG2      ARG  40 -14.236  10.163  -3.699
  310   2HG   ARG  40           HG1      ARG  40 -14.209  10.746  -5.365
  311   1HD   ARG  40           HD2      ARG  40 -15.138   8.232  -5.768
  312   2HD   ARG  40           HD1      ARG  40 -15.789   8.543  -4.158
  313    HE   ARG  40           HE       ARG  40 -16.434  10.829  -5.581
  314   1HH1  ARG  40           HH21     ARG  40 -16.863   7.426  -5.988
  315   2HH1  ARG  40           HH22     ARG  40 -18.345   7.588  -6.869
  316   1HH2  ARG  40           HH12     ARG  40 -18.364  11.052  -6.729
  317   2HH2  ARG  40           HH11     ARG  40 -19.193   9.638  -7.289
  318    H    ILE  41           HN       ILE  41 -12.051  10.283  -8.594
  319    HA   ILE  41           HA       ILE  41  -9.412  11.125  -7.515
  320    HB   ILE  41           HB       ILE  41  -9.877   9.576 -10.072
  321   1HG1  ILE  41           HG12     ILE  41  -7.955   9.294  -7.741
  322   2HG1  ILE  41           HG11     ILE  41  -9.347   8.262  -8.072
  323   1HG2  ILE  41           HG23     ILE  41  -7.663  11.483  -9.337
  324   2HG2  ILE  41           HG22     ILE  41  -7.347  10.109 -10.393
  325   3HG2  ILE  41           HG21     ILE  41  -8.523  11.333 -10.868
  326   1HD1  ILE  41           HD12     ILE  41  -8.308   7.665 -10.276
  327   2HD1  ILE  41           HD11     ILE  41  -6.877   8.576  -9.800
  328   3HD1  ILE  41           HD13     ILE  41  -7.352   7.142  -8.891
  329    H    SER  42           HN       SER  42 -10.625  13.199  -7.409
  330    HA   SER  42           HA       SER  42 -11.704  14.447  -9.763
  331   1HB   SER  42           HB2      SER  42 -11.259  15.156  -7.001
  332   2HB   SER  42           HB1      SER  42 -10.705  16.466  -8.040
  333    HG   SER  42           HG       SER  42 -13.207  15.727  -7.435
  334    H    LEU  43           HN       LEU  43  -8.583  14.894  -8.084
  335    HA   LEU  43           HA       LEU  43  -7.412  15.705 -10.712
  336   1HB   LEU  43           HB2      LEU  43  -5.948  17.283  -9.479
  337   2HB   LEU  43           HB1      LEU  43  -7.651  17.697  -9.275
  338    HG   LEU  43           HG       LEU  43  -7.468  16.134  -7.159
  339   1HD1  LEU  43           HD11     LEU  43  -4.663  16.579  -8.011
  340   2HD1  LEU  43           HD13     LEU  43  -4.987  16.827  -6.295
  341   3HD1  LEU  43           HD12     LEU  43  -5.354  15.274  -7.047
  342   1HD2  LEU  43           HD22     LEU  43  -7.213  18.930  -7.645
  343   2HD2  LEU  43           HD21     LEU  43  -7.781  18.137  -6.176
  344   3HD2  LEU  43           HD23     LEU  43  -6.068  18.513  -6.369
  345    H    GLY  44           HN       GLY  44  -7.551  13.243  -8.766
  346   1HA   GLY  44           HA2      GLY  44  -6.071  11.617  -7.931
  347   2HA   GLY  44           HA1      GLY  44  -5.271  11.872  -9.479
  348    HA   PRO  45           HA       PRO  45  -3.339  14.744  -5.804
  349   1HB   PRO  45           HB2      PRO  45  -3.120  12.526  -3.929
  350   2HB   PRO  45           HB1      PRO  45  -3.764  14.150  -3.660
  351   1HG   PRO  45           HG2      PRO  45  -5.227  11.728  -3.911
  352   2HG   PRO  45           HG1      PRO  45  -5.871  13.365  -3.749
  353   1HD   PRO  45           HD2      PRO  45  -6.033  11.683  -6.022
  354   2HD   PRO  45           HD1      PRO  45  -6.516  13.380  -5.912
  355    H    ARG  46           HN       ARG  46  -2.695  11.231  -5.516
  356    HA   ARG  46           HA       ARG  46  -0.506  11.154  -7.323
  357   1HB   ARG  46           HB2      ARG  46   0.399  12.751  -5.531
  358   2HB   ARG  46           HB1      ARG  46   0.438  11.352  -4.458
  359   1HG   ARG  46           HG2      ARG  46   2.597  11.358  -5.386
  360   2HG   ARG  46           HG1      ARG  46   1.738  10.194  -6.395
  361   1HD   ARG  46           HD2      ARG  46   2.647  11.493  -8.065
  362   2HD   ARG  46           HD1      ARG  46   1.168  12.413  -7.785
  363    HE   ARG  46           HE       ARG  46   2.977  13.524  -6.008
  364   1HH1  ARG  46           HH21     ARG  46   2.905  12.840  -9.394
  365   2HH1  ARG  46           HH22     ARG  46   3.922  14.176  -9.816
  366   1HH2  ARG  46           HH12     ARG  46   4.304  15.268  -6.549
  367   2HH2  ARG  46           HH11     ARG  46   4.713  15.549  -8.209
  368    H    CYS  47           HN       CYS  47  -1.428   9.971  -4.062
  369    HA   CYS  47           HA       CYS  47  -0.347   7.377  -4.419
  370   1HB   CYS  47           HB2      CYS  47  -2.828   7.918  -2.771
  371   2HB   CYS  47           HB1      CYS  47  -1.648   6.661  -2.519
  372    H    ILE  48           HN       ILE  48  -3.288   8.798  -5.627
  373    HA   ILE  48           HA       ILE  48  -4.570   6.293  -6.147
  374    HB   ILE  48           HB       ILE  48  -5.888   7.669  -7.851
  375   1HG1  ILE  48           HG12     ILE  48  -5.280  10.249  -7.006
  376   2HG1  ILE  48           HG11     ILE  48  -3.702   9.522  -7.267
  377   1HG2  ILE  48           HG21     ILE  48  -6.467   7.375  -5.404
  378   2HG2  ILE  48           HG23     ILE  48  -5.685   8.926  -5.109
  379   3HG2  ILE  48           HG22     ILE  48  -7.109   8.839  -6.145
  380   1HD1  ILE  48           HD12     ILE  48  -4.953   8.623  -9.477
  381   2HD1  ILE  48           HD11     ILE  48  -5.855  10.117  -9.227
  382   3HD1  ILE  48           HD13     ILE  48  -4.104  10.168  -9.430
  383    H    LYS  49           HN       LYS  49  -2.888   8.471  -8.506
  384    HA   LYS  49           HA       LYS  49  -2.849   6.571 -10.602
  385   1HB   LYS  49           HB2      LYS  49  -1.646   9.115 -10.060
  386   2HB   LYS  49           HB1      LYS  49  -0.401   8.032 -10.686
  387   1HG   LYS  49           HG2      LYS  49  -2.773   7.598 -12.213
  388   2HG   LYS  49           HG1      LYS  49  -2.494   9.339 -12.135
  389   1HD   LYS  49           HD2      LYS  49  -0.145   7.570 -12.674
  390   2HD   LYS  49           HD1      LYS  49  -1.298   7.835 -13.983
  391   1HE   LYS  49           HE2      LYS  49  -0.601   9.962 -14.298
  392   2HE   LYS  49           HE1      LYS  49  -0.626  10.306 -12.569
  393   1HZ   LYS  49           HZ1      LYS  49   1.483   8.977 -12.437
  394   2HZ   LYS  49           HZ3      LYS  49   1.533   9.017 -14.133
  395   3HZ   LYS  49           HZ2      LYS  49   1.607  10.465 -13.249
  396    H    ALA  50           HN       ALA  50  -0.133   7.332  -8.375
  397    HA   ALA  50           HA       ALA  50   1.582   5.209  -9.095
  398   1HB   ALA  50           HB1      ALA  50   2.162   6.999  -7.446
  399   2HB   ALA  50           HB3      ALA  50   1.096   6.212  -6.280
  400   3HB   ALA  50           HB2      ALA  50   2.532   5.375  -6.863
  401    H    PHE  51           HN       PHE  51  -0.505   5.250  -6.280
  402    HA   PHE  51           HA       PHE  51  -0.203   2.476  -5.884
  403   1HB   PHE  51           HB2      PHE  51  -1.102   2.940  -3.934
  404   2HB   PHE  51           HB1      PHE  51  -1.080   4.608  -4.393
  405    HD1  PHE  51           HD1      PHE  51  -3.454   4.275  -6.461
  406    HD2  PHE  51           HD2      PHE  51  -2.900   3.132  -2.385
  407    HE1  PHE  51           HE1      PHE  51  -5.896   4.274  -6.128
  408    HE2  PHE  51           HE2      PHE  51  -5.346   3.148  -2.047
  409    HZ   PHE  51           HZ       PHE  51  -6.846   3.714  -3.927
  410    H    THR  52           HN       THR  52  -1.965   3.975  -8.270
  411    HA   THR  52           HA       THR  52  -4.286   2.163  -8.223
  412    HB   THR  52           HB       THR  52  -3.365   4.402 -10.011
  413    HG1  THR  52           HG1      THR  52  -5.425   5.112  -9.558
  414   1HG2  THR  52           HG23     THR  52  -5.403   2.293 -10.790
  415   2HG2  THR  52           HG22     THR  52  -5.165   3.825 -11.632
  416   3HG2  THR  52           HG21     THR  52  -3.877   2.620 -11.610
  417    H    GLU  53           HN       GLU  53  -1.331   2.675 -10.128
  418    HA   GLU  53           HA       GLU  53  -1.783   0.215 -11.663
  419   1HB   GLU  53           HB2      GLU  53  -0.208   2.441 -12.045
  420   2HB   GLU  53           HB1      GLU  53   0.974   1.255 -11.493
  421   1HG   GLU  53           HG2      GLU  53   0.695   1.223 -13.968
  422   2HG   GLU  53           HG1      GLU  53   0.251  -0.316 -13.228
  423    H    CYS  54           HN       CYS  54  -0.179   1.208  -8.737
  424    HA   CYS  54           HA       CYS  54   1.324  -1.257  -8.350
  425   1HB   CYS  54           HB2      CYS  54   2.280   0.559  -7.259
  426   2HB   CYS  54           HB1      CYS  54   0.723   1.218  -6.740
  427    H    CYS  55           HN       CYS  55  -1.761   0.036  -7.193
  428    HA   CYS  55           HA       CYS  55  -2.263  -2.231  -5.442
  429   1HB   CYS  55           HB2      CYS  55  -3.261   0.089  -5.136
  430   2HB   CYS  55           HB1      CYS  55  -4.333  -0.268  -6.485
  431    H    VAL  56           HN       VAL  56  -3.211  -1.281  -8.721
  432    HA   VAL  56           HA       VAL  56  -5.042  -3.463  -9.122
  433    HB   VAL  56           HB       VAL  56  -4.757  -2.979 -11.540
  434   1HG1  VAL  56           HG12     VAL  56  -5.155  -0.736  -9.574
  435   2HG1  VAL  56           HG11     VAL  56  -5.251  -0.424 -11.308
  436   3HG1  VAL  56           HG13     VAL  56  -6.356  -1.575 -10.555
  437   1HG2  VAL  56           HG22     VAL  56  -2.462  -1.347 -10.472
  438   2HG2  VAL  56           HG21     VAL  56  -2.478  -2.474 -11.828
  439   3HG2  VAL  56           HG23     VAL  56  -3.251  -0.898 -11.983
  440    H    VAL  57           HN       VAL  57  -1.593  -3.013 -10.066
  441    HA   VAL  57           HA       VAL  57  -1.215  -5.625 -11.110
  442    HB   VAL  57           HB       VAL  57   0.561  -4.028 -11.370
  443   1HG1  VAL  57           HG11     VAL  57  -0.165  -3.132  -8.895
  444   2HG1  VAL  57           HG13     VAL  57   1.352  -3.949  -8.527
  445   3HG1  VAL  57           HG12     VAL  57   1.309  -2.655  -9.723
  446   1HG2  VAL  57           HG22     VAL  57   1.051  -6.559 -10.687
  447   2HG2  VAL  57           HG21     VAL  57   2.368  -5.405 -10.903
  448   3HG2  VAL  57           HG23     VAL  57   1.787  -5.788  -9.281
  449    H    ALA  58           HN       ALA  58  -0.740  -4.449  -7.758
  450    HA   ALA  58           HA       ALA  58   0.052  -6.808  -6.522
  451   1HB   ALA  58           HB1      ALA  58  -0.516  -4.406  -5.560
  452   2HB   ALA  58           HB3      ALA  58  -2.060  -5.169  -5.178
  453   3HB   ALA  58           HB2      ALA  58  -0.564  -5.825  -4.514
  454    H    SER  59           HN       SER  59  -3.352  -5.762  -6.823
  455    HA   SER  59           HA       SER  59  -4.416  -8.284  -5.948
  456   1HB   SER  59           HB2      SER  59  -6.177  -6.888  -7.787
  457   2HB   SER  59           HB1      SER  59  -6.379  -7.185  -6.061
  458    HG   SER  59           HG       SER  59  -6.167  -5.033  -6.170
  459    H    GLN  60           HN       GLN  60  -4.804  -6.891  -9.186
  460    HA   GLN  60           HA       GLN  60  -5.642  -8.917 -10.705
  461   1HB   GLN  60           HB2      GLN  60  -4.749  -6.681 -11.525
  462   2HB   GLN  60           HB1      GLN  60  -3.153  -7.430 -11.562
  463   1HG   GLN  60           HG2      GLN  60  -3.731  -8.029 -13.679
  464   2HG   GLN  60           HG1      GLN  60  -4.650  -9.305 -12.878
  465   1HE2  GLN  60           HE22     GLN  60  -7.222  -7.786 -14.943
  466   2HE2  GLN  60           HE21     GLN  60  -5.967  -8.924 -15.037
  467    H    LEU  61           HN       LEU  61  -2.072  -8.668 -10.187
  468    HA   LEU  61           HA       LEU  61  -1.694 -11.356 -11.166
  469   1HB   LEU  61           HB2      LEU  61   0.225 -10.235  -9.191
  470   2HB   LEU  61           HB1      LEU  61   0.530 -11.170 -10.643
  471    HG   LEU  61           HG       LEU  61   0.250  -8.272 -10.275
  472   1HD1  LEU  61           HD12     LEU  61   2.341  -9.652 -10.823
  473   2HD1  LEU  61           HD11     LEU  61   1.671  -9.789 -12.448
  474   3HD1  LEU  61           HD13     LEU  61   2.060  -8.201 -11.786
  475   1HD2  LEU  61           HD22     LEU  61  -1.219  -9.754 -12.368
  476   2HD2  LEU  61           HD21     LEU  61  -1.429  -8.089 -11.828
  477   3HD2  LEU  61           HD23     LEU  61  -0.167  -8.485 -12.992
  478    H    ARG  62           HN       ARG  62  -1.712 -10.014  -7.858
  479    HA   ARG  62           HA       ARG  62  -1.249 -12.190  -6.307
  480   1HB   ARG  62           HB2      ARG  62  -3.182  -9.962  -6.063
  481   2HB   ARG  62           HB1      ARG  62  -3.550 -11.368  -5.066
  482   1HG   ARG  62           HG2      ARG  62  -1.014 -11.267  -4.432
  483   2HG   ARG  62           HG1      ARG  62  -1.112  -9.607  -5.011
  484   1HD   ARG  62           HD2      ARG  62  -2.293  -8.932  -3.208
  485   2HD   ARG  62           HD1      ARG  62  -3.352 -10.339  -3.263
  486    HE   ARG  62           HE       ARG  62  -1.219  -9.971  -1.434
  487   1HH1  ARG  62           HH21     ARG  62  -2.379 -12.375  -3.643
  488   2HH1  ARG  62           HH22     ARG  62  -1.485 -13.656  -2.899
  489   1HH2  ARG  62           HH12     ARG  62  -0.080 -11.640  -0.461
  490   2HH2  ARG  62           HH11     ARG  62  -0.196 -13.245  -1.102
  491    H    ALA  63           HN       ALA  63  -4.171 -11.740  -8.259
  492    HA   ALA  63           HA       ALA  63  -5.555 -14.083  -7.347
  493   1HB   ALA  63           HB1      ALA  63  -6.111 -12.089  -9.164
  494   2HB   ALA  63           HB3      ALA  63  -5.793 -13.460 -10.226
  495   3HB   ALA  63           HB2      ALA  63  -7.053 -13.571  -8.997
  496    H    ASN  64           HN       ASN  64  -3.545 -13.569 -10.262
  497    HA   ASN  64           HA       ASN  64  -2.512 -16.349  -9.926
  498   1HB   ASN  64           HB2      ASN  64  -4.258 -15.428 -12.029
  499   2HB   ASN  64           HB1      ASN  64  -2.693 -15.873 -12.710
  500   1HD2  ASN  64           HD22     ASN  64  -5.192 -18.803 -11.729
  501   2HD2  ASN  64           HD21     ASN  64  -5.655 -17.191 -11.989
  502    H    ILE  65           HN       ILE  65  -0.855 -14.516  -9.048
  503    HA   ILE  65           HA       ILE  65   0.639 -12.973 -10.927
  504    HB   ILE  65           HB       ILE  65   2.360 -14.088  -8.830
  505   1HG1  ILE  65           HG12     ILE  65  -0.282 -12.835  -8.066
  506   2HG1  ILE  65           HG11     ILE  65   0.328 -14.411  -7.563
  507   1HG2  ILE  65           HG21     ILE  65   2.142 -11.733 -10.241
  508   2HG2  ILE  65           HG23     ILE  65   1.475 -11.280  -8.675
  509   3HG2  ILE  65           HG22     ILE  65   3.101 -11.932  -8.780
  510   1HD1  ILE  65           HD12     ILE  65   2.309 -12.483  -6.885
  511   2HD1  ILE  65           HD11     ILE  65   0.758 -11.855  -6.327
  512   3HD1  ILE  65           HD13     ILE  65   1.313 -13.439  -5.788
  513    H    SER  66           HN       SER  66   1.041 -14.162 -12.809
  514    HA   SER  66           HA       SER  66   3.454 -15.668 -12.918
  515   1HB   SER  66           HB2      SER  66   1.221 -17.193 -12.036
  516   2HB   SER  66           HB1      SER  66   1.566 -17.692 -13.690
  517    HG   SER  66           HG       SER  66   3.058 -18.832 -12.714
  518    H    HIS  67           HN       HIS  67   0.304 -14.958 -14.333
  519    HA   HIS  67           HA       HIS  67   1.002 -15.685 -17.033
  520   1HB   HIS  67           HB2      HIS  67  -1.346 -15.359 -16.180
  521   2HB   HIS  67           HB1      HIS  67  -1.032 -13.624 -16.144
  522    HD1  HIS  67           HD1      HIS  67  -1.022 -12.370 -18.370
  523    HD2  HIS  67           HD2      HIS  67  -1.395 -16.495 -18.843
  524    HE1  HIS  67           HE1      HIS  67  -1.592 -12.763 -20.806
  525    H    LYS  68           HN       LYS  68   0.486 -12.417 -15.702
  526    HA   LYS  68           HA       LYS  68   2.900 -11.504 -17.180
  527   1HB   LYS  68           HB2      LYS  68   1.648  -9.533 -18.029
  528   2HB   LYS  68           HB1      LYS  68   0.997 -11.044 -18.666
  529   1HG   LYS  68           HG2      LYS  68  -1.017 -10.476 -17.843
  530   2HG   LYS  68           HG1      LYS  68  -0.340 -10.570 -16.216
  531   1HD   LYS  68           HD2      LYS  68  -0.399  -8.331 -15.992
  532   2HD   LYS  68           HD1      LYS  68   0.471  -8.108 -17.511
  533   1HE   LYS  68           HE2      LYS  68  -1.547  -7.101 -18.047
  534   2HE   LYS  68           HE1      LYS  68  -1.877  -8.755 -18.564
  535   1HZ   LYS  68           HZ3      LYS  68  -2.453  -7.926 -15.798
  536   2HZ   LYS  68           HZ2      LYS  68  -3.552  -7.559 -17.040
  537   3HZ   LYS  68           HZ1      LYS  68  -3.151  -9.176 -16.707
  538    H    ASP  69           HN       ASP  69   2.941  -8.884 -16.588
  539    HA   ASP  69           HA       ASP  69   2.259  -8.553 -13.724
  540   1HB   ASP  69           HB2      ASP  69   4.501  -9.511 -13.648
  541   2HB   ASP  69           HB1      ASP  69   5.076  -8.328 -14.825
  542    H    MET  70           HN       MET  70   2.495  -6.278 -13.034
  543    HA   MET  70           HA       MET  70   2.643  -4.356 -15.311
  544   1HB   MET  70           HB2      MET  70   0.249  -5.093 -14.256
  545   2HB   MET  70           HB1      MET  70   0.661  -3.755 -13.187
  546   1HG   MET  70           HG2      MET  70  -0.191  -2.434 -14.822
  547   2HG   MET  70           HG1      MET  70   1.335  -2.739 -15.654
  548   1HE   MET  70           HE3      MET  70  -2.081  -2.421 -15.950
  549   2HE   MET  70           HE2      MET  70  -1.213  -1.956 -17.411
  550   3HE   MET  70           HE1      MET  70  -2.471  -3.186 -17.497
  551    H    CYS  71           HN       CYS  71   1.751  -2.279 -13.228
  552    HA   CYS  71           HA       CYS  71   4.340  -1.390 -12.453
  553   1HB   CYS  71           HB2      CYS  71   1.527  -0.657 -11.753
  554   2HB   CYS  71           HB1      CYS  71   2.815  -0.030 -10.721
  555   1H    CYS  72           HN3      CYS  72   3.652   4.352 -12.322
  556   2H    CYS  72           HN2      CYS  72   2.247   3.396 -12.324
  557   3H    CYS  72           HN1      CYS  72   2.185   5.001 -11.772
  558    HA   CYS  72           HA       CYS  72   2.165   3.580  -9.873
  559   1HB   CYS  72           HB2      CYS  72   4.594   2.346  -9.755
  560   2HB   CYS  72           HB1      CYS  72   3.078   1.565 -10.160
  561    H    LEU  73           HN       LEU  73   5.601   3.841 -10.592
  562    HA   LEU  73           HA       LEU  73   6.446   5.116  -8.344
  563   1HB   LEU  73           HB2      LEU  73   8.208   6.293  -9.800
  564   2HB   LEU  73           HB1      LEU  73   8.143   4.538  -9.877
  565    HG   LEU  73           HG       LEU  73   8.298   5.946 -12.090
  566   1HD1  LEU  73           HD12     LEU  73   7.277   3.395 -11.414
  567   2HD1  LEU  73           HD11     LEU  73   6.202   4.060 -12.645
  568   3HD1  LEU  73           HD13     LEU  73   7.932   3.920 -12.966
  569   1HD2  LEU  73           HD21     LEU  73   6.312   7.369 -11.500
  570   2HD2  LEU  73           HD23     LEU  73   6.165   6.557 -13.057
  571   3HD2  LEU  73           HD22     LEU  73   5.297   5.936 -11.656
  572    H    GLY  74           HN       GLY  74   7.038   7.428  -7.903
  573   1HA   GLY  74           HA2      GLY  74   5.273   9.395  -9.268
  574   2HA   GLY  74           HA1      GLY  74   5.137   9.224  -7.518
  575   1HN   DAR  75           HN       ARG  75   5.862  11.683  -8.507
  576    HA   DAR  75           HA       ARG  75   8.658  12.130  -8.839
  577   1HB   DAR  75           HB1      ARG  75   8.314  11.196  -6.355
  578   2HB   DAR  75           HB2      ARG  75   7.917  12.886  -6.046
  579   1HG   DAR  75           HG1      ARG  75  10.062  13.589  -7.004
  580   2HG   DAR  75           HG2      ARG  75  10.450  11.915  -7.404
  581   1HD   DAR  75           HD1      ARG  75  11.089  11.443  -5.277
  582   2HD   DAR  75           HD2      ARG  75   9.698  12.284  -4.598
  583    HNE  DAR  75           HE       ARG  75  11.158  14.014  -4.090
  584   1HH1  DAR  75           HH11     ARG  75  12.649  15.610  -4.602
  585   2HH1  DAR  75           HH12     ARG  75  13.591  15.471  -6.049
  586   1HH2  DAR  75           HH21     ARG  75  12.187  12.457  -7.008
  587   2HH2  DAR  75           HH22     ARG  75  13.321  13.699  -7.407
   
  No H/Q in entry =         587
  Start of MODEL   14
    1   1H    MET   1           HN1      MET   1  11.083 -14.200   3.029
    2   2H    MET   1           HN3      MET   1  11.692 -12.634   3.254
    3   3H    MET   1           HN2      MET   1  12.750 -13.963   3.266
    4    HA   MET   1           HA       MET   1  12.305 -14.499   5.383
    5   1HB   MET   1           HB2      MET   1  12.677 -11.916   5.180
    6   2HB   MET   1           HB1      MET   1  10.967 -11.812   5.602
    7   1HG   MET   1           HG2      MET   1  11.865 -11.798   7.727
    8   2HG   MET   1           HG1      MET   1  11.721 -13.540   7.498
    9   1HE   MET   1           HE1      MET   1  12.956 -14.136   9.028
   10   2HE   MET   1           HE3      MET   1  14.439 -14.892   8.431
   11   3HE   MET   1           HE2      MET   1  14.528 -13.532   9.547
   12    H    LEU   2           HN       LEU   2   9.492 -13.390   3.624
   13    HA   LEU   2           HA       LEU   2   7.790 -15.401   4.687
   14   1HB   LEU   2           HB2      LEU   2   6.260 -13.699   5.958
   15   2HB   LEU   2           HB1      LEU   2   7.664 -14.370   6.788
   16    HG   LEU   2           HG       LEU   2   8.950 -12.323   5.901
   17   1HD1  LEU   2           HD12     LEU   2   6.363 -11.878   4.739
   18   2HD1  LEU   2           HD11     LEU   2   6.704 -10.575   5.877
   19   3HD1  LEU   2           HD13     LEU   2   7.826 -10.910   4.559
   20   1HD2  LEU   2           HD21     LEU   2   7.340 -12.743   8.195
   21   2HD2  LEU   2           HD23     LEU   2   8.699 -11.630   8.030
   22   3HD2  LEU   2           HD22     LEU   2   7.061 -11.077   7.688
   23    H    GLN   3           HN       GLN   3   8.105 -12.209   3.244
   24    HA   GLN   3           HA       GLN   3   6.259 -12.942   1.119
   25   1HB   GLN   3           HB2      GLN   3   5.034 -11.908   3.352
   26   2HB   GLN   3           HB1      GLN   3   5.311 -10.458   2.387
   27   1HG   GLN   3           HG2      GLN   3   3.781 -11.064   0.828
   28   2HG   GLN   3           HG1      GLN   3   4.327 -12.741   0.819
   29   1HE2  GLN   3           HE22     GLN   3   2.192 -13.552   3.710
   30   2HE2  GLN   3           HE21     GLN   3   3.812 -13.761   3.245
   31    H    LYS   4           HN       LYS   4   7.441 -12.179  -0.570
   32    HA   LYS   4           HA       LYS   4   8.401  -9.358  -0.424
   33   1HB   LYS   4           HB2      LYS   4  10.068 -11.421  -1.824
   34   2HB   LYS   4           HB1      LYS   4  10.562  -9.887  -1.109
   35   1HG   LYS   4           HG2      LYS   4  11.327 -11.220   0.579
   36   2HG   LYS   4           HG1      LYS   4   9.644 -11.176   1.100
   37   1HD   LYS   4           HD2      LYS   4   9.762 -13.442   0.976
   38   2HD   LYS   4           HD1      LYS   4   9.594 -13.193  -0.763
   39   1HE   LYS   4           HE2      LYS   4  12.073 -13.755   0.836
   40   2HE   LYS   4           HE1      LYS   4  11.526 -14.498  -0.667
   41   1HZ   LYS   4           HZ2      LYS   4  11.818 -12.101  -1.578
   42   2HZ   LYS   4           HZ1      LYS   4  12.860 -11.915  -0.248
   43   3HZ   LYS   4           HZ3      LYS   4  13.173 -13.112  -1.409
   44    H    LYS   5           HN       LYS   5   6.124  -9.627  -1.672
   45    HA   LYS   5           HA       LYS   5   6.725 -10.130  -4.553
   46   1HB   LYS   5           HB2      LYS   5   4.075 -10.018  -3.082
   47   2HB   LYS   5           HB1      LYS   5   4.249 -10.268  -4.820
   48   1HG   LYS   5           HG2      LYS   5   5.348 -12.062  -2.635
   49   2HG   LYS   5           HG1      LYS   5   3.991 -12.429  -3.700
   50   1HD   LYS   5           HD2      LYS   5   6.872 -11.996  -4.541
   51   2HD   LYS   5           HD1      LYS   5   5.994 -13.526  -4.557
   52   1HE   LYS   5           HE2      LYS   5   4.291 -12.087  -6.040
   53   2HE   LYS   5           HE1      LYS   5   5.767 -11.191  -6.401
   54   1HZ   LYS   5           HZ3      LYS   5   5.908 -14.104  -6.499
   55   2HZ   LYS   5           HZ2      LYS   5   5.061 -13.328  -7.751
   56   3HZ   LYS   5           HZ1      LYS   5   6.692 -12.948  -7.460
   57    H    ILE   6           HN       ILE   6   3.942  -8.245  -3.646
   58    HA   ILE   6           HA       ILE   6   4.974  -5.980  -5.176
   59    HB   ILE   6           HB       ILE   6   2.379  -6.702  -3.860
   60   1HG1  ILE   6           HG12     ILE   6   3.110  -7.165  -6.301
   61   2HG1  ILE   6           HG11     ILE   6   1.517  -6.456  -6.048
   62   1HG2  ILE   6           HG22     ILE   6   3.187  -3.892  -4.660
   63   2HG2  ILE   6           HG21     ILE   6   1.518  -4.401  -4.407
   64   3HG2  ILE   6           HG23     ILE   6   2.662  -4.431  -3.066
   65   1HD1  ILE   6           HD12     ILE   6   3.862  -4.624  -6.416
   66   2HD1  ILE   6           HD11     ILE   6   3.177  -5.417  -7.833
   67   3HD1  ILE   6           HD13     ILE   6   2.169  -4.368  -6.836
   68    H    GLU   7           HN       GLU   7   5.383  -7.014  -2.024
   69    HA   GLU   7           HA       GLU   7   5.092  -4.728  -0.416
   70   1HB   GLU   7           HB2      GLU   7   6.163  -7.242  -0.065
   71   2HB   GLU   7           HB1      GLU   7   7.587  -6.208   0.076
   72   1HG   GLU   7           HG2      GLU   7   6.764  -5.094   1.941
   73   2HG   GLU   7           HG1      GLU   7   5.082  -5.416   1.520
   74    H    GLU   8           HN       GLU   8   8.297  -5.732  -1.673
   75    HA   GLU   8           HA       GLU   8   9.341  -3.055  -1.412
   76   1HB   GLU   8           HB2      GLU   8  11.251  -3.963  -2.807
   77   2HB   GLU   8           HB1      GLU   8  10.887  -4.929  -1.377
   78   1HG   GLU   8           HG2      GLU   8   9.680  -6.553  -2.683
   79   2HG   GLU   8           HG1      GLU   8   9.744  -5.527  -4.117
   80    H    ILE   9           HN       ILE   9   7.697  -4.774  -4.013
   81    HA   ILE   9           HA       ILE   9   8.383  -3.088  -6.189
   82    HB   ILE   9           HB       ILE   9   5.674  -4.296  -5.512
   83   1HG1  ILE   9           HG12     ILE   9   7.918  -5.268  -7.314
   84   2HG1  ILE   9           HG11     ILE   9   7.517  -5.944  -5.735
   85   1HG2  ILE   9           HG23     ILE   9   5.693  -2.387  -7.191
   86   2HG2  ILE   9           HG22     ILE   9   6.716  -3.400  -8.211
   87   3HG2  ILE   9           HG21     ILE   9   5.078  -3.921  -7.809
   88   1HD1  ILE   9           HD13     ILE   9   5.137  -5.797  -7.353
   89   2HD1  ILE   9           HD12     ILE   9   6.400  -6.651  -8.238
   90   3HD1  ILE   9           HD11     ILE   9   5.902  -7.218  -6.644
   91    H    ALA  10           HN       ALA  10   6.407  -2.666  -3.373
   92    HA   ALA  10           HA       ALA  10   5.409  -0.015  -4.203
   93   1HB   ALA  10           HB3      ALA  10   5.161  -1.543  -1.586
   94   2HB   ALA  10           HB2      ALA  10   4.351  -0.021  -1.950
   95   3HB   ALA  10           HB1      ALA  10   3.939  -1.476  -2.855
   96    H    ALA  11           HN       ALA  11   7.859  -1.531  -2.214
   97    HA   ALA  11           HA       ALA  11   8.689   0.656  -0.647
   98   1HB   ALA  11           HB1      ALA  11  10.372  -1.549  -1.839
   99   2HB   ALA  11           HB3      ALA  11  10.895  -0.462  -0.552
  100   3HB   ALA  11           HB2      ALA  11   9.564  -1.586  -0.272
  101    H    LYS  12           HN       LYS  12   9.164  -0.025  -4.034
  102    HA   LYS  12           HA       LYS  12  11.302   1.966  -4.339
  103   1HB   LYS  12           HB2      LYS  12   9.848   0.087  -6.175
  104   2HB   LYS  12           HB1      LYS  12  10.784   1.420  -6.852
  105   1HG   LYS  12           HG2      LYS  12  12.629   0.154  -6.613
  106   2HG   LYS  12           HG1      LYS  12  12.426   0.291  -4.866
  107   1HD   LYS  12           HD2      LYS  12  12.417  -2.028  -5.169
  108   2HD   LYS  12           HD1      LYS  12  10.693  -1.653  -5.187
  109   1HE   LYS  12           HE2      LYS  12  12.356  -1.759  -7.710
  110   2HE   LYS  12           HE1      LYS  12  11.516  -3.170  -7.068
  111   1HZ   LYS  12           HZ3      LYS  12   9.480  -1.663  -7.045
  112   2HZ   LYS  12           HZ2      LYS  12  10.367  -0.641  -8.073
  113   3HZ   LYS  12           HZ1      LYS  12  10.014  -2.232  -8.551
  114    H    TYR  13           HN       TYR  13   7.857   1.988  -4.401
  115    HA   TYR  13           HA       TYR  13   7.444   4.099  -6.291
  116   1HB   TYR  13           HB2      TYR  13   5.846   3.128  -3.902
  117   2HB   TYR  13           HB1      TYR  13   5.317   4.510  -4.846
  118    HD1  TYR  13           HD1      TYR  13   6.995   1.374  -5.890
  119    HD2  TYR  13           HD2      TYR  13   3.422   3.769  -6.187
  120    HE1  TYR  13           HE1      TYR  13   6.106  -0.169  -7.595
  121    HE2  TYR  13           HE2      TYR  13   2.573   2.238  -7.902
  122    HH   TYR  13           HH       TYR  13   3.008  -0.357  -8.441
  123    H    LYS  14           HN       LYS  14   8.970   5.671  -6.046
  124    HA   LYS  14           HA       LYS  14  10.464   7.005  -4.579
  125   1HB   LYS  14           HB2      LYS  14   8.323   8.104  -6.098
  126   2HB   LYS  14           HB1      LYS  14   8.517   9.082  -4.643
  127   1HG   LYS  14           HG2      LYS  14  10.045  10.050  -6.150
  128   2HG   LYS  14           HG1      LYS  14  11.055   8.983  -5.175
  129   1HD   LYS  14           HD2      LYS  14  10.088   7.354  -7.238
  130   2HD   LYS  14           HD1      LYS  14  10.502   8.879  -8.024
  131   1HE   LYS  14           HE2      LYS  14  12.747   8.743  -7.409
  132   2HE   LYS  14           HE1      LYS  14  12.412   7.678  -6.044
  133   1HZ   LYS  14           HZ2      LYS  14  11.803   5.938  -7.652
  134   2HZ   LYS  14           HZ1      LYS  14  12.273   6.964  -8.922
  135   3HZ   LYS  14           HZ3      LYS  14  13.424   6.425  -7.799
  136    H    HIS  15           HN       HIS  15  10.835   6.788  -2.453
  137    HA   HIS  15           HA       HIS  15   8.953   6.503  -0.386
  138   1HB   HIS  15           HB2      HIS  15  10.781   7.237   1.135
  139   2HB   HIS  15           HB1      HIS  15  11.334   6.055  -0.049
  140    HD1  HIS  15           HD1      HIS  15  13.234   8.174   1.314
  141    HD2  HIS  15           HD2      HIS  15  11.512   8.582  -2.462
  142    HE1  HIS  15           HE1      HIS  15  14.691   9.798   0.032
  143    H    SER  16           HN       SER  16   9.849   9.356  -2.137
  144    HA   SER  16           HA       SER  16   9.423  11.457  -0.391
  145   1HB   SER  16           HB2      SER  16   9.625  11.305  -3.075
  146   2HB   SER  16           HB1      SER  16   7.897  11.626  -2.940
  147    HG   SER  16           HG       SER  16  10.034  13.262  -2.490
  148    H    VAL  17           HN       VAL  17   6.838   9.737  -2.143
  149    HA   VAL  17           HA       VAL  17   5.065   9.868   0.165
  150    HB   VAL  17           HB       VAL  17   3.314  11.126  -1.382
  151   1HG1  VAL  17           HG12     VAL  17   4.748  11.783   0.843
  152   2HG1  VAL  17           HG11     VAL  17   5.276  13.043  -0.272
  153   3HG1  VAL  17           HG13     VAL  17   3.561  12.848   0.092
  154   1HG2  VAL  17           HG22     VAL  17   6.022  12.035  -2.395
  155   2HG2  VAL  17           HG21     VAL  17   4.688  11.379  -3.344
  156   3HG2  VAL  17           HG23     VAL  17   4.547  12.977  -2.611
  157    H    VAL  18           HN       VAL  18   5.338   9.445  -3.342
  158    HA   VAL  18           HA       VAL  18   3.106   7.818  -3.844
  159    HB   VAL  18           HB       VAL  18   4.599   8.610  -5.616
  160   1HG1  VAL  18           HG11     VAL  18   6.526   6.972  -4.027
  161   2HG1  VAL  18           HG13     VAL  18   6.791   7.124  -5.761
  162   3HG1  VAL  18           HG12     VAL  18   6.751   8.564  -4.741
  163   1HG2  VAL  18           HG21     VAL  18   3.612   5.949  -5.351
  164   2HG2  VAL  18           HG23     VAL  18   3.909   6.842  -6.840
  165   3HG2  VAL  18           HG22     VAL  18   5.185   5.849  -6.141
  166    H    LYS  19           HN       LYS  19   5.920   7.100  -1.955
  167    HA   LYS  19           HA       LYS  19   5.889   4.241  -2.262
  168   1HB   LYS  19           HB2      LYS  19   7.874   4.912  -1.310
  169   2HB   LYS  19           HB1      LYS  19   7.116   6.212  -0.401
  170   1HG   LYS  19           HG2      LYS  19   6.799   4.883   1.426
  171   2HG   LYS  19           HG1      LYS  19   6.272   3.514   0.449
  172   1HD   LYS  19           HD2      LYS  19   8.316   2.573   0.493
  173   2HD   LYS  19           HD1      LYS  19   9.100   4.091   0.054
  174   1HE   LYS  19           HE2      LYS  19   9.349   4.760   2.275
  175   2HE   LYS  19           HE1      LYS  19   8.017   3.746   2.832
  176   1HZ   LYS  19           HZ3      LYS  19   9.381   1.791   2.359
  177   2HZ   LYS  19           HZ2      LYS  19  10.669   2.795   1.892
  178   3HZ   LYS  19           HZ1      LYS  19  10.120   2.806   3.500
  179    H    LYS  20           HN       LYS  20   5.148   5.782   0.867
  180    HA   LYS  20           HA       LYS  20   3.525   3.796   1.909
  181   1HB   LYS  20           HB2      LYS  20   3.371   6.797   2.191
  182   2HB   LYS  20           HB1      LYS  20   2.258   5.742   3.061
  183   1HG   LYS  20           HG2      LYS  20   4.610   4.502   3.608
  184   2HG   LYS  20           HG1      LYS  20   5.164   6.171   3.470
  185   1HD   LYS  20           HD2      LYS  20   3.561   6.903   5.137
  186   2HD   LYS  20           HD1      LYS  20   2.825   5.302   5.190
  187   1HE   LYS  20           HE2      LYS  20   5.567   6.124   6.153
  188   2HE   LYS  20           HE1      LYS  20   4.269   5.367   7.076
  189   1HZ   LYS  20           HZ1      LYS  20   4.568   3.513   5.276
  190   2HZ   LYS  20           HZ3      LYS  20   6.126   4.171   5.152
  191   3HZ   LYS  20           HZ2      LYS  20   5.577   3.571   6.643
  192    H    CYS  21           HN       CYS  21   2.753   6.039  -0.627
  193    HA   CYS  21           HA       CYS  21  -0.122   5.820  -0.668
  194   1HB   CYS  21           HB2      CYS  21   1.894   6.288  -2.858
  195   2HB   CYS  21           HB1      CYS  21   0.155   6.432  -3.001
  196    H    CYS  22           HN       CYS  22   2.324   4.217  -2.753
  197    HA   CYS  22           HA       CYS  22   0.450   2.497  -3.979
  198   1HB   CYS  22           HB2      CYS  22   2.297   2.505  -5.195
  199   2HB   CYS  22           HB1      CYS  22   3.383   2.681  -3.826
  200    H    TYR  23           HN       TYR  23   2.372   2.272  -1.041
  201    HA   TYR  23           HA       TYR  23   1.743  -0.446  -0.373
  202   1HB   TYR  23           HB2      TYR  23   2.547   1.985   1.214
  203   2HB   TYR  23           HB1      TYR  23   1.990   0.540   2.056
  204    HD1  TYR  23           HD2      TYR  23   4.530   1.884  -0.252
  205    HD2  TYR  23           HD1      TYR  23   3.346  -1.453   2.163
  206    HE1  TYR  23           HE2      TYR  23   6.786   0.890  -0.529
  207    HE2  TYR  23           HE1      TYR  23   5.598  -2.459   1.880
  208    HH   TYR  23           HH       TYR  23   8.061  -1.317   1.332
  209    H    ASP  24           HN       ASP  24   0.157   2.645  -0.108
  210    HA   ASP  24           HA       ASP  24  -2.036   1.842   1.577
  211   1HB   ASP  24           HB2      ASP  24  -1.425   4.200  -0.210
  212   2HB   ASP  24           HB1      ASP  24  -3.110   3.907   0.254
  213    H    GLY  25           HN       GLY  25  -1.394   1.712  -1.858
  214   1HA   GLY  25           HA2      GLY  25  -4.099   1.122  -2.672
  215   2HA   GLY  25           HA1      GLY  25  -2.646   0.857  -3.634
  216    H    ALA  26           HN       ALA  26  -1.207  -0.976  -2.314
  217    HA   ALA  26           HA       ALA  26  -2.877  -3.370  -2.582
  218   1HB   ALA  26           HB3      ALA  26  -0.318  -2.900  -3.237
  219   2HB   ALA  26           HB2      ALA  26  -0.066  -3.576  -1.628
  220   3HB   ALA  26           HB1      ALA  26  -0.911  -4.517  -2.858
  221    H    SER  27           HN       SER  27  -2.062  -1.352   0.049
  222    HA   SER  27           HA       SER  27  -2.262  -3.585   1.974
  223   1HB   SER  27           HB2      SER  27  -1.652  -0.702   2.465
  224   2HB   SER  27           HB1      SER  27  -1.551  -1.988   3.639
  225    HG   SER  27           HG       SER  27   0.031  -2.961   2.268
  226    H    VAL  28           HN       VAL  28  -3.698  -0.376   1.411
  227    HA   VAL  28           HA       VAL  28  -5.658  -0.346   3.359
  228    HB   VAL  28           HB       VAL  28  -5.900   0.489   0.458
  229   1HG1  VAL  28           HG12     VAL  28  -7.706   0.895   2.840
  230   2HG1  VAL  28           HG11     VAL  28  -7.726   1.990   1.462
  231   3HG1  VAL  28           HG13     VAL  28  -8.129   0.291   1.239
  232   1HG2  VAL  28           HG21     VAL  28  -4.230   1.485   2.325
  233   2HG2  VAL  28           HG23     VAL  28  -5.006   2.508   1.116
  234   3HG2  VAL  28           HG22     VAL  28  -5.682   2.395   2.741
  235    H    ASN  29           HN       ASN  29  -8.025  -0.908   3.205
  236    HA   ASN  29           HA       ASN  29  -8.534  -3.615   2.930
  237   1HB   ASN  29           HB2      ASN  29 -10.125  -1.352   3.367
  238   2HB   ASN  29           HB1      ASN  29 -10.824  -2.103   1.938
  239   1HD2  ASN  29           HD22     ASN  29 -12.496  -4.410   3.999
  240   2HD2  ASN  29           HD21     ASN  29 -12.573  -3.320   2.700
  241    H    ASN  30           HN       ASN  30  -9.919  -4.713   1.198
  242    HA   ASN  30           HA       ASN  30  -8.586  -4.833  -1.258
  243   1HB   ASN  30           HB2      ASN  30 -11.546  -5.318  -0.795
  244   2HB   ASN  30           HB1      ASN  30 -10.594  -5.938  -2.144
  245   1HD2  ASN  30           HD22     ASN  30  -8.588  -7.872   0.442
  246   2HD2  ASN  30           HD21     ASN  30  -8.200  -6.530  -0.522
  247    H    ASP  31           HN       ASP  31 -10.857  -2.462  -0.120
  248    HA   ASP  31           HA       ASP  31 -10.364  -0.849  -2.513
  249   1HB   ASP  31           HB2      ASP  31 -13.009  -0.552  -2.642
  250   2HB   ASP  31           HB1      ASP  31 -12.187  -1.830  -3.537
  251    H    GLU  32           HN       GLU  32 -10.296  -0.838   0.637
  252    HA   GLU  32           HA       GLU  32 -12.114   1.166   1.503
  253   1HB   GLU  32           HB2      GLU  32 -11.046   0.243   3.313
  254   2HB   GLU  32           HB1      GLU  32  -9.494   0.159   2.496
  255   1HG   GLU  32           HG2      GLU  32  -8.904   2.290   3.126
  256   2HG   GLU  32           HG1      GLU  32 -10.558   2.888   3.000
  257    H    THR  33           HN       THR  33  -8.940   1.357  -0.036
  258    HA   THR  33           HA       THR  33  -9.459   4.247  -0.594
  259    HB   THR  33           HB       THR  33  -6.781   2.937  -0.005
  260    HG1  THR  33           HG1      THR  33  -8.514   4.623   1.438
  261   1HG2  THR  33           HG22     THR  33  -6.711   4.757  -1.714
  262   2HG2  THR  33           HG21     THR  33  -7.437   5.844  -0.532
  263   3HG2  THR  33           HG23     THR  33  -5.839   5.161  -0.237
  264    H    CYS  34           HN       CYS  34  -7.721   1.302  -1.592
  265    HA   CYS  34           HA       CYS  34  -6.764   1.810  -4.120
  266   1HB   CYS  34           HB2      CYS  34  -7.029  -0.440  -2.956
  267   2HB   CYS  34           HB1      CYS  34  -8.682  -0.467  -3.569
  268    H    GLU  35           HN       GLU  35 -10.142   1.391  -3.212
  269    HA   GLU  35           HA       GLU  35 -11.157   1.839  -5.910
  270   1HB   GLU  35           HB2      GLU  35 -12.243   0.441  -4.040
  271   2HB   GLU  35           HB1      GLU  35 -12.800   1.982  -3.388
  272   1HG   GLU  35           HG2      GLU  35 -14.355   2.242  -5.018
  273   2HG   GLU  35           HG1      GLU  35 -13.248   1.698  -6.280
  274    H    GLN  36           HN       GLN  36 -12.084   3.658  -2.957
  275    HA   GLN  36           HA       GLN  36 -13.073   5.919  -4.209
  276   1HB   GLN  36           HB2      GLN  36 -11.726   5.439  -1.601
  277   2HB   GLN  36           HB1      GLN  36 -11.853   7.121  -2.120
  278   1HG   GLN  36           HG2      GLN  36 -14.315   6.694  -2.554
  279   2HG   GLN  36           HG1      GLN  36 -14.111   5.137  -1.749
  280   1HE2  GLN  36           HE22     GLN  36 -14.563   6.627   1.399
  281   2HE2  GLN  36           HE21     GLN  36 -14.813   5.291   0.381
  282    H    ARG  37           HN       ARG  37  -9.705   5.578  -3.132
  283    HA   ARG  37           HA       ARG  37  -8.690   7.918  -4.336
  284   1HB   ARG  37           HB2      ARG  37  -7.647   5.509  -3.109
  285   2HB   ARG  37           HB1      ARG  37  -6.642   6.017  -4.463
  286   1HG   ARG  37           HG2      ARG  37  -6.091   6.994  -2.141
  287   2HG   ARG  37           HG1      ARG  37  -6.188   8.115  -3.492
  288   1HD   ARG  37           HD2      ARG  37  -7.394   8.852  -1.378
  289   2HD   ARG  37           HD1      ARG  37  -8.385   8.849  -2.833
  290    HE   ARG  37           HE       ARG  37  -8.779   6.330  -1.730
  291   1HH1  ARG  37           HH21     ARG  37  -9.027   9.610  -0.676
  292   2HH1  ARG  37           HH22     ARG  37 -10.288   9.282   0.463
  293   1HH2  ARG  37           HH12     ARG  37 -10.418   5.892  -0.243
  294   2HH2  ARG  37           HH11     ARG  37 -11.076   7.181   0.708
  295    H    ALA  38           HN       ALA  38  -8.641   4.556  -5.697
  296    HA   ALA  38           HA       ALA  38  -7.547   5.488  -8.212
  297   1HB   ALA  38           HB3      ALA  38  -7.383   3.125  -7.347
  298   2HB   ALA  38           HB2      ALA  38  -9.095   2.930  -7.727
  299   3HB   ALA  38           HB1      ALA  38  -7.934   3.247  -9.017
  300    H    ALA  39           HN       ALA  39 -10.559   5.966  -6.890
  301    HA   ALA  39           HA       ALA  39 -11.796   6.180  -9.607
  302   1HB   ALA  39           HB1      ALA  39 -12.713   4.742  -7.328
  303   2HB   ALA  39           HB3      ALA  39 -13.787   6.124  -7.540
  304   3HB   ALA  39           HB2      ALA  39 -13.549   4.982  -8.862
  305    H    ARG  40           HN       ARG  40 -12.904   7.376  -6.445
  306    HA   ARG  40           HA       ARG  40 -13.645   9.935  -7.432
  307   1HB   ARG  40           HB2      ARG  40 -13.287   8.688  -4.772
  308   2HB   ARG  40           HB1      ARG  40 -13.114  10.444  -4.799
  309   1HG   ARG  40           HG2      ARG  40 -15.299  10.490  -6.136
  310   2HG   ARG  40           HG1      ARG  40 -15.493   8.798  -5.679
  311   1HD   ARG  40           HD2      ARG  40 -16.122   9.343  -3.578
  312   2HD   ARG  40           HD1      ARG  40 -14.780  10.473  -3.396
  313    HE   ARG  40           HE       ARG  40 -16.559  11.802  -5.061
  314   1HH1  ARG  40           HH21     ARG  40 -16.686  10.255  -1.974
  315   2HH1  ARG  40           HH22     ARG  40 -17.931  11.291  -1.363
  316   1HH2  ARG  40           HH12     ARG  40 -18.186  13.157  -4.271
  317   2HH2  ARG  40           HH11     ARG  40 -18.779  12.931  -2.661
  318    H    ILE  41           HN       ILE  41 -11.870  10.709  -8.704
  319    HA   ILE  41           HA       ILE  41  -9.565  11.679  -7.063
  320    HB   ILE  41           HB       ILE  41  -9.634  10.354  -9.762
  321   1HG1  ILE  41           HG12     ILE  41  -7.507  10.267  -7.616
  322   2HG1  ILE  41           HG11     ILE  41  -8.967   9.276  -7.509
  323   1HG2  ILE  41           HG21     ILE  41  -7.828  12.598  -8.917
  324   2HG2  ILE  41           HG23     ILE  41  -7.156  11.277  -9.873
  325   3HG2  ILE  41           HG22     ILE  41  -8.487  12.237 -10.513
  326   1HD1  ILE  41           HD11     ILE  41  -8.401   8.514  -9.911
  327   2HD1  ILE  41           HD13     ILE  41  -6.803   9.195  -9.614
  328   3HD1  ILE  41           HD12     ILE  41  -7.402   7.877  -8.606
  329    H    SER  42           HN       SER  42 -11.009  13.623  -6.831
  330    HA   SER  42           HA       SER  42 -11.793  15.179  -9.123
  331   1HB   SER  42           HB2      SER  42 -11.122  16.537  -6.546
  332   2HB   SER  42           HB1      SER  42 -12.519  16.759  -7.596
  333    HG   SER  42           HG       SER  42 -13.076  15.658  -5.679
  334    H    LEU  43           HN       LEU  43  -8.820  14.650  -7.508
  335    HA   LEU  43           HA       LEU  43  -7.472  16.576  -9.318
  336   1HB   LEU  43           HB2      LEU  43  -7.680  17.802  -7.238
  337   2HB   LEU  43           HB1      LEU  43  -7.130  16.412  -6.309
  338    HG   LEU  43           HG       LEU  43  -5.423  18.284  -6.775
  339   1HD1  LEU  43           HD13     LEU  43  -5.182  15.513  -6.478
  340   2HD1  LEU  43           HD12     LEU  43  -4.091  15.915  -7.804
  341   3HD1  LEU  43           HD11     LEU  43  -3.908  16.709  -6.240
  342   1HD2  LEU  43           HD21     LEU  43  -5.637  16.991  -9.506
  343   2HD2  LEU  43           HD23     LEU  43  -5.808  18.699  -9.104
  344   3HD2  LEU  43           HD22     LEU  43  -4.230  17.920  -8.995
  345    H    GLY  44           HN       GLY  44  -7.208  13.869  -7.033
  346   1HA   GLY  44           HA2      GLY  44  -5.894  11.937  -7.154
  347   2HA   GLY  44           HA1      GLY  44  -5.438  12.393  -8.792
  348    HA   PRO  45           HA       PRO  45  -2.644  14.900  -5.466
  349   1HB   PRO  45           HB2      PRO  45  -2.342  12.747  -3.546
  350   2HB   PRO  45           HB1      PRO  45  -2.848  14.414  -3.269
  351   1HG   PRO  45           HG2      PRO  45  -4.475  12.058  -3.276
  352   2HG   PRO  45           HG1      PRO  45  -4.968  13.730  -2.985
  353   1HD   PRO  45           HD2      PRO  45  -5.653  12.148  -5.211
  354   2HD   PRO  45           HD1      PRO  45  -5.903  13.891  -5.032
  355    H    ARG  46           HN       ARG  46  -2.021  11.464  -4.791
  356    HA   ARG  46           HA       ARG  46  -0.198  11.181  -7.053
  357   1HB   ARG  46           HB2      ARG  46   0.943  11.300  -4.241
  358   2HB   ARG  46           HB1      ARG  46   1.841  10.897  -5.703
  359   1HG   ARG  46           HG2      ARG  46   1.169  13.160  -6.621
  360   2HG   ARG  46           HG1      ARG  46   0.547  13.546  -5.016
  361   1HD   ARG  46           HD2      ARG  46   2.620  13.918  -4.201
  362   2HD   ARG  46           HD1      ARG  46   3.247  12.432  -4.916
  363    HE   ARG  46           HE       ARG  46   2.983  14.138  -7.079
  364   1HH1  ARG  46           HH21     ARG  46   4.479  14.271  -3.969
  365   2HH1  ARG  46           HH22     ARG  46   5.754  15.323  -4.486
  366   1HH2  ARG  46           HH12     ARG  46   4.640  15.507  -7.763
  367   2HH2  ARG  46           HH11     ARG  46   5.846  16.022  -6.631
  368    H    CYS  47           HN       CYS  47  -1.189   9.962  -3.849
  369    HA   CYS  47           HA       CYS  47  -0.317   7.299  -4.284
  370   1HB   CYS  47           HB2      CYS  47  -2.770   7.872  -2.633
  371   2HB   CYS  47           HB1      CYS  47  -1.544   6.666  -2.354
  372    H    ILE  48           HN       ILE  48  -3.151   8.967  -5.488
  373    HA   ILE  48           HA       ILE  48  -4.599   6.556  -6.028
  374    HB   ILE  48           HB       ILE  48  -5.693   8.045  -7.866
  375   1HG1  ILE  48           HG12     ILE  48  -4.956  10.504  -6.615
  376   2HG1  ILE  48           HG11     ILE  48  -3.489   9.709  -7.151
  377   1HG2  ILE  48           HG22     ILE  48  -6.482   7.619  -5.458
  378   2HG2  ILE  48           HG21     ILE  48  -5.810   9.205  -5.088
  379   3HG2  ILE  48           HG23     ILE  48  -7.113   9.051  -6.266
  380   1HD1  ILE  48           HD11     ILE  48  -4.801   9.276  -9.359
  381   2HD1  ILE  48           HD13     ILE  48  -5.849  10.573  -8.784
  382   3HD1  ILE  48           HD12     ILE  48  -4.137  10.884  -9.066
  383    H    LYS  49           HN       LYS  49  -2.891   8.615  -8.468
  384    HA   LYS  49           HA       LYS  49  -2.866   6.649 -10.483
  385   1HB   LYS  49           HB2      LYS  49  -1.338   9.099  -9.886
  386   2HB   LYS  49           HB1      LYS  49  -0.470   7.929 -10.881
  387   1HG   LYS  49           HG2      LYS  49  -3.280   8.285 -11.667
  388   2HG   LYS  49           HG1      LYS  49  -2.306   9.747 -11.837
  389   1HD   LYS  49           HD2      LYS  49  -0.648   8.516 -13.161
  390   2HD   LYS  49           HD1      LYS  49  -1.573   7.027 -12.960
  391   1HE   LYS  49           HE2      LYS  49  -2.268   9.476 -14.564
  392   2HE   LYS  49           HE1      LYS  49  -2.291   7.783 -15.061
  393   1HZ   LYS  49           HZ2      LYS  49  -4.099   7.523 -13.312
  394   2HZ   LYS  49           HZ1      LYS  49  -4.209   9.219 -13.331
  395   3HZ   LYS  49           HZ3      LYS  49  -4.516   8.335 -14.746
  396    H    ALA  50           HN       ALA  50  -0.158   7.401  -8.244
  397    HA   ALA  50           HA       ALA  50   1.543   5.258  -8.900
  398   1HB   ALA  50           HB3      ALA  50   2.124   7.031  -7.255
  399   2HB   ALA  50           HB2      ALA  50   0.987   6.317  -6.113
  400   3HB   ALA  50           HB1      ALA  50   2.412   5.413  -6.618
  401    H    PHE  51           HN       PHE  51  -0.549   5.320  -6.091
  402    HA   PHE  51           HA       PHE  51  -0.322   2.547  -5.681
  403   1HB   PHE  51           HB2      PHE  51  -1.222   3.056  -3.745
  404   2HB   PHE  51           HB1      PHE  51  -1.170   4.715  -4.224
  405    HD1  PHE  51           HD1      PHE  51  -3.529   4.423  -6.290
  406    HD2  PHE  51           HD2      PHE  51  -3.020   3.255  -2.212
  407    HE1  PHE  51           HE1      PHE  51  -5.972   4.487  -5.971
  408    HE2  PHE  51           HE2      PHE  51  -5.465   3.342  -1.886
  409    HZ   PHE  51           HZ       PHE  51  -6.943   3.949  -3.768
  410    H    THR  52           HN       THR  52  -2.028   4.067  -8.091
  411    HA   THR  52           HA       THR  52  -4.392   2.314  -8.050
  412    HB   THR  52           HB       THR  52  -3.410   4.528  -9.843
  413    HG1  THR  52           HG1      THR  52  -5.579   5.202  -9.421
  414   1HG2  THR  52           HG21     THR  52  -4.068   2.692 -11.375
  415   2HG2  THR  52           HG23     THR  52  -5.624   2.578 -10.553
  416   3HG2  THR  52           HG22     THR  52  -5.205   4.037 -11.450
  417    H    GLU  53           HN       GLU  53  -1.454   2.787 -10.004
  418    HA   GLU  53           HA       GLU  53  -1.954   0.334 -11.534
  419   1HB   GLU  53           HB2      GLU  53  -0.338   2.532 -11.920
  420   2HB   GLU  53           HB1      GLU  53   0.821   1.326 -11.362
  421   1HG   GLU  53           HG2      GLU  53   0.497  -0.038 -13.197
  422   2HG   GLU  53           HG1      GLU  53  -1.175   0.478 -13.415
  423    H    CYS  54           HN       CYS  54  -0.447   1.283  -8.565
  424    HA   CYS  54           HA       CYS  54   1.050  -1.204  -8.208
  425   1HB   CYS  54           HB2      CYS  54   2.030   0.621  -7.143
  426   2HB   CYS  54           HB1      CYS  54   0.486   1.251  -6.553
  427    H    CYS  55           HN       CYS  55  -2.051   0.125  -7.126
  428    HA   CYS  55           HA       CYS  55  -2.593  -2.135  -5.366
  429   1HB   CYS  55           HB2      CYS  55  -3.657   0.063  -4.927
  430   2HB   CYS  55           HB1      CYS  55  -4.535  -0.049  -6.449
  431    H    VAL  56           HN       VAL  56  -3.347  -1.222  -8.683
  432    HA   VAL  56           HA       VAL  56  -5.199  -3.400  -9.144
  433    HB   VAL  56           HB       VAL  56  -4.967  -2.836 -11.514
  434   1HG1  VAL  56           HG11     VAL  56  -5.384  -0.789  -9.431
  435   2HG1  VAL  56           HG13     VAL  56  -5.043  -0.138 -11.034
  436   3HG1  VAL  56           HG12     VAL  56  -6.409  -1.230 -10.797
  437   1HG2  VAL  56           HG22     VAL  56  -2.624  -1.164 -10.553
  438   2HG2  VAL  56           HG21     VAL  56  -2.559  -2.542 -11.651
  439   3HG2  VAL  56           HG23     VAL  56  -3.327  -1.041 -12.166
  440    H    VAL  57           HN       VAL  57  -1.742  -2.850  -9.891
  441    HA   VAL  57           HA       VAL  57  -1.226  -5.382 -11.065
  442    HB   VAL  57           HB       VAL  57   0.463  -3.626 -11.096
  443   1HG1  VAL  57           HG12     VAL  57  -0.246  -2.795  -8.783
  444   2HG1  VAL  57           HG11     VAL  57   0.814  -4.041  -8.128
  445   3HG1  VAL  57           HG13     VAL  57   1.477  -2.756  -9.135
  446   1HG2  VAL  57           HG23     VAL  57   1.099  -6.131 -10.961
  447   2HG2  VAL  57           HG22     VAL  57   2.372  -4.957 -10.627
  448   3HG2  VAL  57           HG21     VAL  57   1.566  -5.785  -9.296
  449    H    ALA  58           HN       ALA  58  -1.001  -4.372  -7.622
  450    HA   ALA  58           HA       ALA  58  -0.237  -6.868  -6.550
  451   1HB   ALA  58           HB1      ALA  58  -2.113  -4.781  -5.395
  452   2HB   ALA  58           HB3      ALA  58  -1.436  -6.126  -4.475
  453   3HB   ALA  58           HB2      ALA  58  -0.371  -4.885  -5.138
  454    H    SER  59           HN       SER  59  -3.513  -5.600  -7.092
  455    HA   SER  59           HA       SER  59  -5.050  -7.789  -6.271
  456   1HB   SER  59           HB2      SER  59  -6.217  -6.892  -8.686
  457   2HB   SER  59           HB1      SER  59  -6.651  -6.413  -7.047
  458    HG   SER  59           HG       SER  59  -5.895  -4.533  -7.590
  459    H    GLN  60           HN       GLN  60  -4.480  -7.186  -9.732
  460    HA   GLN  60           HA       GLN  60  -5.115  -9.649 -10.752
  461   1HB   GLN  60           HB2      GLN  60  -3.636  -7.434 -11.673
  462   2HB   GLN  60           HB1      GLN  60  -2.600  -8.835 -11.946
  463   1HG   GLN  60           HG2      GLN  60  -3.827  -9.267 -13.786
  464   2HG   GLN  60           HG1      GLN  60  -5.158  -9.685 -12.707
  465   1HE2  GLN  60           HE22     GLN  60  -5.365  -6.296 -14.899
  466   2HE2  GLN  60           HE21     GLN  60  -4.082  -7.395 -15.064
  467    H    LEU  61           HN       LEU  61  -1.746  -8.828  -9.891
  468    HA   LEU  61           HA       LEU  61  -0.491 -11.263  -9.985
  469   1HB   LEU  61           HB2      LEU  61  -0.364  -8.947  -8.116
  470   2HB   LEU  61           HB1      LEU  61   0.524 -10.400  -7.683
  471    HG   LEU  61           HG       LEU  61   1.823  -8.770  -8.936
  472   1HD1  LEU  61           HD11     LEU  61   1.363 -11.556  -9.830
  473   2HD1  LEU  61           HD13     LEU  61   2.357 -10.552 -10.884
  474   3HD1  LEU  61           HD12     LEU  61   2.835 -10.812  -9.208
  475   1HD2  LEU  61           HD21     LEU  61  -0.259  -9.325 -11.030
  476   2HD2  LEU  61           HD23     LEU  61   0.310  -7.763 -10.445
  477   3HD2  LEU  61           HD22     LEU  61   1.344  -8.746 -11.477
  478    H    ARG  62           HN       ARG  62  -1.188 -10.224  -6.752
  479    HA   ARG  62           HA       ARG  62  -1.316 -12.463  -5.314
  480   1HB   ARG  62           HB2      ARG  62  -2.553  -9.965  -5.034
  481   2HB   ARG  62           HB1      ARG  62  -3.843 -11.139  -4.773
  482   1HG   ARG  62           HG2      ARG  62  -2.529 -12.282  -3.076
  483   2HG   ARG  62           HG1      ARG  62  -1.146 -11.235  -3.397
  484   1HD   ARG  62           HD2      ARG  62  -3.208  -9.446  -2.917
  485   2HD   ARG  62           HD1      ARG  62  -3.521 -10.735  -1.758
  486    HE   ARG  62           HE       ARG  62  -1.513  -8.760  -1.486
  487   1HH1  ARG  62           HH21     ARG  62  -1.814 -12.210  -1.349
  488   2HH1  ARG  62           HH22     ARG  62  -0.329 -12.421  -0.491
  489   1HH2  ARG  62           HH12     ARG  62   0.398  -9.041  -0.349
  490   2HH2  ARG  62           HH11     ARG  62   0.913 -10.638   0.084
  491    H    ALA  63           HN       ALA  63  -4.025 -11.605  -7.477
  492    HA   ALA  63           HA       ALA  63  -5.765 -13.728  -6.885
  493   1HB   ALA  63           HB3      ALA  63  -5.658 -11.771  -8.832
  494   2HB   ALA  63           HB2      ALA  63  -5.456 -13.249  -9.772
  495   3HB   ALA  63           HB1      ALA  63  -6.876 -13.044  -8.746
  496    H    ASN  64           HN       ASN  64  -3.387 -13.747  -9.560
  497    HA   ASN  64           HA       ASN  64  -2.832 -16.606  -8.937
  498   1HB   ASN  64           HB2      ASN  64  -4.484 -16.522 -10.792
  499   2HB   ASN  64           HB1      ASN  64  -3.374 -15.509 -11.715
  500   1HD2  ASN  64           HD22     ASN  64  -2.798 -19.044 -12.769
  501   2HD2  ASN  64           HD21     ASN  64  -4.111 -17.970 -12.829
  502    H    ILE  65           HN       ILE  65  -1.166 -14.595  -8.140
  503    HA   ILE  65           HA       ILE  65   0.747 -13.502  -9.812
  504    HB   ILE  65           HB       ILE  65   2.113 -14.842  -7.600
  505   1HG1  ILE  65           HG12     ILE  65  -0.362 -13.195  -6.993
  506   2HG1  ILE  65           HG11     ILE  65  -0.090 -14.880  -6.545
  507   1HG2  ILE  65           HG22     ILE  65   2.729 -12.722  -8.889
  508   2HG2  ILE  65           HG21     ILE  65   1.459 -11.917  -7.973
  509   3HG2  ILE  65           HG23     ILE  65   2.839 -12.615  -7.132
  510   1HD1  ILE  65           HD12     ILE  65   2.151 -13.603  -5.537
  511   2HD1  ILE  65           HD11     ILE  65   0.866 -12.432  -5.246
  512   3HD1  ILE  65           HD13     ILE  65   0.733 -14.067  -4.599
  513    H    SER  66           HN       SER  66   1.437 -14.588 -11.622
  514    HA   SER  66           HA       SER  66   3.458 -16.578 -11.414
  515   1HB   SER  66           HB2      SER  66   1.518 -18.000 -10.720
  516   2HB   SER  66           HB1      SER  66   0.767 -17.679 -12.280
  517    HG   SER  66           HG       SER  66   2.482 -19.558 -11.715
  518    H    HIS  67           HN       HIS  67   0.904 -15.104 -13.342
  519    HA   HIS  67           HA       HIS  67   2.091 -15.813 -15.897
  520   1HB   HIS  67           HB2      HIS  67  -0.246 -14.340 -14.945
  521   2HB   HIS  67           HB1      HIS  67   0.515 -13.565 -16.335
  522    HD1  HIS  67           HD1      HIS  67  -2.085 -15.796 -15.790
  523    HD2  HIS  67           HD2      HIS  67   1.279 -16.004 -18.244
  524    HE1  HIS  67           HE1      HIS  67  -2.605 -17.516 -17.574
  525    H    LYS  68           HN       LYS  68   1.410 -12.448 -15.129
  526    HA   LYS  68           HA       LYS  68   4.313 -11.824 -15.435
  527   1HB   LYS  68           HB2      LYS  68   3.519  -9.800 -16.810
  528   2HB   LYS  68           HB1      LYS  68   3.461 -11.373 -17.610
  529   1HG   LYS  68           HG2      LYS  68   1.076 -11.586 -17.065
  530   2HG   LYS  68           HG1      LYS  68   1.119 -10.039 -16.217
  531   1HD   LYS  68           HD2      LYS  68   1.300  -8.811 -18.176
  532   2HD   LYS  68           HD1      LYS  68   2.061 -10.136 -19.059
  533   1HE   LYS  68           HE2      LYS  68   0.069 -10.934 -19.765
  534   2HE   LYS  68           HE1      LYS  68  -0.630 -10.818 -18.150
  535   1HZ   LYS  68           HZ2      LYS  68  -0.288  -8.561 -20.051
  536   2HZ   LYS  68           HZ1      LYS  68  -1.752  -9.355 -19.712
  537   3HZ   LYS  68           HZ3      LYS  68  -0.975  -8.458 -18.500
  538    H    ASP  69           HN       ASP  69   4.483  -9.252 -15.026
  539    HA   ASP  69           HA       ASP  69   2.776  -8.624 -12.653
  540   1HB   ASP  69           HB2      ASP  69   5.730  -8.722 -12.922
  541   2HB   ASP  69           HB1      ASP  69   5.082  -7.329 -12.054
  542    H    MET  70           HN       MET  70   2.483  -6.313 -12.279
  543    HA   MET  70           HA       MET  70   2.931  -4.697 -14.757
  544   1HB   MET  70           HB2      MET  70   0.515  -5.333 -13.604
  545   2HB   MET  70           HB1      MET  70   0.856  -3.760 -12.887
  546   1HG   MET  70           HG2      MET  70   0.242  -2.764 -14.804
  547   2HG   MET  70           HG1      MET  70   1.547  -3.601 -15.644
  548   1HE   MET  70           HE1      MET  70  -0.993  -2.514 -16.624
  549   2HE   MET  70           HE3      MET  70  -0.501  -3.555 -17.968
  550   3HE   MET  70           HE2      MET  70  -2.134  -3.664 -17.317
  551    H    CYS  71           HN       CYS  71   1.959  -2.304 -13.220
  552    HA   CYS  71           HA       CYS  71   4.331  -1.068 -12.545
  553   1HB   CYS  71           HB2      CYS  71   1.507  -0.698 -11.776
  554   2HB   CYS  71           HB1      CYS  71   2.664   0.022 -10.649
  555   1H    CYS  72           HN3      CYS  72   3.504   4.624 -11.873
  556   2H    CYS  72           HN2      CYS  72   2.165   3.588 -12.013
  557   3H    CYS  72           HN1      CYS  72   1.994   5.107 -11.272
  558    HA   CYS  72           HA       CYS  72   2.058   3.550  -9.520
  559   1HB   CYS  72           HB2      CYS  72   4.471   2.285  -9.572
  560   2HB   CYS  72           HB1      CYS  72   2.937   1.565 -10.022
  561    H    LEU  73           HN       LEU  73   5.441   4.040 -10.478
  562    HA   LEU  73           HA       LEU  73   6.352   5.001  -8.040
  563   1HB   LEU  73           HB2      LEU  73   7.369   6.134 -10.647
  564   2HB   LEU  73           HB1      LEU  73   8.279   5.789  -9.175
  565    HG   LEU  73           HG       LEU  73   7.089   3.347  -9.884
  566   1HD1  LEU  73           HD13     LEU  73   7.075   4.888 -12.173
  567   2HD1  LEU  73           HD12     LEU  73   8.608   4.027 -12.306
  568   3HD1  LEU  73           HD11     LEU  73   7.101   3.125 -12.141
  569   1HD2  LEU  73           HD23     LEU  73   9.336   3.752  -8.879
  570   2HD2  LEU  73           HD22     LEU  73   9.410   2.655 -10.258
  571   3HD2  LEU  73           HD21     LEU  73   9.904   4.338 -10.443
  572    H    GLY  74           HN       GLY  74   7.306   7.453  -7.941
  573   1HA   GLY  74           HA2      GLY  74   5.258   9.391  -8.847
  574   2HA   GLY  74           HA1      GLY  74   5.491   9.233  -7.107
  575   1HN   DAR  75           HN       ARG  75   6.004  11.645  -8.519
  576    HA   DAR  75           HA       ARG  75   8.730  12.014  -9.252
  577   1HB   DAR  75           HB1      ARG  75   8.806  11.345  -6.702
  578   2HB   DAR  75           HB2      ARG  75   8.299  13.017  -6.453
  579   1HG   DAR  75           HG1      ARG  75  10.231  13.806  -7.757
  580   2HG   DAR  75           HG2      ARG  75  10.724  12.139  -8.055
  581   1HD   DAR  75           HD1      ARG  75  11.785  12.049  -6.070
  582   2HD   DAR  75           HD2      ARG  75  10.314  12.541  -5.233
  583    HNE  DAR  75           HE       ARG  75  11.370  14.583  -4.894
  584   1HH1  DAR  75           HH11     ARG  75  12.334  16.487  -5.581
  585   2HH1  DAR  75           HH12     ARG  75  13.081  16.557  -7.142
  586   1HH2  DAR  75           HH21     ARG  75  12.366  13.269  -7.945
  587   2HH2  DAR  75           HH22     ARG  75  13.085  14.747  -8.477
   
  No H/Q in entry =         587
  Start of MODEL   15
    1   1H    MET   1           HN2      MET   1  12.436 -17.871  -1.398
    2   2H    MET   1           HN1      MET   1  13.991 -17.519  -0.809
    3   3H    MET   1           HN3      MET   1  12.800 -18.105   0.246
    4    HA   MET   1           HA       MET   1  12.084 -16.072   0.681
    5   1HB   MET   1           HB2      MET   1  14.440 -15.496  -1.102
    6   2HB   MET   1           HB1      MET   1  13.450 -14.171  -0.489
    7   1HG   MET   1           HG2      MET   1  14.536 -14.280   1.476
    8   2HG   MET   1           HG1      MET   1  13.953 -15.931   1.693
    9   1HE   MET   1           HE3      MET   1  15.489 -17.087   2.745
   10   2HE   MET   1           HE2      MET   1  17.205 -17.309   2.416
   11   3HE   MET   1           HE1      MET   1  16.641 -15.801   3.132
   12    H    LEU   2           HN       LEU   2  10.214 -17.013  -0.793
   13    HA   LEU   2           HA       LEU   2   9.854 -15.279  -3.191
   14   1HB   LEU   2           HB2      LEU   2   9.504 -17.607  -3.690
   15   2HB   LEU   2           HB1      LEU   2   8.466 -17.813  -2.280
   16    HG   LEU   2           HG       LEU   2   6.893 -16.118  -3.300
   17   1HD1  LEU   2           HD13     LEU   2   8.552 -15.073  -4.813
   18   2HD1  LEU   2           HD12     LEU   2   8.653 -16.577  -5.729
   19   3HD1  LEU   2           HD11     LEU   2   7.148 -15.658  -5.706
   20   1HD2  LEU   2           HD22     LEU   2   6.621 -18.625  -3.479
   21   2HD2  LEU   2           HD21     LEU   2   5.873 -17.722  -4.797
   22   3HD2  LEU   2           HD23     LEU   2   7.415 -18.539  -5.051
   23    H    GLN   3           HN       GLN   3   8.765 -15.772   0.048
   24    HA   GLN   3           HA       GLN   3   6.143 -14.818   0.048
   25   1HB   GLN   3           HB2      GLN   3   6.956 -13.622   2.270
   26   2HB   GLN   3           HB1      GLN   3   6.888 -15.383   2.177
   27   1HG   GLN   3           HG2      GLN   3   9.220 -15.575   1.858
   28   2HG   GLN   3           HG1      GLN   3   9.385 -13.879   1.400
   29   1HE2  GLN   3           HE22     GLN   3  10.156 -12.973   4.702
   30   2HE2  GLN   3           HE21     GLN   3  10.393 -12.723   3.040
   31    H    LYS   4           HN       LYS   4   9.073 -13.078  -0.685
   32    HA   LYS   4           HA       LYS   4   7.781 -10.448  -0.441
   33   1HB   LYS   4           HB2      LYS   4  10.470 -11.194  -1.631
   34   2HB   LYS   4           HB1      LYS   4   9.927  -9.565  -1.227
   35   1HG   LYS   4           HG2      LYS   4   9.507 -10.730   1.156
   36   2HG   LYS   4           HG1      LYS   4  10.810 -11.768   0.575
   37   1HD   LYS   4           HD2      LYS   4  11.625  -9.166  -0.077
   38   2HD   LYS   4           HD1      LYS   4  10.945  -9.033   1.544
   39   1HE   LYS   4           HE2      LYS   4  13.029  -9.724   2.178
   40   2HE   LYS   4           HE1      LYS   4  12.374 -11.322   1.820
   41   1HZ   LYS   4           HZ2      LYS   4  13.281 -10.120  -0.560
   42   2HZ   LYS   4           HZ1      LYS   4  14.523 -10.054   0.599
   43   3HZ   LYS   4           HZ3      LYS   4  13.828 -11.545   0.186
   44    H    LYS   5           HN       LYS   5   6.938  -9.264  -2.155
   45    HA   LYS   5           HA       LYS   5   7.464 -10.125  -4.917
   46   1HB   LYS   5           HB2      LYS   5   4.584 -10.045  -4.027
   47   2HB   LYS   5           HB1      LYS   5   5.266 -10.754  -5.491
   48   1HG   LYS   5           HG2      LYS   5   6.412 -12.465  -4.127
   49   2HG   LYS   5           HG1      LYS   5   5.713 -11.764  -2.667
   50   1HD   LYS   5           HD2      LYS   5   3.441 -12.090  -3.993
   51   2HD   LYS   5           HD1      LYS   5   4.375 -13.316  -4.850
   52   1HE   LYS   5           HE2      LYS   5   3.757 -14.670  -3.131
   53   2HE   LYS   5           HE1      LYS   5   5.050 -13.852  -2.253
   54   1HZ   LYS   5           HZ2      LYS   5   2.381 -12.631  -2.339
   55   2HZ   LYS   5           HZ1      LYS   5   2.657 -13.931  -1.281
   56   3HZ   LYS   5           HZ3      LYS   5   3.582 -12.517  -1.142
   57    H    ILE   6           HN       ILE   6   4.737  -8.296  -3.482
   58    HA   ILE   6           HA       ILE   6   5.561  -6.001  -5.183
   59    HB   ILE   6           HB       ILE   6   2.968  -6.939  -4.013
   60   1HG1  ILE   6           HG12     ILE   6   3.814  -7.310  -6.414
   61   2HG1  ILE   6           HG11     ILE   6   2.191  -6.644  -6.243
   62   1HG2  ILE   6           HG21     ILE   6   3.574  -4.057  -4.752
   63   2HG2  ILE   6           HG23     ILE   6   1.954  -4.710  -4.506
   64   3HG2  ILE   6           HG22     ILE   6   3.095  -4.651  -3.162
   65   1HD1  ILE   6           HD12     ILE   6   4.400  -4.661  -6.353
   66   2HD1  ILE   6           HD11     ILE   6   4.076  -5.541  -7.847
   67   3HD1  ILE   6           HD13     ILE   6   2.795  -4.601  -7.082
   68    H    GLU   7           HN       GLU   7   5.451  -6.997  -1.865
   69    HA   GLU   7           HA       GLU   7   5.063  -4.674  -0.423
   70   1HB   GLU   7           HB2      GLU   7   6.986  -5.494   1.088
   71   2HB   GLU   7           HB1      GLU   7   5.621  -6.583   0.850
   72   1HG   GLU   7           HG2      GLU   7   7.170  -7.354  -1.226
   73   2HG   GLU   7           HG1      GLU   7   8.423  -6.819  -0.107
   74    H    GLU   8           HN       GLU   8   8.346  -5.588  -1.604
   75    HA   GLU   8           HA       GLU   8   9.330  -2.902  -1.150
   76   1HB   GLU   8           HB2      GLU   8  11.339  -3.672  -2.387
   77   2HB   GLU   8           HB1      GLU   8  10.855  -4.851  -1.166
   78   1HG   GLU   8           HG2      GLU   8   9.466  -5.914  -3.113
   79   2HG   GLU   8           HG1      GLU   8  10.553  -4.997  -4.156
   80    H    ILE   9           HN       ILE   9   7.867  -4.569  -3.896
   81    HA   ILE   9           HA       ILE   9   8.554  -2.792  -5.980
   82    HB   ILE   9           HB       ILE   9   5.924  -4.184  -5.377
   83   1HG1  ILE   9           HG12     ILE   9   8.237  -4.718  -7.266
   84   2HG1  ILE   9           HG11     ILE   9   7.721  -5.714  -5.904
   85   1HG2  ILE   9           HG22     ILE   9   6.465  -2.046  -7.226
   86   2HG2  ILE   9           HG21     ILE   9   6.143  -3.526  -8.131
   87   3HG2  ILE   9           HG23     ILE   9   4.956  -2.923  -6.972
   88   1HD1  ILE   9           HD12     ILE   9   5.880  -5.108  -8.223
   89   2HD1  ILE   9           HD11     ILE   9   6.980  -6.487  -8.239
   90   3HD1  ILE   9           HD13     ILE   9   5.721  -6.376  -7.008
   91    H    ALA  10           HN       ALA  10   6.578  -2.444  -3.168
   92    HA   ALA  10           HA       ALA  10   5.562   0.215  -3.971
   93   1HB   ALA  10           HB2      ALA  10   4.132  -1.440  -2.681
   94   2HB   ALA  10           HB1      ALA  10   5.246  -1.249  -1.327
   95   3HB   ALA  10           HB3      ALA  10   4.303   0.129  -1.894
   96    H    ALA  11           HN       ALA  11   7.877  -1.386  -1.860
   97    HA   ALA  11           HA       ALA  11   8.676   0.756  -0.234
   98   1HB   ALA  11           HB1      ALA  11  10.421  -1.401  -1.430
   99   2HB   ALA  11           HB3      ALA  11  10.864  -0.371  -0.069
  100   3HB   ALA  11           HB2      ALA  11   9.531  -1.514   0.089
  101    H    LYS  12           HN       LYS  12   9.122   0.254  -3.624
  102    HA   LYS  12           HA       LYS  12  11.298   2.245  -3.801
  103   1HB   LYS  12           HB2      LYS  12  10.315   0.079  -5.442
  104   2HB   LYS  12           HB1      LYS  12  10.426   1.565  -6.388
  105   1HG   LYS  12           HG2      LYS  12  12.600   0.787  -6.596
  106   2HG   LYS  12           HG1      LYS  12  12.760   1.782  -5.149
  107   1HD   LYS  12           HD2      LYS  12  13.714  -0.175  -4.372
  108   2HD   LYS  12           HD1      LYS  12  12.030  -0.480  -3.947
  109   1HE   LYS  12           HE2      LYS  12  11.695  -1.784  -5.961
  110   2HE   LYS  12           HE1      LYS  12  13.300  -1.359  -6.554
  111   1HZ   LYS  12           HZ2      LYS  12  13.253  -2.536  -3.916
  112   2HZ   LYS  12           HZ1      LYS  12  12.740  -3.576  -5.158
  113   3HZ   LYS  12           HZ3      LYS  12  14.275  -2.859  -5.234
  114    H    TYR  13           HN       TYR  13   7.833   2.100  -4.229
  115    HA   TYR  13           HA       TYR  13   7.493   4.273  -6.028
  116   1HB   TYR  13           HB2      TYR  13   5.760   3.221  -3.769
  117   2HB   TYR  13           HB1      TYR  13   5.267   4.609  -4.722
  118    HD1  TYR  13           HD1      TYR  13   7.171   1.673  -5.884
  119    HD2  TYR  13           HD2      TYR  13   3.363   3.705  -6.021
  120    HE1  TYR  13           HE1      TYR  13   6.420   0.133  -7.650
  121    HE2  TYR  13           HE2      TYR  13   2.649   2.162  -7.800
  122    HH   TYR  13           HH       TYR  13   4.715   0.197  -9.524
  123    H    LYS  14           HN       LYS  14   8.968   5.875  -5.638
  124    HA   LYS  14           HA       LYS  14  10.312   7.217  -4.041
  125   1HB   LYS  14           HB2      LYS  14   8.245   8.287  -5.683
  126   2HB   LYS  14           HB1      LYS  14   8.323   9.246  -4.204
  127   1HG   LYS  14           HG2      LYS  14   9.893  10.221  -5.737
  128   2HG   LYS  14           HG1      LYS  14  10.839   9.344  -4.535
  129   1HD   LYS  14           HD2      LYS  14  10.468   7.361  -6.328
  130   2HD   LYS  14           HD1      LYS  14  10.421   8.747  -7.418
  131   1HE   LYS  14           HE2      LYS  14  12.569   9.041  -5.496
  132   2HE   LYS  14           HE1      LYS  14  12.717   7.511  -6.360
  133   1HZ   LYS  14           HZ3      LYS  14  12.080   9.179  -8.346
  134   2HZ   LYS  14           HZ2      LYS  14  12.965  10.224  -7.341
  135   3HZ   LYS  14           HZ1      LYS  14  13.673   8.791  -7.914
  136    H    HIS  15           HN       HIS  15  10.557   7.035  -1.899
  137    HA   HIS  15           HA       HIS  15   8.570   6.599   0.038
  138   1HB   HIS  15           HB2      HIS  15  10.240   7.411   1.685
  139   2HB   HIS  15           HB1      HIS  15  10.954   6.304   0.514
  140    HD1  HIS  15           HD1      HIS  15  12.544   8.575   2.074
  141    HD2  HIS  15           HD2      HIS  15  11.160   8.833  -1.850
  142    HE1  HIS  15           HE1      HIS  15  13.982  10.307   0.920
  143    H    SER  16           HN       SER  16   9.474   9.575  -1.540
  144    HA   SER  16           HA       SER  16   8.742  11.577   0.211
  145   1HB   SER  16           HB2      SER  16   7.803  11.409  -2.664
  146   2HB   SER  16           HB1      SER  16   7.980  12.879  -1.708
  147    HG   SER  16           HG       SER  16   9.805  12.536  -3.011
  148    H    VAL  17           HN       VAL  17   6.418   9.884  -1.898
  149    HA   VAL  17           HA       VAL  17   4.424   9.850   0.247
  150    HB   VAL  17           HB       VAL  17   2.775  10.987  -1.507
  151   1HG1  VAL  17           HG11     VAL  17   3.610  11.698   0.876
  152   2HG1  VAL  17           HG13     VAL  17   4.607  12.847  -0.016
  153   3HG1  VAL  17           HG12     VAL  17   2.851  12.902  -0.167
  154   1HG2  VAL  17           HG21     VAL  17   5.215  11.302  -2.820
  155   2HG2  VAL  17           HG23     VAL  17   3.735  12.196  -3.163
  156   3HG2  VAL  17           HG22     VAL  17   4.940  12.873  -2.070
  157    H    VAL  18           HN       VAL  18   4.883   9.534  -3.278
  158    HA   VAL  18           HA       VAL  18   2.888   7.731  -3.943
  159    HB   VAL  18           HB       VAL  18   4.502   8.575  -5.583
  160   1HG1  VAL  18           HG11     VAL  18   6.356   7.079  -3.787
  161   2HG1  VAL  18           HG13     VAL  18   6.769   7.200  -5.494
  162   3HG1  VAL  18           HG12     VAL  18   6.566   8.663  -4.526
  163   1HG2  VAL  18           HG21     VAL  18   3.718   5.813  -5.313
  164   2HG2  VAL  18           HG23     VAL  18   3.928   6.754  -6.789
  165   3HG2  VAL  18           HG22     VAL  18   5.300   5.898  -6.086
  166    H    LYS  19           HN       LYS  19   5.637   7.152  -1.863
  167    HA   LYS  19           HA       LYS  19   5.649   4.279  -2.048
  168   1HB   LYS  19           HB2      LYS  19   7.587   5.045  -1.041
  169   2HB   LYS  19           HB1      LYS  19   6.753   6.334  -0.183
  170   1HG   LYS  19           HG2      LYS  19   6.425   5.028   1.648
  171   2HG   LYS  19           HG1      LYS  19   5.928   3.644   0.677
  172   1HD   LYS  19           HD2      LYS  19   7.973   2.712   0.784
  173   2HD   LYS  19           HD1      LYS  19   8.761   4.227   0.345
  174   1HE   LYS  19           HE2      LYS  19   8.919   4.942   2.570
  175   2HE   LYS  19           HE1      LYS  19   7.617   3.878   3.102
  176   1HZ   LYS  19           HZ2      LYS  19   9.458   2.162   2.100
  177   2HZ   LYS  19           HZ1      LYS  19  10.424   3.343   2.848
  178   3HZ   LYS  19           HZ3      LYS  19   9.243   2.523   3.747
  179    H    LYS  20           HN       LYS  20   4.809   5.922   0.990
  180    HA   LYS  20           HA       LYS  20   3.169   3.984   2.069
  181   1HB   LYS  20           HB2      LYS  20   2.397   6.901   2.233
  182   2HB   LYS  20           HB1      LYS  20   2.217   5.654   3.467
  183   1HG   LYS  20           HG2      LYS  20   4.792   5.462   3.380
  184   2HG   LYS  20           HG1      LYS  20   4.746   7.006   2.526
  185   1HD   LYS  20           HD2      LYS  20   3.050   7.454   4.660
  186   2HD   LYS  20           HD1      LYS  20   4.300   6.431   5.371
  187   1HE   LYS  20           HE2      LYS  20   5.746   8.152   5.393
  188   2HE   LYS  20           HE1      LYS  20   5.542   8.376   3.655
  189   1HZ   LYS  20           HZ1      LYS  20   3.284   9.302   5.137
  190   2HZ   LYS  20           HZ3      LYS  20   4.710  10.088   5.611
  191   3HZ   LYS  20           HZ2      LYS  20   4.227  10.117   3.982
  192    H    CYS  21           HN       CYS  21   2.428   6.067  -0.608
  193    HA   CYS  21           HA       CYS  21  -0.450   5.770  -0.663
  194   1HB   CYS  21           HB2      CYS  21   1.536   6.168  -2.898
  195   2HB   CYS  21           HB1      CYS  21  -0.205   6.356  -2.972
  196    H    CYS  22           HN       CYS  22   2.057   4.252  -2.713
  197    HA   CYS  22           HA       CYS  22   0.364   2.382  -3.925
  198   1HB   CYS  22           HB2      CYS  22   2.321   2.512  -4.996
  199   2HB   CYS  22           HB1      CYS  22   3.285   2.649  -3.535
  200    H    TYR  23           HN       TYR  23   2.177   2.279  -0.896
  201    HA   TYR  23           HA       TYR  23   1.577  -0.431  -0.191
  202   1HB   TYR  23           HB2      TYR  23   2.226   2.047   1.406
  203   2HB   TYR  23           HB1      TYR  23   1.759   0.554   2.218
  204    HD1  TYR  23           HD2      TYR  23   4.207   2.067  -0.101
  205    HD2  TYR  23           HD1      TYR  23   3.274  -1.298   2.387
  206    HE1  TYR  23           HE2      TYR  23   6.528   1.236  -0.363
  207    HE2  TYR  23           HE1      TYR  23   5.593  -2.142   2.117
  208    HH   TYR  23           HH       TYR  23   7.776  -1.360   1.545
  209    H    ASP  24           HN       ASP  24  -0.057   2.654   0.106
  210    HA   ASP  24           HA       ASP  24  -2.278   1.839   1.703
  211   1HB   ASP  24           HB2      ASP  24  -1.706   4.138  -0.171
  212   2HB   ASP  24           HB1      ASP  24  -3.389   3.811   0.270
  213    H    GLY  25           HN       GLY  25  -1.566   1.593  -1.717
  214   1HA   GLY  25           HA2      GLY  25  -4.221   0.886  -2.589
  215   2HA   GLY  25           HA1      GLY  25  -2.723   0.589  -3.475
  216    H    ALA  26           HN       ALA  26  -1.279  -1.132  -2.163
  217    HA   ALA  26           HA       ALA  26  -2.872  -3.584  -2.230
  218   1HB   ALA  26           HB3      ALA  26  -0.267  -3.022  -2.798
  219   2HB   ALA  26           HB2      ALA  26  -0.110  -3.725  -1.188
  220   3HB   ALA  26           HB1      ALA  26  -0.876  -4.647  -2.482
  221    H    SER  27           HN       SER  27  -2.411  -1.341   0.213
  222    HA   SER  27           HA       SER  27  -2.350  -3.382   2.353
  223   1HB   SER  27           HB2      SER  27  -2.063  -0.414   2.390
  224   2HB   SER  27           HB1      SER  27  -2.170  -1.374   3.842
  225    HG   SER  27           HG       SER  27  -0.174  -1.963   3.560
  226    H    VAL  28           HN       VAL  28  -4.160  -0.397   1.653
  227    HA   VAL  28           HA       VAL  28  -6.229  -0.621   3.452
  228    HB   VAL  28           HB       VAL  28  -7.623   0.553   1.786
  229   1HG1  VAL  28           HG13     VAL  28  -4.874   1.269   2.490
  230   2HG1  VAL  28           HG12     VAL  28  -5.449   2.092   1.040
  231   3HG1  VAL  28           HG11     VAL  28  -6.339   2.249   2.555
  232   1HG2  VAL  28           HG22     VAL  28  -5.529  -0.567  -0.047
  233   2HG2  VAL  28           HG21     VAL  28  -7.278  -0.497  -0.269
  234   3HG2  VAL  28           HG23     VAL  28  -6.306   0.962  -0.462
  235    H    ASN  29           HN       ASN  29  -8.359  -1.598   3.365
  236    HA   ASN  29           HA       ASN  29  -8.544  -4.302   2.902
  237   1HB   ASN  29           HB2      ASN  29 -10.366  -2.294   3.537
  238   2HB   ASN  29           HB1      ASN  29 -11.018  -2.990   2.056
  239   1HD2  ASN  29           HD22     ASN  29 -11.544  -4.996   5.448
  240   2HD2  ASN  29           HD21     ASN  29 -11.162  -3.344   5.358
  241    H    ASN  30           HN       ASN  30  -9.818  -5.474   1.150
  242    HA   ASN  30           HA       ASN  30  -8.601  -5.453  -1.318
  243   1HB   ASN  30           HB2      ASN  30 -11.058  -6.513  -0.249
  244   2HB   ASN  30           HB1      ASN  30 -11.335  -5.935  -1.893
  245   1HD2  ASN  30           HD22     ASN  30  -9.647  -9.458  -1.571
  246   2HD2  ASN  30           HD21     ASN  30 -10.733  -8.749  -0.476
  247    H    ASP  31           HN       ASP  31 -11.003  -3.178  -0.158
  248    HA   ASP  31           HA       ASP  31 -10.482  -1.515  -2.545
  249   1HB   ASP  31           HB2      ASP  31 -13.351  -1.880  -1.745
  250   2HB   ASP  31           HB1      ASP  31 -12.680  -1.385  -3.300
  251    H    GLU  32           HN       GLU  32 -10.367  -1.606   0.645
  252    HA   GLU  32           HA       GLU  32 -11.969   0.405   1.728
  253   1HB   GLU  32           HB2      GLU  32 -10.522  -0.568   3.277
  254   2HB   GLU  32           HB1      GLU  32  -9.119  -0.390   2.230
  255   1HG   GLU  32           HG2      GLU  32  -8.912   1.915   2.715
  256   2HG   GLU  32           HG1      GLU  32 -10.559   2.016   3.342
  257    H    THR  33           HN       THR  33  -8.726   0.919   0.305
  258    HA   THR  33           HA       THR  33  -9.613   3.672  -0.458
  259    HB   THR  33           HB       THR  33  -6.757   2.747  -0.127
  260    HG1  THR  33           HG1      THR  33  -7.263   4.244   1.858
  261   1HG2  THR  33           HG22     THR  33  -8.172   5.348  -0.568
  262   2HG2  THR  33           HG21     THR  33  -6.636   5.337   0.301
  263   3HG2  THR  33           HG23     THR  33  -6.721   4.718  -1.349
  264    H    CYS  34           HN       CYS  34  -7.954   0.740  -1.503
  265    HA   CYS  34           HA       CYS  34  -6.864   1.313  -3.965
  266   1HB   CYS  34           HB2      CYS  34  -7.360  -0.983  -2.855
  267   2HB   CYS  34           HB1      CYS  34  -8.892  -0.913  -3.725
  268    H    GLU  35           HN       GLU  35 -10.293   1.263  -3.148
  269    HA   GLU  35           HA       GLU  35 -11.059   1.866  -5.942
  270   1HB   GLU  35           HB2      GLU  35 -12.324   0.317  -4.256
  271   2HB   GLU  35           HB1      GLU  35 -12.984   1.831  -3.636
  272   1HG   GLU  35           HG2      GLU  35 -14.183   2.257  -5.555
  273   2HG   GLU  35           HG1      GLU  35 -13.010   1.445  -6.593
  274    H    GLN  36           HN       GLN  36 -12.155   3.345  -2.869
  275    HA   GLN  36           HA       GLN  36 -13.090   5.746  -3.804
  276   1HB   GLN  36           HB2      GLN  36 -12.012   4.812  -1.292
  277   2HB   GLN  36           HB1      GLN  36 -11.542   6.491  -1.565
  278   1HG   GLN  36           HG2      GLN  36 -14.291   6.122  -2.351
  279   2HG   GLN  36           HG1      GLN  36 -14.064   5.533  -0.704
  280   1HE2  GLN  36           HE22     GLN  36 -14.052   9.504  -1.398
  281   2HE2  GLN  36           HE21     GLN  36 -14.437   8.375  -2.605
  282    H    ARG  37           HN       ARG  37  -9.746   4.765  -3.708
  283    HA   ARG  37           HA       ARG  37  -8.895   7.470  -4.559
  284   1HB   ARG  37           HB2      ARG  37  -7.628   5.253  -3.129
  285   2HB   ARG  37           HB1      ARG  37  -6.608   5.928  -4.401
  286   1HG   ARG  37           HG2      ARG  37  -7.134   8.223  -3.464
  287   2HG   ARG  37           HG1      ARG  37  -7.889   7.408  -2.093
  288   1HD   ARG  37           HD2      ARG  37  -5.817   6.351  -1.477
  289   2HD   ARG  37           HD1      ARG  37  -5.038   6.884  -2.968
  290    HE   ARG  37           HE       ARG  37  -5.817   9.248  -1.765
  291   1HH1  ARG  37           HH21     ARG  37  -4.039   6.443  -0.814
  292   2HH1  ARG  37           HH22     ARG  37  -3.022   7.305   0.292
  293   1HH2  ARG  37           HH12     ARG  37  -4.496  10.381  -0.326
  294   2HH2  ARG  37           HH11     ARG  37  -3.280   9.531   0.568
  295    H    ALA  38           HN       ALA  38  -8.770   4.039  -5.692
  296    HA   ALA  38           HA       ALA  38  -7.536   4.951  -8.205
  297   1HB   ALA  38           HB2      ALA  38  -7.179   2.653  -7.073
  298   2HB   ALA  38           HB1      ALA  38  -8.746   2.226  -7.760
  299   3HB   ALA  38           HB3      ALA  38  -7.412   2.676  -8.821
  300    H    ALA  39           HN       ALA  39 -10.478   5.556  -7.148
  301    HA   ALA  39           HA       ALA  39 -11.627   5.395  -9.871
  302   1HB   ALA  39           HB3      ALA  39 -12.641   3.912  -7.486
  303   2HB   ALA  39           HB2      ALA  39 -13.829   4.620  -8.582
  304   3HB   ALA  39           HB1      ALA  39 -12.658   3.448  -9.187
  305    H    ARG  40           HN       ARG  40 -12.633   6.226  -6.518
  306    HA   ARG  40           HA       ARG  40 -13.917   8.667  -7.623
  307   1HB   ARG  40           HB2      ARG  40 -14.035   7.800  -4.741
  308   2HB   ARG  40           HB1      ARG  40 -15.208   8.745  -5.658
  309   1HG   ARG  40           HG2      ARG  40 -14.561   5.884  -6.379
  310   2HG   ARG  40           HG1      ARG  40 -15.810   6.287  -5.202
  311   1HD   ARG  40           HD2      ARG  40 -15.702   7.255  -8.074
  312   2HD   ARG  40           HD1      ARG  40 -16.802   6.033  -7.435
  313    HE   ARG  40           HE       ARG  40 -17.267   8.241  -5.830
  314   1HH1  ARG  40           HH21     ARG  40 -17.193   7.591  -9.221
  315   2HH1  ARG  40           HH22     ARG  40 -18.386   8.785  -9.606
  316   1HH2  ARG  40           HH12     ARG  40 -18.823   9.800  -6.322
  317   2HH2  ARG  40           HH11     ARG  40 -19.308  10.035  -7.968
  318    H    ILE  41           HN       ILE  41 -11.765   9.695  -7.992
  319    HA   ILE  41           HA       ILE  41 -10.432  10.572  -5.472
  320    HB   ILE  41           HB       ILE  41  -9.471  11.025  -8.306
  321   1HG1  ILE  41           HG12     ILE  41  -8.000   8.989  -6.934
  322   2HG1  ILE  41           HG11     ILE  41  -9.705   8.550  -6.901
  323   1HG2  ILE  41           HG23     ILE  41  -8.546  12.377  -6.369
  324   2HG2  ILE  41           HG22     ILE  41  -7.950  10.861  -5.694
  325   3HG2  ILE  41           HG21     ILE  41  -7.353  11.429  -7.250
  326   1HD1  ILE  41           HD11     ILE  41  -9.292   9.497  -9.495
  327   2HD1  ILE  41           HD13     ILE  41  -7.848   8.550  -9.141
  328   3HD1  ILE  41           HD12     ILE  41  -9.443   7.808  -9.013
  329    H    SER  42           HN       SER  42  -9.931  12.880  -5.243
  330    HA   SER  42           HA       SER  42 -12.151  14.554  -6.174
  331   1HB   SER  42           HB2      SER  42 -10.314  14.592  -3.994
  332   2HB   SER  42           HB1      SER  42 -10.098  16.090  -4.893
  333    HG   SER  42           HG       SER  42 -11.806  16.629  -3.754
  334    H    LEU  43           HN       LEU  43  -8.591  14.561  -6.562
  335    HA   LEU  43           HA       LEU  43  -8.950  15.787  -9.219
  336   1HB   LEU  43           HB2      LEU  43  -7.637  17.734  -8.817
  337   2HB   LEU  43           HB1      LEU  43  -8.814  17.669  -7.512
  338    HG   LEU  43           HG       LEU  43  -6.824  18.143  -6.377
  339   1HD1  LEU  43           HD13     LEU  43  -7.995  16.032  -5.558
  340   2HD1  LEU  43           HD12     LEU  43  -6.730  15.122  -6.384
  341   3HD1  LEU  43           HD11     LEU  43  -6.310  16.217  -5.067
  342   1HD2  LEU  43           HD21     LEU  43  -5.569  17.359  -8.658
  343   2HD2  LEU  43           HD23     LEU  43  -4.726  17.686  -7.143
  344   3HD2  LEU  43           HD22     LEU  43  -5.139  16.028  -7.583
  345    H    GLY  44           HN       GLY  44  -7.614  13.393  -7.609
  346   1HA   GLY  44           HA2      GLY  44  -5.896  11.910  -8.255
  347   2HA   GLY  44           HA1      GLY  44  -5.476  13.030  -9.547
  348    HA   PRO  45           HA       PRO  45  -3.395  14.834  -5.435
  349   1HB   PRO  45           HB2      PRO  45  -3.299  12.516  -3.716
  350   2HB   PRO  45           HB1      PRO  45  -4.001  14.103  -3.387
  351   1HG   PRO  45           HG2      PRO  45  -5.382  11.672  -3.852
  352   2HG   PRO  45           HG1      PRO  45  -6.077  13.282  -3.646
  353   1HD   PRO  45           HD2      PRO  45  -5.973  11.699  -6.025
  354   2HD   PRO  45           HD1      PRO  45  -6.665  13.312  -5.820
  355    H    ARG  46           HN       ARG  46  -2.845  11.306  -5.232
  356    HA   ARG  46           HA       ARG  46  -0.659  11.196  -7.044
  357   1HB   ARG  46           HB2      ARG  46   0.217  12.775  -5.171
  358   2HB   ARG  46           HB1      ARG  46   0.344  11.304  -4.204
  359   1HG   ARG  46           HG2      ARG  46   2.098  10.499  -5.419
  360   2HG   ARG  46           HG1      ARG  46   1.448  11.107  -6.943
  361   1HD   ARG  46           HD2      ARG  46   2.051  13.451  -6.060
  362   2HD   ARG  46           HD1      ARG  46   3.020  12.612  -4.849
  363    HE   ARG  46           HE       ARG  46   3.833  11.492  -7.254
  364   1HH1  ARG  46           HH21     ARG  46   3.537  14.672  -5.938
  365   2HH1  ARG  46           HH22     ARG  46   4.850  15.317  -6.865
  366   1HH2  ARG  46           HH12     ARG  46   5.546  12.323  -8.468
  367   2HH2  ARG  46           HH11     ARG  46   5.986  13.990  -8.295
  368    H    CYS  47           HN       CYS  47  -1.614  10.002  -3.789
  369    HA   CYS  47           HA       CYS  47  -0.540   7.410  -4.154
  370   1HB   CYS  47           HB2      CYS  47  -3.053   7.950  -2.550
  371   2HB   CYS  47           HB1      CYS  47  -1.900   6.664  -2.298
  372    H    ILE  48           HN       ILE  48  -3.559   8.815  -5.245
  373    HA   ILE  48           HA       ILE  48  -4.778   6.342  -5.897
  374    HB   ILE  48           HB       ILE  48  -6.312   7.610  -7.246
  375   1HG1  ILE  48           HG12     ILE  48  -4.568   8.881  -8.556
  376   2HG1  ILE  48           HG11     ILE  48  -5.926   9.863  -8.033
  377   1HG2  ILE  48           HG23     ILE  48  -5.514   8.453  -4.635
  378   2HG2  ILE  48           HG22     ILE  48  -6.032   9.869  -5.549
  379   3HG2  ILE  48           HG21     ILE  48  -7.122   8.496  -5.357
  380   1HD1  ILE  48           HD13     ILE  48  -4.544  10.503  -5.999
  381   2HD1  ILE  48           HD12     ILE  48  -3.165   9.754  -6.798
  382   3HD1  ILE  48           HD11     ILE  48  -3.967  11.138  -7.539
  383    H    LYS  49           HN       LYS  49  -2.844   8.510  -8.068
  384    HA   LYS  49           HA       LYS  49  -2.894   6.683 -10.259
  385   1HB   LYS  49           HB2      LYS  49  -0.808   8.752  -9.507
  386   2HB   LYS  49           HB1      LYS  49  -0.956   7.977 -11.081
  387   1HG   LYS  49           HG2      LYS  49  -2.919   9.100 -11.611
  388   2HG   LYS  49           HG1      LYS  49  -3.356   9.338  -9.918
  389   1HD   LYS  49           HD2      LYS  49  -1.966  11.178  -9.673
  390   2HD   LYS  49           HD1      LYS  49  -0.865  10.645 -10.945
  391   1HE   LYS  49           HE2      LYS  49  -3.643  11.245 -11.802
  392   2HE   LYS  49           HE1      LYS  49  -2.675  12.629 -11.298
  393   1HZ   LYS  49           HZ2      LYS  49  -0.954  11.215 -12.825
  394   2HZ   LYS  49           HZ1      LYS  49  -2.427  10.974 -13.636
  395   3HZ   LYS  49           HZ3      LYS  49  -1.862  12.549 -13.357
  396    H    ALA  50           HN       ALA  50  -0.154   7.369  -8.048
  397    HA   ALA  50           HA       ALA  50   1.520   5.236  -8.795
  398   1HB   ALA  50           HB1      ALA  50   2.117   6.976  -7.096
  399   2HB   ALA  50           HB3      ALA  50   1.043   6.168  -5.955
  400   3HB   ALA  50           HB2      ALA  50   2.470   5.332  -6.562
  401    H    PHE  51           HN       PHE  51  -0.593   5.284  -6.018
  402    HA   PHE  51           HA       PHE  51  -0.381   2.513  -5.608
  403   1HB   PHE  51           HB2      PHE  51  -1.276   3.044  -3.680
  404   2HB   PHE  51           HB1      PHE  51  -1.290   4.698  -4.181
  405    HD1  PHE  51           HD1      PHE  51  -3.578   4.423  -6.233
  406    HD2  PHE  51           HD2      PHE  51  -3.114   3.054  -2.220
  407    HE1  PHE  51           HE1      PHE  51  -6.032   4.375  -5.967
  408    HE2  PHE  51           HE2      PHE  51  -5.563   3.022  -1.943
  409    HZ   PHE  51           HZ       PHE  51  -7.029   3.675  -3.825
  410    H    THR  52           HN       THR  52  -2.187   4.122  -7.988
  411    HA   THR  52           HA       THR  52  -4.469   2.285  -8.005
  412    HB   THR  52           HB       THR  52  -3.513   4.504  -9.783
  413    HG1  THR  52           HG1      THR  52  -6.183   3.997  -9.310
  414   1HG2  THR  52           HG21     THR  52  -5.269   2.213 -10.680
  415   2HG2  THR  52           HG23     THR  52  -5.371   3.813 -11.417
  416   3HG2  THR  52           HG22     THR  52  -3.866   2.898 -11.503
  417    H    GLU  53           HN       GLU  53  -1.492   2.731  -9.926
  418    HA   GLU  53           HA       GLU  53  -1.975   0.220 -11.376
  419   1HB   GLU  53           HB2      GLU  53   0.679   1.657 -11.120
  420   2HB   GLU  53           HB1      GLU  53   0.124   0.615 -12.432
  421   1HG   GLU  53           HG2      GLU  53  -1.547   3.003 -11.840
  422   2HG   GLU  53           HG1      GLU  53   0.022   3.303 -12.586
  423    H    CYS  54           HN       CYS  54  -0.406   1.236  -8.442
  424    HA   CYS  54           HA       CYS  54   1.102  -1.231  -8.063
  425   1HB   CYS  54           HB2      CYS  54   2.045   0.587  -6.967
  426   2HB   CYS  54           HB1      CYS  54   0.486   1.218  -6.422
  427    H    CYS  55           HN       CYS  55  -2.052  -0.008  -7.073
  428    HA   CYS  55           HA       CYS  55  -2.554  -2.256  -5.278
  429   1HB   CYS  55           HB2      CYS  55  -3.623   0.021  -4.978
  430   2HB   CYS  55           HB1      CYS  55  -4.603  -0.307  -6.404
  431    H    VAL  56           HN       VAL  56  -3.510  -1.285  -8.550
  432    HA   VAL  56           HA       VAL  56  -5.232  -3.517  -9.057
  433    HB   VAL  56           HB       VAL  56  -4.937  -2.964 -11.429
  434   1HG1  VAL  56           HG12     VAL  56  -5.271  -0.769  -9.418
  435   2HG1  VAL  56           HG11     VAL  56  -5.212  -0.343 -11.128
  436   3HG1  VAL  56           HG13     VAL  56  -6.452  -1.449 -10.538
  437   1HG2  VAL  56           HG22     VAL  56  -2.644  -1.266 -10.398
  438   2HG2  VAL  56           HG21     VAL  56  -2.536  -2.635 -11.504
  439   3HG2  VAL  56           HG23     VAL  56  -3.305  -1.138 -12.028
  440    H    VAL  57           HN       VAL  57  -1.749  -2.966  -9.733
  441    HA   VAL  57           HA       VAL  57  -1.275  -5.548 -10.854
  442    HB   VAL  57           HB       VAL  57   0.438  -3.853 -11.041
  443   1HG1  VAL  57           HG11     VAL  57  -0.291  -3.030  -8.585
  444   2HG1  VAL  57           HG13     VAL  57   1.152  -3.950  -8.156
  445   3HG1  VAL  57           HG12     VAL  57   1.263  -2.612  -9.301
  446   1HG2  VAL  57           HG23     VAL  57   0.910  -6.465 -10.199
  447   2HG2  VAL  57           HG22     VAL  57   2.109  -5.375 -10.895
  448   3HG2  VAL  57           HG21     VAL  57   1.938  -5.496  -9.144
  449    H    ALA  58           HN       ALA  58  -0.850  -4.414  -7.471
  450    HA   ALA  58           HA       ALA  58  -0.035  -6.774  -6.264
  451   1HB   ALA  58           HB1      ALA  58  -0.641  -4.446  -5.232
  452   2HB   ALA  58           HB3      ALA  58  -2.230  -5.170  -4.986
  453   3HB   ALA  58           HB2      ALA  58  -0.806  -5.894  -4.239
  454    H    SER  59           HN       SER  59  -3.457  -5.827  -6.638
  455    HA   SER  59           HA       SER  59  -4.491  -8.385  -5.842
  456   1HB   SER  59           HB2      SER  59  -6.217  -7.009  -7.727
  457   2HB   SER  59           HB1      SER  59  -6.471  -7.321  -6.011
  458    HG   SER  59           HG       SER  59  -5.758  -5.384  -5.555
  459    H    GLN  60           HN       GLN  60  -4.795  -6.952  -9.066
  460    HA   GLN  60           HA       GLN  60  -5.531  -8.951 -10.661
  461   1HB   GLN  60           HB2      GLN  60  -3.300  -6.983 -11.094
  462   2HB   GLN  60           HB1      GLN  60  -3.703  -8.159 -12.346
  463   1HG   GLN  60           HG2      GLN  60  -6.129  -6.986 -11.334
  464   2HG   GLN  60           HG1      GLN  60  -5.013  -5.703 -11.805
  465   1HE2  GLN  60           HE22     GLN  60  -6.887  -6.727 -14.868
  466   2HE2  GLN  60           HE21     GLN  60  -7.307  -6.049 -13.368
  467    H    LEU  61           HN       LEU  61  -1.984  -8.666 -10.018
  468    HA   LEU  61           HA       LEU  61  -1.537 -11.333 -11.024
  469   1HB   LEU  61           HB2      LEU  61   0.337 -10.282  -8.991
  470   2HB   LEU  61           HB1      LEU  61   0.668 -11.090 -10.513
  471    HG   LEU  61           HG       LEU  61   0.218  -8.223  -9.939
  472   1HD1  LEU  61           HD11     LEU  61   2.460  -9.285 -10.323
  473   2HD1  LEU  61           HD13     LEU  61   1.945  -9.631 -11.975
  474   3HD1  LEU  61           HD12     LEU  61   2.090  -7.959 -11.428
  475   1HD2  LEU  61           HD23     LEU  61  -1.009  -9.676 -12.181
  476   2HD2  LEU  61           HD22     LEU  61  -1.310  -8.027 -11.627
  477   3HD2  LEU  61           HD21     LEU  61   0.046  -8.361 -12.707
  478    H    ARG  62           HN       ARG  62  -1.856 -10.044  -7.713
  479    HA   ARG  62           HA       ARG  62  -1.297 -12.269  -6.213
  480   1HB   ARG  62           HB2      ARG  62  -3.197 -10.054  -5.926
  481   2HB   ARG  62           HB1      ARG  62  -3.746 -11.517  -5.107
  482   1HG   ARG  62           HG2      ARG  62  -1.534 -11.688  -3.983
  483   2HG   ARG  62           HG1      ARG  62  -1.050 -10.175  -4.749
  484   1HD   ARG  62           HD2      ARG  62  -2.893  -8.998  -3.633
  485   2HD   ARG  62           HD1      ARG  62  -3.425 -10.508  -2.894
  486    HE   ARG  62           HE       ARG  62  -0.788 -10.278  -2.085
  487   1HH1  ARG  62           HH21     ARG  62  -3.603  -8.276  -2.015
  488   2HH1  ARG  62           HH22     ARG  62  -3.144  -7.462  -0.558
  489   1HH2  ARG  62           HH12     ARG  62  -0.182  -9.222  -0.182
  490   2HH2  ARG  62           HH11     ARG  62  -1.212  -7.996   0.479
  491    H    ALA  63           HN       ALA  63  -4.365 -11.806  -8.017
  492    HA   ALA  63           HA       ALA  63  -5.578 -14.269  -7.321
  493   1HB   ALA  63           HB1      ALA  63  -6.329 -12.321  -8.993
  494   2HB   ALA  63           HB3      ALA  63  -5.616 -13.397 -10.194
  495   3HB   ALA  63           HB2      ALA  63  -6.947 -13.962  -9.185
  496    H    ASN  64           HN       ASN  64  -3.381 -13.521 -10.023
  497    HA   ASN  64           HA       ASN  64  -2.171 -16.218  -9.718
  498   1HB   ASN  64           HB2      ASN  64  -3.919 -16.346 -11.512
  499   2HB   ASN  64           HB1      ASN  64  -3.040 -15.101 -12.400
  500   1HD2  ASN  64           HD22     ASN  64  -1.649 -18.132 -13.850
  501   2HD2  ASN  64           HD21     ASN  64  -3.004 -17.119 -13.990
  502    H    ILE  65           HN       ILE  65  -0.405 -14.813  -8.778
  503    HA   ILE  65           HA       ILE  65   0.938 -12.920 -10.585
  504    HB   ILE  65           HB       ILE  65   2.560 -13.855  -8.324
  505   1HG1  ILE  65           HG12     ILE  65  -0.202 -12.745  -7.816
  506   2HG1  ILE  65           HG11     ILE  65   0.452 -14.270  -7.220
  507   1HG2  ILE  65           HG21     ILE  65   2.177 -11.511  -9.823
  508   2HG2  ILE  65           HG23     ILE  65   1.595 -11.116  -8.207
  509   3HG2  ILE  65           HG22     ILE  65   3.234 -11.704  -8.432
  510   1HD1  ILE  65           HD11     ILE  65   2.259 -12.862  -6.070
  511   2HD1  ILE  65           HD13     ILE  65   1.244 -11.464  -6.425
  512   3HD1  ILE  65           HD12     ILE  65   0.634 -12.756  -5.391
  513    H    SER  66           HN       SER  66   0.786 -15.485 -11.800
  514    HA   SER  66           HA       SER  66   3.585 -16.485 -11.579
  515   1HB   SER  66           HB2      SER  66   1.497 -18.029 -11.307
  516   2HB   SER  66           HB1      SER  66   1.377 -17.901 -13.059
  517    HG   SER  66           HG       SER  66   3.871 -18.461 -11.926
  518    H    HIS  67           HN       HIS  67   1.684 -14.477 -13.452
  519    HA   HIS  67           HA       HIS  67   3.179 -15.151 -15.949
  520   1HB   HIS  67           HB2      HIS  67   0.525 -14.839 -15.721
  521   2HB   HIS  67           HB1      HIS  67   0.967 -13.148 -15.958
  522    HD1  HIS  67           HD1      HIS  67  -0.561 -14.243 -18.238
  523    HD2  HIS  67           HD2      HIS  67   3.564 -14.776 -17.973
  524    HE1  HIS  67           HE1      HIS  67   0.252 -14.720 -20.588
  525    H    LYS  68           HN       LYS  68   2.650 -12.472 -17.048
  526    HA   LYS  68           HA       LYS  68   5.050 -11.160 -16.311
  527   1HB   LYS  68           HB2      LYS  68   2.552 -10.321 -17.742
  528   2HB   LYS  68           HB1      LYS  68   3.726  -9.086 -17.285
  529   1HG   LYS  68           HG2      LYS  68   4.496 -11.598 -18.786
  530   2HG   LYS  68           HG1      LYS  68   4.055 -10.095 -19.598
  531   1HD   LYS  68           HD2      LYS  68   5.840  -8.928 -18.271
  532   2HD   LYS  68           HD1      LYS  68   6.342 -10.501 -17.652
  533   1HE   LYS  68           HE2      LYS  68   6.604 -11.247 -20.064
  534   2HE   LYS  68           HE1      LYS  68   6.372  -9.562 -20.530
  535   1HZ   LYS  68           HZ3      LYS  68   8.287  -9.865 -18.427
  536   2HZ   LYS  68           HZ2      LYS  68   8.734 -10.719 -19.825
  537   3HZ   LYS  68           HZ1      LYS  68   8.428  -9.049 -19.908
  538    H    ASP  69           HN       ASP  69   4.968  -8.775 -15.409
  539    HA   ASP  69           HA       ASP  69   3.100  -8.678 -13.080
  540   1HB   ASP  69           HB2      ASP  69   6.085  -8.148 -13.078
  541   2HB   ASP  69           HB1      ASP  69   5.010  -7.752 -11.736
  542    H    MET  70           HN       MET  70   2.160  -6.693 -12.793
  543    HA   MET  70           HA       MET  70   2.874  -4.565 -14.714
  544   1HB   MET  70           HB2      MET  70   0.471  -5.430 -13.504
  545   2HB   MET  70           HB1      MET  70   0.797  -3.831 -12.842
  546   1HG   MET  70           HG2      MET  70  -0.106  -3.024 -14.750
  547   2HG   MET  70           HG1      MET  70   1.406  -3.513 -15.520
  548   1HE   MET  70           HE3      MET  70  -1.809  -4.343 -14.204
  549   2HE   MET  70           HE2      MET  70  -2.682  -4.570 -15.717
  550   3HE   MET  70           HE1      MET  70  -2.224  -5.972 -14.753
  551    H    CYS  71           HN       CYS  71   1.967  -2.396 -13.029
  552    HA   CYS  71           HA       CYS  71   4.343  -1.427 -11.952
  553   1HB   CYS  71           HB2      CYS  71   1.458  -0.908 -11.224
  554   2HB   CYS  71           HB1      CYS  71   2.774  -0.018 -10.449
  555   1H    CYS  72           HN3      CYS  72   3.107   4.722 -11.807
  556   2H    CYS  72           HN2      CYS  72   1.727   3.744 -11.962
  557   3H    CYS  72           HN1      CYS  72   1.650   5.194 -11.079
  558    HA   CYS  72           HA       CYS  72   1.776   3.552  -9.445
  559   1HB   CYS  72           HB2      CYS  72   3.971   2.030  -9.776
  560   2HB   CYS  72           HB1      CYS  72   2.334   1.555 -10.209
  561    H    LEU  73           HN       LEU  73   5.092   3.731 -10.670
  562    HA   LEU  73           HA       LEU  73   6.325   4.412  -8.293
  563   1HB   LEU  73           HB2      LEU  73   8.170   5.304  -9.610
  564   2HB   LEU  73           HB1      LEU  73   7.503   3.900 -10.445
  565    HG   LEU  73           HG       LEU  73   6.141   6.372 -11.193
  566   1HD1  LEU  73           HD12     LEU  73   8.898   6.655 -10.789
  567   2HD1  LEU  73           HD11     LEU  73   8.729   6.384 -12.523
  568   3HD1  LEU  73           HD13     LEU  73   7.867   7.714 -11.749
  569   1HD2  LEU  73           HD21     LEU  73   6.208   4.021 -12.293
  570   2HD2  LEU  73           HD23     LEU  73   6.299   5.425 -13.355
  571   3HD2  LEU  73           HD22     LEU  73   7.763   4.529 -12.951
  572    H    GLY  74           HN       GLY  74   7.438   6.697  -7.926
  573   1HA   GLY  74           HA2      GLY  74   5.486   8.875  -8.498
  574   2HA   GLY  74           HA1      GLY  74   5.985   8.582  -6.831
  575   1HN   DAR  75           HN       ARG  75   7.342   9.284 -10.059
  576    HA   DAR  75           HA       ARG  75   9.973   9.884  -9.405
  577   1HB   DAR  75           HB1      ARG  75   8.167  11.705  -8.101
  578   2HB   DAR  75           HB2      ARG  75   9.121  12.590  -9.292
  579   1HG   DAR  75           HG1      ARG  75  11.147  12.052  -8.258
  580   2HG   DAR  75           HG2      ARG  75  10.477  10.627  -7.463
  581   1HD   DAR  75           HD1      ARG  75  10.461  12.025  -5.643
  582   2HD   DAR  75           HD2      ARG  75   8.926  12.542  -6.345
  583    HNE  DAR  75           HE       ARG  75  11.184  14.037  -7.405
  584   1HH1  DAR  75           HH11     ARG  75  11.301  16.207  -6.800
  585   2HH1  DAR  75           HH12     ARG  75  10.360  16.773  -5.461
  586   1HH2  DAR  75           HH21     ARG  75   8.942  13.680  -4.802
  587   2HH2  DAR  75           HH22     ARG  75   9.026  15.344  -4.333
   
  No H/Q in entry =         587
  Start of MODEL   16
    1   1H    MET   1           HN1      MET   1  17.047 -14.544   4.630
    2   2H    MET   1           HN3      MET   1  17.635 -13.272   5.587
    3   3H    MET   1           HN2      MET   1  16.150 -14.006   5.968
    4    HA   MET   1           HA       MET   1  15.331 -12.202   4.905
    5   1HB   MET   1           HB2      MET   1  18.079 -12.125   3.870
    6   2HB   MET   1           HB1      MET   1  16.877 -11.582   2.699
    7   1HG   MET   1           HG2      MET   1  16.289 -10.514   5.328
    8   2HG   MET   1           HG1      MET   1  17.931 -10.094   4.839
    9   1HE   MET   1           HE1      MET   1  14.683  -9.292   5.124
   10   2HE   MET   1           HE3      MET   1  15.417  -7.684   5.041
   11   3HE   MET   1           HE2      MET   1  14.181  -8.154   3.877
   12    H    LEU   2           HN       LEU   2  14.409 -11.838   2.610
   13    HA   LEU   2           HA       LEU   2  14.552 -14.100   0.779
   14   1HB   LEU   2           HB2      LEU   2  11.987 -14.467   1.000
   15   2HB   LEU   2           HB1      LEU   2  13.044 -15.227   2.185
   16    HG   LEU   2           HG       LEU   2  10.994 -14.033   3.122
   17   1HD1  LEU   2           HD13     LEU   2  13.452 -14.435   4.181
   18   2HD1  LEU   2           HD12     LEU   2  13.352 -12.679   4.308
   19   3HD1  LEU   2           HD11     LEU   2  12.127 -13.690   5.075
   20   1HD2  LEU   2           HD23     LEU   2  11.379 -12.044   1.509
   21   2HD2  LEU   2           HD22     LEU   2  10.918 -11.672   3.169
   22   3HD2  LEU   2           HD21     LEU   2  12.599 -11.518   2.667
   23    H    GLN   3           HN       GLN   3  12.469 -13.749  -0.829
   24    HA   GLN   3           HA       GLN   3  12.721 -10.900  -1.642
   25   1HB   GLN   3           HB2      GLN   3  13.139 -12.974  -3.189
   26   2HB   GLN   3           HB1      GLN   3  11.379 -13.030  -3.289
   27   1HG   GLN   3           HG2      GLN   3  11.594 -10.468  -3.806
   28   2HG   GLN   3           HG1      GLN   3  13.256 -10.881  -4.229
   29   1HE2  GLN   3           HE21     GLN   3  13.085 -10.720  -6.526
   30   2HE2  GLN   3           HE22     GLN   3  12.059 -11.707  -7.449
   31    H    LYS   4           HN       LYS   4  10.852  -9.625  -2.047
   32    HA   LYS   4           HA       LYS   4   8.353 -10.715  -0.818
   33   1HB   LYS   4           HB2      LYS   4   9.373  -7.866  -1.014
   34   2HB   LYS   4           HB1      LYS   4   7.777  -8.306  -0.404
   35   1HG   LYS   4           HG2      LYS   4   8.817  -9.681   1.356
   36   2HG   LYS   4           HG1      LYS   4  10.418  -9.266   0.741
   37   1HD   LYS   4           HD2      LYS   4  10.130  -6.951   1.307
   38   2HD   LYS   4           HD1      LYS   4   8.415  -7.185   1.649
   39   1HE   LYS   4           HE2      LYS   4   8.812  -8.069   3.716
   40   2HE   LYS   4           HE1      LYS   4  10.262  -8.918   3.184
   41   1HZ   LYS   4           HZ1      LYS   4  10.833  -6.225   2.987
   42   2HZ   LYS   4           HZ3      LYS   4  10.038  -6.407   4.475
   43   3HZ   LYS   4           HZ2      LYS   4  11.432  -7.319   4.141
   44    H    LYS   5           HN       LYS   5   6.325 -10.034  -1.832
   45    HA   LYS   5           HA       LYS   5   6.525 -10.054  -4.741
   46   1HB   LYS   5           HB2      LYS   5   4.053  -9.697  -3.022
   47   2HB   LYS   5           HB1      LYS   5   4.108 -10.222  -4.706
   48   1HG   LYS   5           HG2      LYS   5   5.583 -12.160  -3.871
   49   2HG   LYS   5           HG1      LYS   5   5.044 -11.712  -2.252
   50   1HD   LYS   5           HD2      LYS   5   2.712 -11.755  -3.825
   51   2HD   LYS   5           HD1      LYS   5   3.622 -13.191  -4.295
   52   1HE   LYS   5           HE2      LYS   5   3.948 -13.360  -1.636
   53   2HE   LYS   5           HE1      LYS   5   2.413 -12.492  -1.664
   54   1HZ   LYS   5           HZ2      LYS   5   2.711 -14.791  -3.444
   55   2HZ   LYS   5           HZ1      LYS   5   2.524 -15.103  -1.785
   56   3HZ   LYS   5           HZ3      LYS   5   1.336 -14.227  -2.620
   57    H    ILE   6           HN       ILE   6   3.885  -8.103  -3.942
   58    HA   ILE   6           HA       ILE   6   5.076  -5.818  -5.269
   59    HB   ILE   6           HB       ILE   6   2.409  -6.439  -4.032
   60   1HG1  ILE   6           HG12     ILE   6   3.110  -7.012  -6.421
   61   2HG1  ILE   6           HG11     ILE   6   1.624  -6.078  -6.263
   62   1HG2  ILE   6           HG21     ILE   6   3.306  -3.686  -4.942
   63   2HG2  ILE   6           HG23     ILE   6   1.654  -4.138  -4.521
   64   3HG2  ILE   6           HG22     ILE   6   2.912  -4.141  -3.285
   65   1HD1  ILE   6           HD11     ILE   6   3.842  -4.261  -6.368
   66   2HD1  ILE   6           HD13     ILE   6   3.965  -5.386  -7.721
   67   3HD1  ILE   6           HD12     ILE   6   2.503  -4.425  -7.504
   68    H    GLU   7           HN       GLU   7   5.397  -6.962  -2.159
   69    HA   GLU   7           HA       GLU   7   5.117  -4.735  -0.470
   70   1HB   GLU   7           HB2      GLU   7   6.220  -7.267  -0.231
   71   2HB   GLU   7           HB1      GLU   7   7.612  -6.209  -0.005
   72   1HG   GLU   7           HG2      GLU   7   6.869  -6.121   2.152
   73   2HG   GLU   7           HG1      GLU   7   5.762  -4.909   1.508
   74    H    GLU   8           HN       GLU   8   8.290  -5.714  -1.821
   75    HA   GLU   8           HA       GLU   8   9.376  -3.061  -1.470
   76   1HB   GLU   8           HB2      GLU   8  11.296  -3.900  -2.764
   77   2HB   GLU   8           HB1      GLU   8  10.798  -5.111  -1.582
   78   1HG   GLU   8           HG2      GLU   8   9.552  -6.326  -3.305
   79   2HG   GLU   8           HG1      GLU   8   9.956  -5.089  -4.496
   80    H    ILE   9           HN       ILE   9   7.663  -4.673  -4.099
   81    HA   ILE   9           HA       ILE   9   8.299  -2.936  -6.239
   82    HB   ILE   9           HB       ILE   9   5.552  -4.031  -5.517
   83   1HG1  ILE   9           HG12     ILE   9   7.465  -5.706  -5.758
   84   2HG1  ILE   9           HG11     ILE   9   6.108  -5.942  -6.860
   85   1HG2  ILE   9           HG23     ILE   9   6.681  -2.599  -7.880
   86   2HG2  ILE   9           HG22     ILE   9   5.556  -3.919  -8.195
   87   3HG2  ILE   9           HG21     ILE   9   5.052  -2.547  -7.209
   88   1HD1  ILE   9           HD13     ILE   9   8.564  -4.340  -7.609
   89   2HD1  ILE   9           HD12     ILE   9   8.414  -6.068  -7.930
   90   3HD1  ILE   9           HD11     ILE   9   7.293  -4.931  -8.680
   91    H    ALA  10           HN       ALA  10   6.444  -2.531  -3.341
   92    HA   ALA  10           HA       ALA  10   5.504   0.173  -4.075
   93   1HB   ALA  10           HB3      ALA  10   4.092  -1.415  -2.696
   94   2HB   ALA  10           HB2      ALA  10   5.296  -1.282  -1.415
   95   3HB   ALA  10           HB1      ALA  10   4.382   0.141  -1.918
   96    H    ALA  11           HN       ALA  11   7.918  -1.491  -2.143
   97    HA   ALA  11           HA       ALA  11   8.872   0.637  -0.568
   98   1HB   ALA  11           HB3      ALA  11  10.468  -1.588  -1.844
   99   2HB   ALA  11           HB2      ALA  11  11.031  -0.558  -0.527
  100   3HB   ALA  11           HB1      ALA  11   9.674  -1.654  -0.270
  101    H    LYS  12           HN       LYS  12   9.129   0.069  -3.976
  102    HA   LYS  12           HA       LYS  12  11.350   1.985  -4.309
  103   1HB   LYS  12           HB2      LYS  12   9.833   0.139  -6.128
  104   2HB   LYS  12           HB1      LYS  12  10.774   1.462  -6.816
  105   1HG   LYS  12           HG2      LYS  12  12.668   0.286  -6.531
  106   2HG   LYS  12           HG1      LYS  12  12.355   0.178  -4.798
  107   1HD   LYS  12           HD2      LYS  12  12.315  -2.070  -5.319
  108   2HD   LYS  12           HD1      LYS  12  10.618  -1.682  -5.603
  109   1HE   LYS  12           HE2      LYS  12  10.816  -2.204  -7.783
  110   2HE   LYS  12           HE1      LYS  12  12.156  -1.072  -7.964
  111   1HZ   LYS  12           HZ2      LYS  12  12.453  -3.792  -6.819
  112   2HZ   LYS  12           HZ1      LYS  12  12.709  -3.434  -8.460
  113   3HZ   LYS  12           HZ3      LYS  12  13.691  -2.721  -7.276
  114    H    TYR  13           HN       TYR  13   7.878   2.006  -4.413
  115    HA   TYR  13           HA       TYR  13   7.511   4.196  -6.221
  116   1HB   TYR  13           HB2      TYR  13   5.862   3.162  -3.887
  117   2HB   TYR  13           HB1      TYR  13   5.360   4.566  -4.811
  118    HD1  TYR  13           HD1      TYR  13   7.064   1.482  -5.955
  119    HD2  TYR  13           HD2      TYR  13   3.443   3.819  -6.131
  120    HE1  TYR  13           HE1      TYR  13   6.186  -0.020  -7.698
  121    HE2  TYR  13           HE2      TYR  13   2.602   2.323  -7.886
  122    HH   TYR  13           HH       TYR  13   2.892   0.160  -8.763
  123    H    LYS  14           HN       LYS  14   9.002   5.790  -5.891
  124    HA   LYS  14           HA       LYS  14  10.489   7.038  -4.346
  125   1HB   LYS  14           HB2      LYS  14   8.368   8.230  -5.797
  126   2HB   LYS  14           HB1      LYS  14   8.485   9.078  -4.254
  127   1HG   LYS  14           HG2      LYS  14   9.999  10.190  -5.733
  128   2HG   LYS  14           HG1      LYS  14  10.991   9.215  -4.650
  129   1HD   LYS  14           HD2      LYS  14  11.285   7.510  -6.319
  130   2HD   LYS  14           HD1      LYS  14  10.075   8.250  -7.369
  131   1HE   LYS  14           HE2      LYS  14  11.837  10.330  -6.947
  132   2HE   LYS  14           HE1      LYS  14  12.911   8.934  -7.016
  133   1HZ   LYS  14           HZ3      LYS  14  10.849   9.624  -9.039
  134   2HZ   LYS  14           HZ2      LYS  14  12.522   9.870  -9.211
  135   3HZ   LYS  14           HZ1      LYS  14  11.897   8.292  -9.107
  136    H    HIS  15           HN       HIS  15  10.871   6.648  -2.249
  137    HA   HIS  15           HA       HIS  15   9.054   6.146  -0.192
  138   1HB   HIS  15           HB2      HIS  15  10.844   6.834   1.365
  139   2HB   HIS  15           HB1      HIS  15  11.486   5.850   0.052
  140    HD1  HIS  15           HD1      HIS  15  13.130   8.044   1.688
  141    HD2  HIS  15           HD2      HIS  15  11.472   8.550  -2.103
  142    HE1  HIS  15           HE1      HIS  15  14.435   9.906   0.578
  143    H    SER  16           HN       SER  16   9.754   9.182  -1.718
  144    HA   SER  16           HA       SER  16   9.186  11.101   0.194
  145   1HB   SER  16           HB2      SER  16   9.061  10.952  -2.649
  146   2HB   SER  16           HB1      SER  16   7.580  11.727  -2.095
  147    HG   SER  16           HG       SER  16  10.234  12.544  -1.893
  148    H    VAL  17           HN       VAL  17   6.536  10.109  -1.943
  149    HA   VAL  17           HA       VAL  17   4.807   9.687   0.445
  150    HB   VAL  17           HB       VAL  17   4.247  11.508  -1.912
  151   1HG1  VAL  17           HG13     VAL  17   2.423   9.997  -0.116
  152   2HG1  VAL  17           HG12     VAL  17   2.022  11.693  -0.389
  153   3HG1  VAL  17           HG11     VAL  17   2.155  10.587  -1.756
  154   1HG2  VAL  17           HG22     VAL  17   4.554  11.833   1.068
  155   2HG2  VAL  17           HG21     VAL  17   5.304  12.763  -0.229
  156   3HG2  VAL  17           HG23     VAL  17   3.595  12.988   0.143
  157    H    VAL  18           HN       VAL  18   5.124   9.471  -3.082
  158    HA   VAL  18           HA       VAL  18   3.061   7.729  -3.746
  159    HB   VAL  18           HB       VAL  18   4.657   8.640  -5.386
  160   1HG1  VAL  18           HG13     VAL  18   6.512   6.928  -3.777
  161   2HG1  VAL  18           HG12     VAL  18   6.864   7.193  -5.483
  162   3HG1  VAL  18           HG11     VAL  18   6.751   8.565  -4.379
  163   1HG2  VAL  18           HG22     VAL  18   3.734   5.921  -5.257
  164   2HG2  VAL  18           HG21     VAL  18   3.972   6.930  -6.685
  165   3HG2  VAL  18           HG23     VAL  18   5.302   5.956  -6.062
  166    H    LYS  19           HN       LYS  19   5.867   7.060  -1.791
  167    HA   LYS  19           HA       LYS  19   5.877   4.203  -2.112
  168   1HB   LYS  19           HB2      LYS  19   7.845   4.957  -1.147
  169   2HB   LYS  19           HB1      LYS  19   7.024   6.160  -0.163
  170   1HG   LYS  19           HG2      LYS  19   6.743   4.704   1.567
  171   2HG   LYS  19           HG1      LYS  19   6.294   3.379   0.494
  172   1HD   LYS  19           HD2      LYS  19   8.372   2.522   0.563
  173   2HD   LYS  19           HD1      LYS  19   9.088   4.081   0.150
  174   1HE   LYS  19           HE2      LYS  19   9.444   4.653   2.348
  175   2HE   LYS  19           HE1      LYS  19   8.015   3.787   2.910
  176   1HZ   LYS  19           HZ1      LYS  19   9.225   1.696   2.434
  177   2HZ   LYS  19           HZ3      LYS  19  10.614   2.608   2.100
  178   3HZ   LYS  19           HZ2      LYS  19   9.940   2.631   3.659
  179    H    LYS  20           HN       LYS  20   5.027   5.826   0.957
  180    HA   LYS  20           HA       LYS  20   3.469   3.770   2.007
  181   1HB   LYS  20           HB2      LYS  20   4.110   6.217   2.909
  182   2HB   LYS  20           HB1      LYS  20   2.444   6.541   2.430
  183   1HG   LYS  20           HG2      LYS  20   2.484   4.029   3.782
  184   2HG   LYS  20           HG1      LYS  20   3.374   5.188   4.771
  185   1HD   LYS  20           HD2      LYS  20   0.883   6.249   3.598
  186   2HD   LYS  20           HD1      LYS  20   0.645   4.946   4.763
  187   1HE   LYS  20           HE2      LYS  20   2.179   6.199   6.337
  188   2HE   LYS  20           HE1      LYS  20   2.128   7.550   5.205
  189   1HZ   LYS  20           HZ2      LYS  20  -0.366   6.328   6.194
  190   2HZ   LYS  20           HZ1      LYS  20   0.450   7.490   7.128
  191   3HZ   LYS  20           HZ3      LYS  20  -0.113   7.892   5.579
  192    H    CYS  21           HN       CYS  21   2.683   5.894  -0.606
  193    HA   CYS  21           HA       CYS  21  -0.208   5.621  -0.572
  194   1HB   CYS  21           HB2      CYS  21   1.687   6.046  -2.879
  195   2HB   CYS  21           HB1      CYS  21  -0.055   6.258  -2.864
  196    H    CYS  22           HN       CYS  22   2.173   4.214  -2.830
  197    HA   CYS  22           HA       CYS  22   0.481   2.336  -3.978
  198   1HB   CYS  22           HB2      CYS  22   2.393   2.494  -5.107
  199   2HB   CYS  22           HB1      CYS  22   3.406   2.614  -3.679
  200    H    TYR  23           HN       TYR  23   2.407   2.146  -1.009
  201    HA   TYR  23           HA       TYR  23   1.846  -0.583  -0.366
  202   1HB   TYR  23           HB2      TYR  23   2.539   1.858   1.253
  203   2HB   TYR  23           HB1      TYR  23   2.019   0.390   2.079
  204    HD1  TYR  23           HD2      TYR  23   4.552   1.842  -0.166
  205    HD2  TYR  23           HD1      TYR  23   3.435  -1.568   2.173
  206    HE1  TYR  23           HE2      TYR  23   6.840   0.930  -0.420
  207    HE2  TYR  23           HE1      TYR  23   5.722  -2.497   1.914
  208    HH   TYR  23           HH       TYR  23   7.765  -2.153   1.122
  209    H    ASP  24           HN       ASP  24   0.212   2.474   0.194
  210    HA   ASP  24           HA       ASP  24  -1.983   1.557   1.748
  211   1HB   ASP  24           HB2      ASP  24  -1.554   3.940  -0.096
  212   2HB   ASP  24           HB1      ASP  24  -3.145   3.614   0.613
  213    H    GLY  25           HN       GLY  25  -1.330   1.458  -1.684
  214   1HA   GLY  25           HA2      GLY  25  -4.022   0.852  -2.535
  215   2HA   GLY  25           HA1      GLY  25  -2.551   0.598  -3.476
  216    H    ALA  26           HN       ALA  26  -1.098  -1.218  -2.295
  217    HA   ALA  26           HA       ALA  26  -2.742  -3.636  -2.463
  218   1HB   ALA  26           HB1      ALA  26  -0.169  -3.112  -3.134
  219   2HB   ALA  26           HB3      ALA  26   0.071  -3.848  -1.548
  220   3HB   ALA  26           HB2      ALA  26  -0.772  -4.738  -2.816
  221    H    SER  27           HN       SER  27  -2.196  -1.534   0.058
  222    HA   SER  27           HA       SER  27  -2.039  -3.669   2.096
  223   1HB   SER  27           HB2      SER  27  -1.759  -0.706   2.240
  224   2HB   SER  27           HB1      SER  27  -1.829  -1.712   3.665
  225    HG   SER  27           HG       SER  27  -0.003  -2.818   2.887
  226    H    VAL  28           HN       VAL  28  -3.954  -0.718   1.507
  227    HA   VAL  28           HA       VAL  28  -5.937  -1.112   3.423
  228    HB   VAL  28           HB       VAL  28  -7.415   0.176   1.896
  229   1HG1  VAL  28           HG12     VAL  28  -4.529   1.092   2.003
  230   2HG1  VAL  28           HG11     VAL  28  -5.911   2.139   1.685
  231   3HG1  VAL  28           HG13     VAL  28  -5.745   1.351   3.254
  232   1HG2  VAL  28           HG23     VAL  28  -5.290  -0.654  -0.046
  233   2HG2  VAL  28           HG22     VAL  28  -7.037  -0.582  -0.271
  234   3HG2  VAL  28           HG21     VAL  28  -6.085   0.903  -0.274
  235    H    ASN  29           HN       ASN  29  -8.113  -2.027   3.247
  236    HA   ASN  29           HA       ASN  29  -8.313  -4.692   2.598
  237   1HB   ASN  29           HB2      ASN  29 -10.128  -2.716   3.357
  238   2HB   ASN  29           HB1      ASN  29 -10.775  -3.321   1.834
  239   1HD2  ASN  29           HD22     ASN  29 -12.144  -6.088   3.513
  240   2HD2  ASN  29           HD21     ASN  29 -12.353  -4.841   2.379
  241    H    ASN  30           HN       ASN  30  -9.601  -5.727   0.774
  242    HA   ASN  30           HA       ASN  30  -8.380  -5.571  -1.684
  243   1HB   ASN  30           HB2      ASN  30 -10.459  -7.010  -0.758
  244   2HB   ASN  30           HB1      ASN  30 -11.340  -5.887  -1.796
  245   1HD2  ASN  30           HD22     ASN  30 -10.517  -7.800  -4.626
  246   2HD2  ASN  30           HD21     ASN  30 -11.679  -6.893  -3.783
  247    H    ASP  31           HN       ASP  31 -10.750  -3.334  -0.391
  248    HA   ASP  31           HA       ASP  31 -10.158  -1.501  -2.623
  249   1HB   ASP  31           HB2      ASP  31 -12.652  -1.087  -2.949
  250   2HB   ASP  31           HB1      ASP  31 -12.049  -2.621  -3.575
  251    H    GLU  32           HN       GLU  32 -10.121  -1.818   0.524
  252    HA   GLU  32           HA       GLU  32 -11.796   0.045   1.746
  253   1HB   GLU  32           HB2      GLU  32 -10.358  -0.944   3.268
  254   2HB   GLU  32           HB1      GLU  32  -8.959  -0.780   2.212
  255   1HG   GLU  32           HG2      GLU  32  -8.617   1.464   2.812
  256   2HG   GLU  32           HG1      GLU  32 -10.280   1.667   3.365
  257    H    THR  33           HN       THR  33  -8.576   0.781   0.373
  258    HA   THR  33           HA       THR  33  -9.570   3.547  -0.203
  259    HB   THR  33           HB       THR  33  -6.673   2.751   0.115
  260    HG1  THR  33           HG1      THR  33  -8.451   3.793   2.065
  261   1HG2  THR  33           HG22     THR  33  -7.551   4.924  -1.030
  262   2HG2  THR  33           HG21     THR  33  -7.895   5.443   0.620
  263   3HG2  THR  33           HG23     THR  33  -6.244   5.042   0.148
  264    H    CYS  34           HN       CYS  34  -7.731   0.774  -1.354
  265    HA   CYS  34           HA       CYS  34  -6.577   1.419  -3.737
  266   1HB   CYS  34           HB2      CYS  34  -7.108  -0.904  -2.814
  267   2HB   CYS  34           HB1      CYS  34  -8.683  -0.753  -3.590
  268    H    GLU  35           HN       GLU  35 -10.066   1.237  -3.188
  269    HA   GLU  35           HA       GLU  35 -10.622   2.183  -5.935
  270   1HB   GLU  35           HB2      GLU  35 -11.990   0.371  -4.868
  271   2HB   GLU  35           HB1      GLU  35 -12.573   1.561  -3.703
  272   1HG   GLU  35           HG2      GLU  35 -14.204   2.020  -5.200
  273   2HG   GLU  35           HG1      GLU  35 -12.952   2.820  -6.151
  274    H    GLN  36           HN       GLN  36 -11.650   3.200  -2.651
  275    HA   GLN  36           HA       GLN  36 -12.838   5.617  -3.164
  276   1HB   GLN  36           HB2      GLN  36 -11.584   4.430  -0.926
  277   2HB   GLN  36           HB1      GLN  36 -10.897   6.048  -1.063
  278   1HG   GLN  36           HG2      GLN  36 -13.004   5.936   0.320
  279   2HG   GLN  36           HG1      GLN  36 -13.090   7.054  -1.041
  280   1HE2  GLN  36           HE22     GLN  36 -16.196   5.293  -1.552
  281   2HE2  GLN  36           HE21     GLN  36 -15.535   6.646  -0.769
  282    H    ARG  37           HN       ARG  37  -9.456   4.871  -3.530
  283    HA   ARG  37           HA       ARG  37  -8.848   7.681  -4.243
  284   1HB   ARG  37           HB2      ARG  37  -7.291   5.384  -3.205
  285   2HB   ARG  37           HB1      ARG  37  -6.454   6.401  -4.376
  286   1HG   ARG  37           HG2      ARG  37  -7.165   8.403  -2.993
  287   2HG   ARG  37           HG1      ARG  37  -7.730   7.266  -1.768
  288   1HD   ARG  37           HD2      ARG  37  -5.438   6.276  -1.687
  289   2HD   ARG  37           HD1      ARG  37  -4.896   7.518  -2.816
  290    HE   ARG  37           HE       ARG  37  -6.040   8.973  -0.764
  291   1HH1  ARG  37           HH21     ARG  37  -3.683   6.458  -1.005
  292   2HH1  ARG  37           HH22     ARG  37  -2.778   6.998   0.368
  293   1HH2  ARG  37           HH12     ARG  37  -4.865   9.686   1.028
  294   2HH2  ARG  37           HH11     ARG  37  -3.445   8.823   1.517
  295    H    ALA  38           HN       ALA  38  -8.599   4.339  -5.541
  296    HA   ALA  38           HA       ALA  38  -7.429   5.068  -8.035
  297   1HB   ALA  38           HB1      ALA  38  -9.263   2.781  -7.288
  298   2HB   ALA  38           HB3      ALA  38  -8.512   2.933  -8.876
  299   3HB   ALA  38           HB2      ALA  38  -7.506   2.746  -7.440
  300    H    ALA  39           HN       ALA  39 -10.900   4.399  -7.384
  301    HA   ALA  39           HA       ALA  39 -11.606   5.686  -9.932
  302   1HB   ALA  39           HB2      ALA  39 -12.736   3.611  -8.844
  303   2HB   ALA  39           HB1      ALA  39 -13.585   4.792  -7.847
  304   3HB   ALA  39           HB3      ALA  39 -13.766   4.826  -9.601
  305    H    ARG  40           HN       ARG  40 -12.247   6.296  -6.460
  306    HA   ARG  40           HA       ARG  40 -13.485   8.879  -7.117
  307   1HB   ARG  40           HB2      ARG  40 -13.012   7.314  -4.600
  308   2HB   ARG  40           HB1      ARG  40 -13.397   9.032  -4.494
  309   1HG   ARG  40           HG2      ARG  40 -15.217   8.033  -6.364
  310   2HG   ARG  40           HG1      ARG  40 -15.147   6.790  -5.115
  311   1HD   ARG  40           HD2      ARG  40 -15.786   8.311  -3.409
  312   2HD   ARG  40           HD1      ARG  40 -15.444   9.715  -4.422
  313    HE   ARG  40           HE       ARG  40 -17.435   8.371  -5.803
  314   1HH1  ARG  40           HH21     ARG  40 -16.988   9.564  -2.592
  315   2HH1  ARG  40           HH22     ARG  40 -18.672   9.871  -2.335
  316   1HH2  ARG  40           HH12     ARG  40 -19.630   8.769  -5.479
  317   2HH2  ARG  40           HH11     ARG  40 -20.167   9.422  -3.968
  318    H    ILE  41           HN       ILE  41 -12.178  10.565  -7.615
  319    HA   ILE  41           HA       ILE  41  -9.882  11.131  -5.825
  320    HB   ILE  41           HB       ILE  41  -9.708  10.777  -8.823
  321   1HG1  ILE  41           HG12     ILE  41  -7.650   9.895  -6.853
  322   2HG1  ILE  41           HG11     ILE  41  -9.187   9.030  -6.868
  323   1HG2  ILE  41           HG22     ILE  41  -8.038  12.444  -6.963
  324   2HG2  ILE  41           HG21     ILE  41  -7.309  11.696  -8.383
  325   3HG2  ILE  41           HG23     ILE  41  -8.630  12.849  -8.572
  326   1HD1  ILE  41           HD13     ILE  41  -7.513   9.530  -9.342
  327   2HD1  ILE  41           HD12     ILE  41  -7.461   8.036  -8.406
  328   3HD1  ILE  41           HD11     ILE  41  -8.949   8.514  -9.223
  329    H    SER  42           HN       SER  42 -10.812  13.012  -5.028
  330    HA   SER  42           HA       SER  42 -12.282  14.882  -6.652
  331   1HB   SER  42           HB2      SER  42 -11.643  14.575  -3.901
  332   2HB   SER  42           HB1      SER  42 -11.081  16.175  -4.379
  333    HG   SER  42           HG       SER  42 -13.355  15.970  -3.708
  334    H    LEU  43           HN       LEU  43  -8.992  15.088  -5.241
  335    HA   LEU  43           HA       LEU  43  -8.332  17.037  -7.414
  336   1HB   LEU  43           HB2      LEU  43  -6.728  18.045  -5.926
  337   2HB   LEU  43           HB1      LEU  43  -8.237  17.887  -5.025
  338    HG   LEU  43           HG       LEU  43  -7.101  15.490  -4.463
  339   1HD1  LEU  43           HD13     LEU  43  -5.056  16.208  -5.771
  340   2HD1  LEU  43           HD12     LEU  43  -4.793  17.449  -4.546
  341   3HD1  LEU  43           HD11     LEU  43  -4.732  15.743  -4.101
  342   1HD2  LEU  43           HD22     LEU  43  -8.006  17.142  -2.849
  343   2HD2  LEU  43           HD21     LEU  43  -6.457  16.494  -2.307
  344   3HD2  LEU  43           HD23     LEU  43  -6.537  18.104  -3.024
  345    H    GLY  44           HN       GLY  44  -7.609  13.991  -5.983
  346   1HA   GLY  44           HA2      GLY  44  -6.144  12.297  -6.689
  347   2HA   GLY  44           HA1      GLY  44  -5.799  13.273  -8.116
  348    HA   PRO  45           HA       PRO  45  -2.943  14.897  -4.357
  349   1HB   PRO  45           HB2      PRO  45  -2.601  12.449  -2.875
  350   2HB   PRO  45           HB1      PRO  45  -3.190  14.010  -2.295
  351   1HG   PRO  45           HG2      PRO  45  -4.691  11.617  -2.764
  352   2HG   PRO  45           HG1      PRO  45  -5.271  13.172  -2.161
  353   1HD   PRO  45           HD2      PRO  45  -5.843  12.004  -4.669
  354   2HD   PRO  45           HD1      PRO  45  -6.245  13.643  -4.140
  355    H    ARG  46           HN       ARG  46  -2.489  11.365  -4.490
  356    HA   ARG  46           HA       ARG  46  -0.739  11.302  -6.728
  357   1HB   ARG  46           HB2      ARG  46   0.611  12.755  -5.105
  358   2HB   ARG  46           HB1      ARG  46   0.793  11.303  -4.120
  359   1HG   ARG  46           HG2      ARG  46   2.718  11.331  -5.511
  360   2HG   ARG  46           HG1      ARG  46   1.636  10.158  -6.261
  361   1HD   ARG  46           HD2      ARG  46   1.517  11.382  -8.147
  362   2HD   ARG  46           HD1      ARG  46   1.063  12.823  -7.236
  363    HE   ARG  46           HE       ARG  46   3.788  12.608  -6.805
  364   1HH1  ARG  46           HH21     ARG  46   1.695  12.662  -9.553
  365   2HH1  ARG  46           HH22     ARG  46   2.864  13.409 -10.589
  366   1HH2  ARG  46           HH12     ARG  46   5.319  13.581  -8.148
  367   2HH2  ARG  46           HH11     ARG  46   4.913  13.928  -9.795
  368    H    CYS  47           HN       CYS  47  -1.485   9.978  -3.514
  369    HA   CYS  47           HA       CYS  47  -0.405   7.391  -4.000
  370   1HB   CYS  47           HB2      CYS  47  -2.851   7.904  -2.286
  371   2HB   CYS  47           HB1      CYS  47  -1.722   6.582  -2.132
  372    H    ILE  48           HN       ILE  48  -3.425   8.882  -4.973
  373    HA   ILE  48           HA       ILE  48  -4.678   6.421  -5.658
  374    HB   ILE  48           HB       ILE  48  -6.340   7.697  -6.691
  375   1HG1  ILE  48           HG12     ILE  48  -4.706   8.743  -8.373
  376   2HG1  ILE  48           HG11     ILE  48  -6.066   9.740  -7.878
  377   1HG2  ILE  48           HG22     ILE  48  -5.814   8.384  -4.297
  378   2HG2  ILE  48           HG21     ILE  48  -5.057   9.820  -4.975
  379   3HG2  ILE  48           HG23     ILE  48  -6.774   9.523  -5.237
  380   1HD1  ILE  48           HD12     ILE  48  -3.374   9.893  -6.512
  381   2HD1  ILE  48           HD11     ILE  48  -3.807  10.908  -7.886
  382   3HD1  ILE  48           HD13     ILE  48  -4.721  11.022  -6.382
  383    H    LYS  49           HN       LYS  49  -2.752   8.666  -7.731
  384    HA   LYS  49           HA       LYS  49  -2.910   6.952 -10.027
  385   1HB   LYS  49           HB2      LYS  49  -1.353   9.321  -9.208
  386   2HB   LYS  49           HB1      LYS  49  -0.525   8.261 -10.350
  387   1HG   LYS  49           HG2      LYS  49  -2.439   8.357 -11.874
  388   2HG   LYS  49           HG1      LYS  49  -3.332   9.347 -10.720
  389   1HD   LYS  49           HD2      LYS  49  -2.172  11.237 -11.246
  390   2HD   LYS  49           HD1      LYS  49  -0.649  10.368 -11.433
  391   1HE   LYS  49           HE2      LYS  49  -2.922  10.260 -13.435
  392   2HE   LYS  49           HE1      LYS  49  -1.520  11.319 -13.587
  393   1HZ   LYS  49           HZ2      LYS  49  -0.844   8.576 -13.050
  394   2HZ   LYS  49           HZ1      LYS  49  -1.673   8.785 -14.518
  395   3HZ   LYS  49           HZ3      LYS  49  -0.233   9.634 -14.230
  396    H    ALA  50           HN       ALA  50  -0.082   7.518  -7.896
  397    HA   ALA  50           HA       ALA  50   1.524   5.383  -8.774
  398   1HB   ALA  50           HB2      ALA  50   2.149   7.083  -6.997
  399   2HB   ALA  50           HB1      ALA  50   1.171   6.146  -5.865
  400   3HB   ALA  50           HB3      ALA  50   2.590   5.418  -6.616
  401    H    PHE  51           HN       PHE  51  -0.550   5.375  -5.951
  402    HA   PHE  51           HA       PHE  51  -0.309   2.587  -5.636
  403   1HB   PHE  51           HB2      PHE  51  -1.126   3.044  -3.654
  404   2HB   PHE  51           HB1      PHE  51  -1.179   4.715  -4.093
  405    HD1  PHE  51           HD1      PHE  51  -3.545   4.502  -6.053
  406    HD2  PHE  51           HD2      PHE  51  -2.905   2.955  -2.130
  407    HE1  PHE  51           HE1      PHE  51  -5.984   4.410  -5.693
  408    HE2  PHE  51           HE2      PHE  51  -5.341   2.880  -1.761
  409    HZ   PHE  51           HZ       PHE  51  -6.889   3.603  -3.547
  410    H    THR  52           HN       THR  52  -2.243   4.283  -7.882
  411    HA   THR  52           HA       THR  52  -4.478   2.382  -7.854
  412    HB   THR  52           HB       THR  52  -3.693   4.686  -9.623
  413    HG1  THR  52           HG1      THR  52  -6.049   3.829  -8.299
  414   1HG2  THR  52           HG23     THR  52  -5.562   2.431 -10.383
  415   2HG2  THR  52           HG22     THR  52  -5.667   4.038 -11.103
  416   3HG2  THR  52           HG21     THR  52  -4.207   3.071 -11.313
  417    H    GLU  53           HN       GLU  53  -1.541   2.960  -9.772
  418    HA   GLU  53           HA       GLU  53  -2.066   0.570 -11.407
  419   1HB   GLU  53           HB2      GLU  53   0.620   1.927 -11.121
  420   2HB   GLU  53           HB1      GLU  53  -0.026   1.050 -12.508
  421   1HG   GLU  53           HG2      GLU  53  -1.453   3.506 -11.540
  422   2HG   GLU  53           HG1      GLU  53  -0.004   3.683 -12.527
  423    H    CYS  54           HN       CYS  54  -0.357   1.413  -8.488
  424    HA   CYS  54           HA       CYS  54   1.125  -1.082  -8.269
  425   1HB   CYS  54           HB2      CYS  54   2.094   0.689  -7.104
  426   2HB   CYS  54           HB1      CYS  54   0.550   1.276  -6.478
  427    H    CYS  55           HN       CYS  55  -1.971   0.124  -7.097
  428    HA   CYS  55           HA       CYS  55  -2.451  -2.210  -5.417
  429   1HB   CYS  55           HB2      CYS  55  -3.489   0.039  -4.947
  430   2HB   CYS  55           HB1      CYS  55  -4.484  -0.156  -6.383
  431    H    VAL  56           HN       VAL  56  -3.662  -1.015  -8.547
  432    HA   VAL  56           HA       VAL  56  -5.354  -3.205  -9.142
  433    HB   VAL  56           HB       VAL  56  -5.083  -2.565 -11.502
  434   1HG1  VAL  56           HG11     VAL  56  -5.571  -0.619  -9.336
  435   2HG1  VAL  56           HG13     VAL  56  -5.216   0.106 -10.904
  436   3HG1  VAL  56           HG12     VAL  56  -6.565  -1.017 -10.737
  437   1HG2  VAL  56           HG23     VAL  56  -2.744  -0.989 -10.402
  438   2HG2  VAL  56           HG22     VAL  56  -2.721  -2.212 -11.674
  439   3HG2  VAL  56           HG21     VAL  56  -3.469  -0.643 -11.972
  440    H    VAL  57           HN       VAL  57  -1.875  -2.712  -9.935
  441    HA   VAL  57           HA       VAL  57  -1.506  -5.257 -11.156
  442    HB   VAL  57           HB       VAL  57   0.274  -3.664 -11.353
  443   1HG1  VAL  57           HG13     VAL  57  -0.405  -2.876  -8.832
  444   2HG1  VAL  57           HG12     VAL  57   1.108  -3.724  -8.523
  445   3HG1  VAL  57           HG11     VAL  57   1.067  -2.374  -9.657
  446   1HG2  VAL  57           HG22     VAL  57   0.877  -6.121 -11.057
  447   2HG2  VAL  57           HG21     VAL  57   2.176  -4.982 -10.711
  448   3HG2  VAL  57           HG23     VAL  57   1.287  -5.733  -9.386
  449    H    ALA  58           HN       ALA  58  -0.792  -4.330  -7.744
  450    HA   ALA  58           HA       ALA  58  -0.065  -6.737  -6.650
  451   1HB   ALA  58           HB3      ALA  58  -0.859  -4.368  -5.587
  452   2HB   ALA  58           HB2      ALA  58  -2.221  -5.391  -5.127
  453   3HB   ALA  58           HB1      ALA  58  -0.586  -5.820  -4.624
  454    H    SER  59           HN       SER  59  -3.426  -5.746  -7.251
  455    HA   SER  59           HA       SER  59  -4.668  -8.155  -6.361
  456   1HB   SER  59           HB2      SER  59  -5.883  -6.880  -8.722
  457   2HB   SER  59           HB1      SER  59  -6.579  -7.197  -7.137
  458    HG   SER  59           HG       SER  59  -6.002  -5.265  -6.502
  459    H    GLN  60           HN       GLN  60  -4.075  -7.112  -9.698
  460    HA   GLN  60           HA       GLN  60  -4.719  -9.323 -11.129
  461   1HB   GLN  60           HB2      GLN  60  -2.718  -7.207 -11.448
  462   2HB   GLN  60           HB1      GLN  60  -2.300  -8.690 -12.305
  463   1HG   GLN  60           HG2      GLN  60  -4.607  -8.701 -13.291
  464   2HG   GLN  60           HG1      GLN  60  -4.884  -7.126 -12.547
  465   1HE2  GLN  60           HE22     GLN  60  -3.714  -6.154 -15.847
  466   2HE2  GLN  60           HE21     GLN  60  -5.131  -6.647 -15.053
  467    H    LEU  61           HN       LEU  61  -1.401  -8.939  -9.779
  468    HA   LEU  61           HA       LEU  61  -0.853 -11.743 -10.333
  469   1HB   LEU  61           HB2      LEU  61   1.025 -11.002  -8.396
  470   2HB   LEU  61           HB1      LEU  61   1.273 -11.123 -10.125
  471    HG   LEU  61           HG       LEU  61   2.034  -8.990  -9.300
  472   1HD1  LEU  61           HD12     LEU  61  -0.030  -9.291 -11.304
  473   2HD1  LEU  61           HD11     LEU  61  -0.063  -7.674 -10.602
  474   3HD1  LEU  61           HD13     LEU  61   1.418  -8.285 -11.337
  475   1HD2  LEU  61           HD21     LEU  61  -0.767  -8.679  -8.247
  476   2HD2  LEU  61           HD23     LEU  61   0.731  -8.683  -7.328
  477   3HD2  LEU  61           HD22     LEU  61   0.359  -7.338  -8.404
  478    H    ARG  62           HN       ARG  62  -0.749 -10.131  -7.135
  479    HA   ARG  62           HA       ARG  62  -0.695 -12.180  -5.427
  480   1HB   ARG  62           HB2      ARG  62  -2.619  -9.864  -5.367
  481   2HB   ARG  62           HB1      ARG  62  -2.609 -11.057  -4.071
  482   1HG   ARG  62           HG2      ARG  62   0.052 -10.579  -4.296
  483   2HG   ARG  62           HG1      ARG  62  -0.582  -9.002  -4.752
  484   1HD   ARG  62           HD2      ARG  62  -0.719 -10.421  -2.144
  485   2HD   ARG  62           HD1      ARG  62  -0.540  -8.701  -2.467
  486    HE   ARG  62           HE       ARG  62  -2.977 -10.021  -1.831
  487   1HH1  ARG  62           HH21     ARG  62  -1.730  -7.783  -4.151
  488   2HH1  ARG  62           HH22     ARG  62  -3.293  -7.229  -4.636
  489   1HH2  ARG  62           HH12     ARG  62  -5.005  -9.282  -2.439
  490   2HH2  ARG  62           HH11     ARG  62  -5.142  -8.064  -3.663
  491    H    ALA  63           HN       ALA  63  -3.634 -11.540  -7.343
  492    HA   ALA  63           HA       ALA  63  -5.260 -13.570  -6.192
  493   1HB   ALA  63           HB2      ALA  63  -5.148 -12.611  -9.073
  494   2HB   ALA  63           HB1      ALA  63  -6.454 -13.571  -8.377
  495   3HB   ALA  63           HB3      ALA  63  -6.159 -11.932  -7.796
  496    H    ASN  64           HN       ASN  64  -3.357 -13.758  -9.211
  497    HA   ASN  64           HA       ASN  64  -2.659 -16.569  -8.515
  498   1HB   ASN  64           HB2      ASN  64  -4.634 -16.230 -10.259
  499   2HB   ASN  64           HB1      ASN  64  -3.302 -15.895 -11.367
  500   1HD2  ASN  64           HD22     ASN  64  -3.451 -19.465 -11.783
  501   2HD2  ASN  64           HD21     ASN  64  -4.028 -18.006 -12.428
  502    H    ILE  65           HN       ILE  65  -0.887 -14.682  -8.017
  503    HA   ILE  65           HA       ILE  65   0.686 -13.466  -9.926
  504    HB   ILE  65           HB       ILE  65   2.335 -14.973  -7.986
  505   1HG1  ILE  65           HG12     ILE  65   0.077 -13.155  -7.113
  506   2HG1  ILE  65           HG11     ILE  65   0.365 -14.817  -6.596
  507   1HG2  ILE  65           HG21     ILE  65   2.299 -12.478  -9.371
  508   2HG2  ILE  65           HG23     ILE  65   2.301 -12.129  -7.643
  509   3HG2  ILE  65           HG22     ILE  65   3.575 -13.128  -8.342
  510   1HD1  ILE  65           HD12     ILE  65   2.574 -14.045  -5.641
  511   2HD1  ILE  65           HD11     ILE  65   2.068 -12.389  -5.978
  512   3HD1  ILE  65           HD13     ILE  65   1.157 -13.373  -4.833
  513    H    SER  66           HN       SER  66   1.116 -14.349 -11.875
  514    HA   SER  66           HA       SER  66   3.100 -16.382 -12.174
  515   1HB   SER  66           HB2      SER  66   0.642 -17.493 -11.576
  516   2HB   SER  66           HB1      SER  66   0.651 -17.521 -13.338
  517    HG   SER  66           HG       SER  66   2.893 -18.357 -11.841
  518    H    HIS  67           HN       HIS  67   0.361 -14.637 -13.549
  519    HA   HIS  67           HA       HIS  67   1.412 -14.888 -16.286
  520   1HB   HIS  67           HB2      HIS  67  -1.100 -14.679 -15.461
  521   2HB   HIS  67           HB1      HIS  67  -0.749 -12.952 -15.536
  522    HD1  HIS  67           HD1      HIS  67  -2.165 -12.498 -17.637
  523    HD2  HIS  67           HD2      HIS  67   0.747 -15.423 -18.219
  524    HE1  HIS  67           HE1      HIS  67  -2.068 -12.925 -20.131
  525    H    LYS  68           HN       LYS  68   1.160 -12.449 -17.406
  526    HA   LYS  68           HA       LYS  68   3.513 -11.064 -16.681
  527   1HB   LYS  68           HB2      LYS  68   2.067 -10.873 -18.830
  528   2HB   LYS  68           HB1      LYS  68   1.152  -9.664 -17.930
  529   1HG   LYS  68           HG2      LYS  68   3.258  -8.415 -17.505
  530   2HG   LYS  68           HG1      LYS  68   4.134  -9.599 -18.475
  531   1HD   LYS  68           HD2      LYS  68   2.875  -9.010 -20.453
  532   2HD   LYS  68           HD1      LYS  68   1.802  -7.970 -19.517
  533   1HE   LYS  68           HE2      LYS  68   3.467  -6.346 -19.173
  534   2HE   LYS  68           HE1      LYS  68   4.773  -7.476 -19.531
  535   1HZ   LYS  68           HZ3      LYS  68   2.842  -7.009 -21.657
  536   2HZ   LYS  68           HZ2      LYS  68   3.873  -5.712 -21.283
  537   3HZ   LYS  68           HZ1      LYS  68   4.523  -7.212 -21.743
  538    H    ASP  69           HN       ASP  69   3.777  -8.996 -15.594
  539    HA   ASP  69           HA       ASP  69   1.668  -8.523 -13.526
  540   1HB   ASP  69           HB2      ASP  69   4.602  -7.772 -13.379
  541   2HB   ASP  69           HB1      ASP  69   3.422  -7.708 -12.071
  542    H    MET  70           HN       MET  70   2.434  -6.028 -12.646
  543    HA   MET  70           HA       MET  70   2.601  -4.265 -15.021
  544   1HB   MET  70           HB2      MET  70   0.116  -4.919 -14.002
  545   2HB   MET  70           HB1      MET  70   0.493  -3.421 -13.155
  546   1HG   MET  70           HG2      MET  70  -0.167  -2.331 -15.014
  547   2HG   MET  70           HG1      MET  70   1.305  -2.931 -15.777
  548   1HE   MET  70           HE2      MET  70  -1.481  -2.085 -17.023
  549   2HE   MET  70           HE1      MET  70  -0.172  -2.582 -18.091
  550   3HE   MET  70           HE3      MET  70  -1.783  -3.290 -18.272
  551    H    CYS  71           HN       CYS  71   1.668  -1.993 -13.343
  552    HA   CYS  71           HA       CYS  71   4.039  -0.936 -12.416
  553   1HB   CYS  71           HB2      CYS  71   1.182  -0.542 -11.658
  554   2HB   CYS  71           HB1      CYS  71   2.396   0.166 -10.590
  555   1H    CYS  72           HN2      CYS  72   3.297   4.634 -11.900
  556   2H    CYS  72           HN1      CYS  72   1.836   3.766 -11.855
  557   3H    CYS  72           HN3      CYS  72   1.929   5.305 -11.148
  558    HA   CYS  72           HA       CYS  72   1.991   3.682  -9.408
  559   1HB   CYS  72           HB2      CYS  72   4.374   2.372  -9.637
  560   2HB   CYS  72           HB1      CYS  72   2.800   1.680  -9.972
  561    H    LEU  73           HN       LEU  73   5.359   3.883 -10.399
  562    HA   LEU  73           HA       LEU  73   6.422   4.930  -8.103
  563   1HB   LEU  73           HB2      LEU  73   8.289   5.723  -9.393
  564   2HB   LEU  73           HB1      LEU  73   7.674   4.291 -10.219
  565    HG   LEU  73           HG       LEU  73   6.180   6.416 -11.271
  566   1HD1  LEU  73           HD13     LEU  73   7.908   7.922 -10.233
  567   2HD1  LEU  73           HD12     LEU  73   9.129   7.124 -11.226
  568   3HD1  LEU  73           HD11     LEU  73   7.832   8.042 -11.990
  569   1HD2  LEU  73           HD21     LEU  73   7.715   4.271 -12.150
  570   2HD2  LEU  73           HD23     LEU  73   6.830   5.391 -13.184
  571   3HD2  LEU  73           HD22     LEU  73   8.537   5.669 -12.841
  572    H    GLY  74           HN       GLY  74   7.199   7.214  -7.642
  573   1HA   GLY  74           HA2      GLY  74   5.273   9.259  -8.660
  574   2HA   GLY  74           HA1      GLY  74   5.575   9.104  -6.930
  575   1HN   DAR  75           HN       ARG  75   6.675  10.519  -9.843
  576    HA   DAR  75           HA       ARG  75   9.434  10.928  -9.260
  577   1HB   DAR  75           HB1      ARG  75   7.657  12.411  -7.573
  578   2HB   DAR  75           HB2      ARG  75   8.462  13.544  -8.660
  579   1HG   DAR  75           HG1      ARG  75  10.534  13.132  -7.765
  580   2HG   DAR  75           HG2      ARG  75  10.172  11.435  -7.446
  581   1HD   DAR  75           HD1      ARG  75   9.914  12.023  -5.281
  582   2HD   DAR  75           HD2      ARG  75   8.423  12.816  -5.784
  583    HNE  DAR  75           HE       ARG  75   9.452  14.816  -5.208
  584   1HH1  DAR  75           HH11     ARG  75  11.056  16.374  -5.363
  585   2HH1  DAR  75           HH12     ARG  75  12.627  15.934  -5.940
  586   1HH2  DAR  75           HH21     ARG  75  11.833  12.597  -6.398
  587   2HH2  DAR  75           HH22     ARG  75  13.060  13.807  -6.533
   
  No H/Q in entry =         587
  Start of MODEL   17
    1   1H    MET   1           HN1      MET   1   8.741  -8.702   2.489
    2   2H    MET   1           HN3      MET   1   9.520  -8.522   3.984
    3   3H    MET   1           HN2      MET   1   8.363  -7.380   3.489
    4    HA   MET   1           HA       MET   1   9.749  -6.500   1.836
    5   1HB   MET   1           HB2      MET   1  10.396  -5.670   3.994
    6   2HB   MET   1           HB1      MET   1  11.276  -7.152   4.369
    7   1HG   MET   1           HG2      MET   1  13.120  -6.458   3.261
    8   2HG   MET   1           HG1      MET   1  12.177  -5.906   1.878
    9   1HE   MET   1           HE1      MET   1  12.303  -3.989   1.115
   10   2HE   MET   1           HE3      MET   1  12.569  -2.412   1.869
   11   3HE   MET   1           HE2      MET   1  13.908  -3.543   1.687
   12    H    LEU   2           HN       LEU   2  11.893  -8.899   3.403
   13    HA   LEU   2           HA       LEU   2  13.126  -9.429   0.771
   14   1HB   LEU   2           HB2      LEU   2  14.323  -9.160   3.112
   15   2HB   LEU   2           HB1      LEU   2  13.906 -10.866   3.288
   16    HG   LEU   2           HG       LEU   2  14.896 -10.888   0.765
   17   1HD1  LEU   2           HD13     LEU   2  15.433  -8.412   1.044
   18   2HD1  LEU   2           HD12     LEU   2  16.636  -8.897   2.238
   19   3HD1  LEU   2           HD11     LEU   2  16.789  -9.432   0.566
   20   1HD2  LEU   2           HD22     LEU   2  15.754 -11.652   3.398
   21   2HD2  LEU   2           HD21     LEU   2  16.166 -12.398   1.853
   22   3HD2  LEU   2           HD23     LEU   2  17.156 -11.085   2.490
   23    H    GLN   3           HN       GLN   3  10.381 -10.456   2.039
   24    HA   GLN   3           HA       GLN   3  10.769 -13.250   1.049
   25   1HB   GLN   3           HB2      GLN   3   8.809 -13.728   2.732
   26   2HB   GLN   3           HB1      GLN   3  10.464 -13.630   3.335
   27   1HG   GLN   3           HG2      GLN   3  10.137 -11.323   4.019
   28   2HG   GLN   3           HG1      GLN   3   8.533 -11.294   3.282
   29   1HE2  GLN   3           HE22     GLN   3   7.116 -13.445   5.857
   30   2HE2  GLN   3           HE21     GLN   3   7.053 -13.211   4.177
   31    H    LYS   4           HN       LYS   4   8.635 -10.459   1.353
   32    HA   LYS   4           HA       LYS   4   6.492 -11.725  -0.188
   33   1HB   LYS   4           HB2      LYS   4   6.960  -8.929   0.857
   34   2HB   LYS   4           HB1      LYS   4   5.592  -9.316  -0.187
   35   1HG   LYS   4           HG2      LYS   4   4.710 -10.884   1.391
   36   2HG   LYS   4           HG1      LYS   4   6.191 -10.853   2.349
   37   1HD   LYS   4           HD2      LYS   4   5.253  -8.166   2.103
   38   2HD   LYS   4           HD1      LYS   4   3.893  -9.173   2.605
   39   1HE   LYS   4           HE2      LYS   4   5.017  -9.930   4.543
   40   2HE   LYS   4           HE1      LYS   4   6.589  -9.410   3.937
   41   1HZ   LYS   4           HZ1      LYS   4   4.645  -7.293   4.136
   42   2HZ   LYS   4           HZ3      LYS   4   5.042  -7.995   5.628
   43   3HZ   LYS   4           HZ2      LYS   4   6.265  -7.335   4.649
   44    H    LYS   5           HN       LYS   5   5.686 -10.024  -2.074
   45    HA   LYS   5           HA       LYS   5   8.068  -9.691  -3.855
   46   1HB   LYS   5           HB2      LYS   5   5.241 -10.569  -4.488
   47   2HB   LYS   5           HB1      LYS   5   6.382 -10.056  -5.733
   48   1HG   LYS   5           HG2      LYS   5   7.197 -12.155  -5.751
   49   2HG   LYS   5           HG1      LYS   5   7.805 -11.870  -4.119
   50   1HD   LYS   5           HD2      LYS   5   5.312 -12.428  -3.434
   51   2HD   LYS   5           HD1      LYS   5   5.295 -13.258  -4.990
   52   1HE   LYS   5           HE2      LYS   5   7.600 -13.720  -3.130
   53   2HE   LYS   5           HE1      LYS   5   6.071 -14.540  -2.814
   54   1HZ   LYS   5           HZ2      LYS   5   6.456 -14.848  -5.495
   55   2HZ   LYS   5           HZ1      LYS   5   8.015 -15.046  -4.847
   56   3HZ   LYS   5           HZ3      LYS   5   6.742 -16.025  -4.304
   57    H    ILE   6           HN       ILE   6   4.666  -8.622  -4.127
   58    HA   ILE   6           HA       ILE   6   5.329  -6.099  -5.241
   59    HB   ILE   6           HB       ILE   6   2.894  -7.251  -3.925
   60   1HG1  ILE   6           HG12     ILE   6   3.600  -7.508  -6.387
   61   2HG1  ILE   6           HG11     ILE   6   1.948  -6.971  -6.090
   62   1HG2  ILE   6           HG23     ILE   6   3.422  -4.321  -4.395
   63   2HG2  ILE   6           HG22     ILE   6   1.788  -4.968  -4.544
   64   3HG2  ILE   6           HG21     ILE   6   2.650  -5.096  -3.011
   65   1HD1  ILE   6           HD13     ILE   6   4.104  -4.905  -6.390
   66   2HD1  ILE   6           HD12     ILE   6   3.470  -5.690  -7.837
   67   3HD1  ILE   6           HD11     ILE   6   2.387  -4.790  -6.776
   68    H    GLU   7           HN       GLU   7   5.638  -7.224  -2.020
   69    HA   GLU   7           HA       GLU   7   5.191  -4.953  -0.441
   70   1HB   GLU   7           HB2      GLU   7   6.247  -7.401   0.040
   71   2HB   GLU   7           HB1      GLU   7   7.715  -6.425   0.098
   72   1HG   GLU   7           HG2      GLU   7   6.616  -6.631   2.329
   73   2HG   GLU   7           HG1      GLU   7   6.723  -4.958   1.778
   74    H    GLU   8           HN       GLU   8   8.471  -5.828  -1.601
   75    HA   GLU   8           HA       GLU   8   9.427  -3.128  -1.255
   76   1HB   GLU   8           HB2      GLU   8  11.344  -3.996  -2.760
   77   2HB   GLU   8           HB1      GLU   8  11.098  -4.831  -1.226
   78   1HG   GLU   8           HG2      GLU   8  10.040  -6.673  -2.262
   79   2HG   GLU   8           HG1      GLU   8   9.744  -5.774  -3.751
   80    H    ILE   9           HN       ILE   9   7.839  -4.825  -3.896
   81    HA   ILE   9           HA       ILE   9   8.522  -3.112  -6.048
   82    HB   ILE   9           HB       ILE   9   5.820  -4.336  -5.382
   83   1HG1  ILE   9           HG12     ILE   9   8.152  -5.241  -7.099
   84   2HG1  ILE   9           HG11     ILE   9   7.515  -6.044  -5.664
   85   1HG2  ILE   9           HG23     ILE   9   5.904  -2.352  -7.029
   86   2HG2  ILE   9           HG22     ILE   9   6.785  -3.441  -8.099
   87   3HG2  ILE   9           HG21     ILE   9   5.141  -3.836  -7.598
   88   1HD1  ILE   9           HD12     ILE   9   5.436  -5.593  -7.659
   89   2HD1  ILE   9           HD11     ILE   9   6.765  -6.557  -8.302
   90   3HD1  ILE   9           HD13     ILE   9   5.909  -7.090  -6.856
   91    H    ALA  10           HN       ALA  10   6.493  -2.726  -3.254
   92    HA   ALA  10           HA       ALA  10   5.524  -0.063  -4.056
   93   1HB   ALA  10           HB1      ALA  10   4.170  -1.708  -2.641
   94   2HB   ALA  10           HB3      ALA  10   5.317  -1.398  -1.338
   95   3HB   ALA  10           HB2      ALA  10   4.320  -0.086  -1.965
   96    H    ALA  11           HN       ALA  11   7.950  -1.609  -2.052
   97    HA   ALA  11           HA       ALA  11   8.819   0.620  -0.543
   98   1HB   ALA  11           HB1      ALA  11   9.595  -1.670  -0.100
   99   2HB   ALA  11           HB3      ALA  11  10.500  -1.646  -1.614
  100   3HB   ALA  11           HB2      ALA  11  10.951  -0.559  -0.301
  101    H    LYS  12           HN       LYS  12   9.155  -0.081  -3.911
  102    HA   LYS  12           HA       LYS  12  11.437   1.761  -4.251
  103   1HB   LYS  12           HB2      LYS  12  11.658   0.895  -6.399
  104   2HB   LYS  12           HB1      LYS  12  10.947  -0.478  -5.554
  105   1HG   LYS  12           HG2      LYS  12   8.679   0.345  -6.308
  106   2HG   LYS  12           HG1      LYS  12   9.514   1.525  -7.316
  107   1HD   LYS  12           HD2      LYS  12  10.823  -0.502  -8.256
  108   2HD   LYS  12           HD1      LYS  12   9.548  -1.483  -7.533
  109   1HE   LYS  12           HE2      LYS  12   8.643  -1.132  -9.637
  110   2HE   LYS  12           HE1      LYS  12   7.968   0.250  -8.775
  111   1HZ   LYS  12           HZ3      LYS  12  10.556   0.857  -9.745
  112   2HZ   LYS  12           HZ2      LYS  12   9.577   0.302 -11.018
  113   3HZ   LYS  12           HZ1      LYS  12   9.082   1.629 -10.079
  114    H    TYR  13           HN       TYR  13   8.028   1.946  -4.256
  115    HA   TYR  13           HA       TYR  13   7.673   4.028  -6.207
  116   1HB   TYR  13           HB2      TYR  13   6.043   3.134  -3.807
  117   2HB   TYR  13           HB1      TYR  13   5.549   4.494  -4.798
  118    HD1  TYR  13           HD1      TYR  13   7.172   1.301  -5.746
  119    HD2  TYR  13           HD2      TYR  13   3.639   3.744  -6.099
  120    HE1  TYR  13           HE1      TYR  13   6.250  -0.281  -7.397
  121    HE2  TYR  13           HE2      TYR  13   2.751   2.173  -7.755
  122    HH   TYR  13           HH       TYR  13   2.979  -0.143  -8.411
  123    H    LYS  14           HN       LYS  14   9.219   5.600  -5.945
  124    HA   LYS  14           HA       LYS  14  10.691   6.921  -4.430
  125   1HB   LYS  14           HB2      LYS  14   8.617   8.022  -6.030
  126   2HB   LYS  14           HB1      LYS  14   8.744   9.004  -4.568
  127   1HG   LYS  14           HG2      LYS  14  10.546   9.994  -5.491
  128   2HG   LYS  14           HG1      LYS  14  11.396   8.459  -5.305
  129   1HD   LYS  14           HD2      LYS  14   9.754   8.183  -7.593
  130   2HD   LYS  14           HD1      LYS  14  10.540   9.756  -7.731
  131   1HE   LYS  14           HE2      LYS  14  12.605   8.171  -6.849
  132   2HE   LYS  14           HE1      LYS  14  11.707   7.056  -7.879
  133   1HZ   LYS  14           HZ1      LYS  14  11.700   9.244  -9.389
  134   2HZ   LYS  14           HZ3      LYS  14  13.177   9.459  -8.583
  135   3HZ   LYS  14           HZ2      LYS  14  12.900   8.047  -9.487
  136    H    HIS  15           HN       HIS  15  10.945   6.589  -2.282
  137    HA   HIS  15           HA       HIS  15   9.063   6.288  -0.278
  138   1HB   HIS  15           HB2      HIS  15  10.777   7.145   1.298
  139   2HB   HIS  15           HB1      HIS  15  11.470   6.033   0.120
  140    HD1  HIS  15           HD1      HIS  15  13.064   8.367   1.594
  141    HD2  HIS  15           HD2      HIS  15  11.557   8.518  -2.290
  142    HE1  HIS  15           HE1      HIS  15  14.428  10.106   0.363
  143    H    SER  16           HN       SER  16   9.875   9.246  -1.943
  144    HA   SER  16           HA       SER  16   9.173  11.272  -0.206
  145   1HB   SER  16           HB2      SER  16   8.931  10.859  -3.101
  146   2HB   SER  16           HB1      SER  16   7.749  11.998  -2.461
  147    HG   SER  16           HG       SER  16   9.535  13.198  -2.832
  148    H    VAL  17           HN       VAL  17   6.649  10.128  -2.420
  149    HA   VAL  17           HA       VAL  17   4.795   9.870  -0.098
  150    HB   VAL  17           HB       VAL  17   4.392  11.516  -2.607
  151   1HG1  VAL  17           HG12     VAL  17   2.387  10.205  -0.796
  152   2HG1  VAL  17           HG11     VAL  17   2.016  11.775  -1.509
  153   3HG1  VAL  17           HG13     VAL  17   2.349  10.390  -2.549
  154   1HG2  VAL  17           HG23     VAL  17   4.174  12.050   0.370
  155   2HG2  VAL  17           HG22     VAL  17   5.346  12.739  -0.753
  156   3HG2  VAL  17           HG21     VAL  17   3.645  13.191  -0.868
  157    H    VAL  18           HN       VAL  18   5.205   9.421  -3.599
  158    HA   VAL  18           HA       VAL  18   3.256   7.580  -4.229
  159    HB   VAL  18           HB       VAL  18   4.944   8.391  -5.821
  160   1HG1  VAL  18           HG11     VAL  18   6.703   6.879  -3.951
  161   2HG1  VAL  18           HG13     VAL  18   7.159   6.921  -5.652
  162   3HG1  VAL  18           HG12     VAL  18   6.985   8.424  -4.744
  163   1HG2  VAL  18           HG22     VAL  18   4.150   5.599  -5.513
  164   2HG2  VAL  18           HG21     VAL  18   4.222   6.582  -6.976
  165   3HG2  VAL  18           HG23     VAL  18   5.667   5.754  -6.398
  166    H    LYS  19           HN       LYS  19   5.956   7.056  -2.057
  167    HA   LYS  19           HA       LYS  19   5.907   4.173  -2.162
  168   1HB   LYS  19           HB2      LYS  19   7.881   4.953  -1.211
  169   2HB   LYS  19           HB1      LYS  19   7.069   6.241  -0.333
  170   1HG   LYS  19           HG2      LYS  19   6.781   4.929   1.497
  171   2HG   LYS  19           HG1      LYS  19   6.208   3.571   0.529
  172   1HD   LYS  19           HD2      LYS  19   8.230   2.575   0.539
  173   2HD   LYS  19           HD1      LYS  19   9.061   4.080   0.150
  174   1HE   LYS  19           HE2      LYS  19   9.292   4.689   2.391
  175   2HE   LYS  19           HE1      LYS  19   7.931   3.689   2.904
  176   1HZ   LYS  19           HZ2      LYS  19   9.618   1.871   1.869
  177   2HZ   LYS  19           HZ1      LYS  19  10.706   2.983   2.552
  178   3HZ   LYS  19           HZ3      LYS  19   9.517   2.260   3.520
  179    H    LYS  20           HN       LYS  20   5.158   5.917   0.837
  180    HA   LYS  20           HA       LYS  20   3.473   4.068   1.993
  181   1HB   LYS  20           HB2      LYS  20   4.141   6.196   3.078
  182   2HB   LYS  20           HB1      LYS  20   3.025   7.070   2.029
  183   1HG   LYS  20           HG2      LYS  20   1.127   6.098   3.035
  184   2HG   LYS  20           HG1      LYS  20   2.066   4.784   3.744
  185   1HD   LYS  20           HD2      LYS  20   2.199   6.002   5.634
  186   2HD   LYS  20           HD1      LYS  20   3.220   7.139   4.754
  187   1HE   LYS  20           HE2      LYS  20   1.386   8.531   4.197
  188   2HE   LYS  20           HE1      LYS  20   0.210   7.279   4.594
  189   1HZ   LYS  20           HZ2      LYS  20   1.490   7.529   6.916
  190   2HZ   LYS  20           HZ1      LYS  20   1.613   9.121   6.337
  191   3HZ   LYS  20           HZ3      LYS  20   0.088   8.402   6.518
  192    H    CYS  21           HN       CYS  21   2.740   6.144  -0.704
  193    HA   CYS  21           HA       CYS  21  -0.142   5.891  -0.719
  194   1HB   CYS  21           HB2      CYS  21   1.792   6.194  -3.015
  195   2HB   CYS  21           HB1      CYS  21   0.056   6.443  -3.033
  196    H    CYS  22           HN       CYS  22   2.314   4.288  -2.769
  197    HA   CYS  22           HA       CYS  22   0.585   2.434  -3.920
  198   1HB   CYS  22           HB2      CYS  22   2.542   2.500  -4.985
  199   2HB   CYS  22           HB1      CYS  22   3.512   2.576  -3.521
  200    H    TYR  23           HN       TYR  23   2.409   2.281  -0.893
  201    HA   TYR  23           HA       TYR  23   1.692  -0.401  -0.198
  202   1HB   TYR  23           HB2      TYR  23   2.429   2.035   1.431
  203   2HB   TYR  23           HB1      TYR  23   1.952   0.528   2.213
  204    HD1  TYR  23           HD2      TYR  23   4.359   2.013  -0.188
  205    HD2  TYR  23           HD1      TYR  23   3.464  -1.310   2.372
  206    HE1  TYR  23           HE2      TYR  23   6.653   1.137  -0.530
  207    HE2  TYR  23           HE1      TYR  23   5.757  -2.196   2.025
  208    HH   TYR  23           HH       TYR  23   8.024  -1.227   1.391
  209    H    ASP  24           HN       ASP  24   0.152   2.734   0.105
  210    HA   ASP  24           HA       ASP  24  -2.075   1.981   1.717
  211   1HB   ASP  24           HB2      ASP  24  -1.527   4.240  -0.229
  212   2HB   ASP  24           HB1      ASP  24  -3.178   3.969   0.354
  213    H    GLY  25           HN       GLY  25  -1.491   1.782  -1.758
  214   1HA   GLY  25           HA2      GLY  25  -4.182   1.043  -2.485
  215   2HA   GLY  25           HA1      GLY  25  -2.741   0.783  -3.469
  216    H    ALA  26           HN       ALA  26  -1.206  -0.955  -2.304
  217    HA   ALA  26           HA       ALA  26  -2.721  -3.427  -2.365
  218   1HB   ALA  26           HB1      ALA  26  -0.052  -2.692  -2.737
  219   2HB   ALA  26           HB3      ALA  26  -0.035  -3.699  -1.291
  220   3HB   ALA  26           HB2      ALA  26  -0.707  -4.328  -2.796
  221    H    SER  27           HN       SER  27  -2.260  -1.231   0.171
  222    HA   SER  27           HA       SER  27  -2.222  -3.369   2.219
  223   1HB   SER  27           HB2      SER  27  -1.926  -0.407   2.395
  224   2HB   SER  27           HB1      SER  27  -2.024  -1.437   3.797
  225    HG   SER  27           HG       SER  27  -0.254  -2.616   2.461
  226    H    VAL  28           HN       VAL  28  -3.993  -0.333   1.682
  227    HA   VAL  28           HA       VAL  28  -6.073  -0.604   3.446
  228    HB   VAL  28           HB       VAL  28  -7.434   0.670   1.845
  229   1HG1  VAL  28           HG11     VAL  28  -4.605   1.274   2.424
  230   2HG1  VAL  28           HG13     VAL  28  -5.307   2.217   1.108
  231   3HG1  VAL  28           HG12     VAL  28  -6.045   2.252   2.709
  232   1HG2  VAL  28           HG21     VAL  28  -5.474  -0.536  -0.054
  233   2HG2  VAL  28           HG23     VAL  28  -7.198  -0.235  -0.267
  234   3HG2  VAL  28           HG22     VAL  28  -6.048   1.094  -0.404
  235    H    ASN  29           HN       ASN  29  -8.282  -1.471   3.213
  236    HA   ASN  29           HA       ASN  29  -8.522  -4.168   2.742
  237   1HB   ASN  29           HB2      ASN  29 -10.322  -2.091   3.240
  238   2HB   ASN  29           HB1      ASN  29 -10.900  -2.805   1.736
  239   1HD2  ASN  29           HD22     ASN  29 -10.635  -5.330   4.984
  240   2HD2  ASN  29           HD21     ASN  29  -9.452  -4.130   4.778
  241    H    ASN  30           HN       ASN  30  -9.715  -5.308   0.918
  242    HA   ASN  30           HA       ASN  30  -8.355  -5.377  -1.461
  243   1HB   ASN  30           HB2      ASN  30 -10.948  -6.261  -0.564
  244   2HB   ASN  30           HB1      ASN  30 -11.065  -5.687  -2.227
  245   1HD2  ASN  30           HD22     ASN  30  -8.607  -8.890  -1.426
  246   2HD2  ASN  30           HD21     ASN  30  -8.960  -7.790  -0.184
  247    H    ASP  31           HN       ASP  31 -10.716  -2.962  -0.507
  248    HA   ASP  31           HA       ASP  31  -9.881  -1.319  -2.809
  249   1HB   ASP  31           HB2      ASP  31 -12.771  -2.109  -2.334
  250   2HB   ASP  31           HB1      ASP  31 -12.243  -0.865  -3.467
  251    H    GLU  32           HN       GLU  32 -10.079  -1.407   0.344
  252    HA   GLU  32           HA       GLU  32 -11.762   0.596   1.303
  253   1HB   GLU  32           HB2      GLU  32 -10.476  -0.342   2.986
  254   2HB   GLU  32           HB1      GLU  32  -8.993  -0.261   2.043
  255   1HG   GLU  32           HG2      GLU  32  -8.557   1.908   2.674
  256   2HG   GLU  32           HG1      GLU  32 -10.267   2.331   2.765
  257    H    THR  33           HN       THR  33  -8.411   1.149   0.163
  258    HA   THR  33           HA       THR  33  -9.223   3.934  -0.542
  259    HB   THR  33           HB       THR  33  -6.384   2.939  -0.395
  260    HG1  THR  33           HG1      THR  33  -8.114   3.767   1.676
  261   1HG2  THR  33           HG23     THR  33  -7.747   5.625  -0.137
  262   2HG2  THR  33           HG22     THR  33  -6.037   5.365   0.205
  263   3HG2  THR  33           HG21     THR  33  -6.661   5.095  -1.423
  264    H    CYS  34           HN       CYS  34  -7.482   1.073  -1.760
  265    HA   CYS  34           HA       CYS  34  -6.563   1.772  -4.254
  266   1HB   CYS  34           HB2      CYS  34  -6.688  -0.553  -3.399
  267   2HB   CYS  34           HB1      CYS  34  -8.423  -0.564  -3.716
  268    H    GLU  35           HN       GLU  35  -9.950   1.557  -3.277
  269    HA   GLU  35           HA       GLU  35 -10.878   2.209  -6.011
  270   1HB   GLU  35           HB2      GLU  35 -12.107   0.516  -4.722
  271   2HB   GLU  35           HB1      GLU  35 -12.439   1.706  -3.463
  272   1HG   GLU  35           HG2      GLU  35 -14.369   2.011  -4.652
  273   2HG   GLU  35           HG1      GLU  35 -13.341   3.060  -5.631
  274    H    GLN  36           HN       GLN  36 -11.873   3.545  -2.829
  275    HA   GLN  36           HA       GLN  36 -12.925   5.941  -3.733
  276   1HB   GLN  36           HB2      GLN  36 -11.388   5.272  -1.233
  277   2HB   GLN  36           HB1      GLN  36 -11.958   6.917  -1.515
  278   1HG   GLN  36           HG2      GLN  36 -14.264   5.951  -1.905
  279   2HG   GLN  36           HG1      GLN  36 -13.634   4.400  -1.351
  280   1HE2  GLN  36           HE22     GLN  36 -13.998   7.462   1.376
  281   2HE2  GLN  36           HE21     GLN  36 -13.850   7.837  -0.272
  282    H    ARG  37           HN       ARG  37  -9.605   5.006  -3.743
  283    HA   ARG  37           HA       ARG  37  -8.725   7.759  -4.340
  284   1HB   ARG  37           HB2      ARG  37  -7.525   5.429  -3.100
  285   2HB   ARG  37           HB1      ARG  37  -6.515   6.030  -4.412
  286   1HG   ARG  37           HG2      ARG  37  -6.161   7.028  -2.047
  287   2HG   ARG  37           HG1      ARG  37  -6.262   8.142  -3.405
  288   1HD   ARG  37           HD2      ARG  37  -8.362   8.914  -2.793
  289   2HD   ARG  37           HD1      ARG  37  -8.795   7.404  -1.994
  290    HE   ARG  37           HE       ARG  37  -6.738   8.419  -0.435
  291   1HH1  ARG  37           HH21     ARG  37  -9.767   9.555  -1.647
  292   2HH1  ARG  37           HH22     ARG  37 -10.053  10.613  -0.305
  293   1HH2  ARG  37           HH12     ARG  37  -7.102   9.796   1.318
  294   2HH2  ARG  37           HH11     ARG  37  -8.547  10.749   1.370
  295    H    ALA  38           HN       ALA  38  -8.533   4.451  -5.774
  296    HA   ALA  38           HA       ALA  38  -7.331   5.498  -8.212
  297   1HB   ALA  38           HB2      ALA  38  -7.107   3.116  -7.373
  298   2HB   ALA  38           HB1      ALA  38  -8.772   2.857  -7.892
  299   3HB   ALA  38           HB3      ALA  38  -7.533   3.268  -9.077
  300    H    ALA  39           HN       ALA  39 -10.586   4.219  -7.474
  301    HA   ALA  39           HA       ALA  39 -11.649   5.015 -10.048
  302   1HB   ALA  39           HB3      ALA  39 -12.533   3.479  -7.834
  303   2HB   ALA  39           HB2      ALA  39 -13.707   4.777  -8.047
  304   3HB   ALA  39           HB1      ALA  39 -13.343   3.689  -9.386
  305    H    ARG  40           HN       ARG  40 -11.972   6.351  -6.745
  306    HA   ARG  40           HA       ARG  40 -13.266   8.763  -7.873
  307   1HB   ARG  40           HB2      ARG  40 -13.062   7.492  -5.217
  308   2HB   ARG  40           HB1      ARG  40 -12.967   9.253  -5.191
  309   1HG   ARG  40           HG2      ARG  40 -15.122   9.520  -5.938
  310   2HG   ARG  40           HG1      ARG  40 -15.071   8.058  -6.924
  311   1HD   ARG  40           HD2      ARG  40 -14.845   7.546  -4.036
  312   2HD   ARG  40           HD1      ARG  40 -16.378   8.276  -4.512
  313    HE   ARG  40           HE       ARG  40 -16.019   6.241  -6.356
  314   1HH1  ARG  40           HH21     ARG  40 -16.011   6.525  -2.913
  315   2HH1  ARG  40           HH22     ARG  40 -16.596   4.917  -2.651
  316   1HH2  ARG  40           HH12     ARG  40 -16.782   4.145  -6.026
  317   2HH2  ARG  40           HH11     ARG  40 -17.034   3.572  -4.411
  318    H    ILE  41           HN       ILE  41 -11.835  10.219  -8.718
  319    HA   ILE  41           HA       ILE  41  -9.525  11.006  -7.006
  320    HB   ILE  41           HB       ILE  41  -9.428  10.331  -9.958
  321   1HG1  ILE  41           HG12     ILE  41  -7.671   9.377  -7.693
  322   2HG1  ILE  41           HG11     ILE  41  -9.148   8.533  -8.162
  323   1HG2  ILE  41           HG21     ILE  41  -7.650  12.007  -8.231
  324   2HG2  ILE  41           HG23     ILE  41  -6.929  11.022  -9.502
  325   3HG2  ILE  41           HG22     ILE  41  -8.124  12.253  -9.911
  326   1HD1  ILE  41           HD11     ILE  41  -7.073   9.225 -10.231
  327   2HD1  ILE  41           HD13     ILE  41  -6.899   7.777  -9.240
  328   3HD1  ILE  41           HD12     ILE  41  -8.308   7.968 -10.282
  329    H    SER  42           HN       SER  42 -10.467  13.002  -6.463
  330    HA   SER  42           HA       SER  42 -11.921  14.711  -8.174
  331   1HB   SER  42           HB2      SER  42 -10.780  14.879  -5.578
  332   2HB   SER  42           HB1      SER  42 -10.218  16.289  -6.471
  333    HG   SER  42           HG       SER  42 -12.401  16.283  -5.339
  334    H    LEU  43           HN       LEU  43  -8.470  15.132  -7.311
  335    HA   LEU  43           HA       LEU  43  -8.043  16.155 -10.091
  336   1HB   LEU  43           HB2      LEU  43  -6.063  17.407  -8.830
  337   2HB   LEU  43           HB1      LEU  43  -7.683  18.098  -8.885
  338    HG   LEU  43           HG       LEU  43  -8.140  16.881  -6.690
  339   1HD1  LEU  43           HD13     LEU  43  -5.127  16.565  -6.842
  340   2HD1  LEU  43           HD12     LEU  43  -6.078  16.323  -5.378
  341   3HD1  LEU  43           HD11     LEU  43  -6.318  15.267  -6.770
  342   1HD2  LEU  43           HD22     LEU  43  -7.393  19.360  -7.074
  343   2HD2  LEU  43           HD21     LEU  43  -7.334  18.698  -5.440
  344   3HD2  LEU  43           HD23     LEU  43  -5.857  18.822  -6.395
  345    H    GLY  44           HN       GLY  44  -7.282  13.775  -7.844
  346   1HA   GLY  44           HA2      GLY  44  -5.808  11.944  -8.093
  347   2HA   GLY  44           HA1      GLY  44  -5.185  12.690  -9.564
  348    HA   PRO  45           HA       PRO  45  -3.109  14.901  -5.562
  349   1HB   PRO  45           HB2      PRO  45  -2.981  12.556  -3.859
  350   2HB   PRO  45           HB1      PRO  45  -3.624  14.159  -3.488
  351   1HG   PRO  45           HG2      PRO  45  -5.081  11.753  -3.996
  352   2HG   PRO  45           HG1      PRO  45  -5.720  13.359  -3.629
  353   1HD   PRO  45           HD2      PRO  45  -5.931  11.983  -6.078
  354   2HD   PRO  45           HD1      PRO  45  -6.336  13.680  -5.779
  355    H    ARG  46           HN       ARG  46  -2.531  11.388  -5.334
  356    HA   ARG  46           HA       ARG  46  -0.429  11.242  -7.237
  357   1HB   ARG  46           HB2      ARG  46   0.826  12.779  -5.875
  358   2HB   ARG  46           HB1      ARG  46   0.433  11.887  -4.406
  359   1HG   ARG  46           HG2      ARG  46   2.742  11.411  -5.247
  360   2HG   ARG  46           HG1      ARG  46   1.728   9.970  -5.166
  361   1HD   ARG  46           HD2      ARG  46   2.923   9.999  -7.297
  362   2HD   ARG  46           HD1      ARG  46   1.201  10.247  -7.588
  363    HE   ARG  46           HE       ARG  46   2.209  12.817  -7.371
  364   1HH1  ARG  46           HH21     ARG  46   2.951   9.989  -9.209
  365   2HH1  ARG  46           HH22     ARG  46   3.542  10.875 -10.574
  366   1HH2  ARG  46           HH12     ARG  46   2.976  13.982  -9.146
  367   2HH2  ARG  46           HH11     ARG  46   3.557  13.132 -10.539
  368    H    CYS  47           HN       CYS  47  -1.356  10.142  -3.957
  369    HA   CYS  47           HA       CYS  47  -0.237   7.551  -4.238
  370   1HB   CYS  47           HB2      CYS  47  -2.704   8.174  -2.593
  371   2HB   CYS  47           HB1      CYS  47  -1.593   6.855  -2.346
  372    H    ILE  48           HN       ILE  48  -3.273   8.881  -5.406
  373    HA   ILE  48           HA       ILE  48  -4.437   6.321  -5.904
  374    HB   ILE  48           HB       ILE  48  -6.122   7.433  -7.080
  375   1HG1  ILE  48           HG12     ILE  48  -4.508   8.504  -8.757
  376   2HG1  ILE  48           HG11     ILE  48  -5.928   9.445  -8.338
  377   1HG2  ILE  48           HG22     ILE  48  -5.027   8.715  -4.769
  378   2HG2  ILE  48           HG21     ILE  48  -5.733   9.940  -5.821
  379   3HG2  ILE  48           HG23     ILE  48  -6.713   8.587  -5.261
  380   1HD1  ILE  48           HD12     ILE  48  -3.235   9.789  -7.004
  381   2HD1  ILE  48           HD11     ILE  48  -3.829  10.795  -8.324
  382   3HD1  ILE  48           HD13     ILE  48  -4.668  10.787  -6.773
  383    H    LYS  49           HN       LYS  49  -2.647   8.501  -8.174
  384    HA   LYS  49           HA       LYS  49  -2.684   6.644 -10.331
  385   1HB   LYS  49           HB2      LYS  49  -0.526   8.664  -9.652
  386   2HB   LYS  49           HB1      LYS  49  -0.830   7.949 -11.231
  387   1HG   LYS  49           HG2      LYS  49  -3.307   8.983 -10.410
  388   2HG   LYS  49           HG1      LYS  49  -2.123  10.220  -9.988
  389   1HD   LYS  49           HD2      LYS  49  -1.395  10.464 -12.207
  390   2HD   LYS  49           HD1      LYS  49  -2.039   8.893 -12.689
  391   1HE   LYS  49           HE2      LYS  49  -4.299  10.196 -11.810
  392   2HE   LYS  49           HE1      LYS  49  -3.383  11.507 -12.555
  393   1HZ   LYS  49           HZ2      LYS  49  -3.313   9.117 -14.116
  394   2HZ   LYS  49           HZ1      LYS  49  -4.904   9.656 -13.863
  395   3HZ   LYS  49           HZ3      LYS  49  -3.762  10.692 -14.570
  396    H    ALA  50           HN       ALA  50   0.046   7.377  -8.133
  397    HA   ALA  50           HA       ALA  50   1.735   5.231  -8.824
  398   1HB   ALA  50           HB2      ALA  50   1.228   6.374  -6.059
  399   2HB   ALA  50           HB1      ALA  50   2.602   5.363  -6.502
  400   3HB   ALA  50           HB3      ALA  50   2.421   6.967  -7.213
  401    H    PHE  51           HN       PHE  51  -0.304   5.342  -5.987
  402    HA   PHE  51           HA       PHE  51  -0.072   2.598  -5.522
  403   1HB   PHE  51           HB2      PHE  51  -1.024   3.106  -3.609
  404   2HB   PHE  51           HB1      PHE  51  -0.971   4.765  -4.107
  405    HD1  PHE  51           HD1      PHE  51  -3.274   4.426  -6.231
  406    HD2  PHE  51           HD2      PHE  51  -2.868   3.329  -2.123
  407    HE1  PHE  51           HE1      PHE  51  -5.726   4.449  -5.985
  408    HE2  PHE  51           HE2      PHE  51  -5.326   3.385  -1.874
  409    HZ   PHE  51           HZ       PHE  51  -6.754   3.934  -3.809
  410    H    THR  52           HN       THR  52  -1.885   4.090  -7.938
  411    HA   THR  52           HA       THR  52  -4.121   2.197  -7.887
  412    HB   THR  52           HB       THR  52  -3.226   4.381  -9.748
  413    HG1  THR  52           HG1      THR  52  -5.508   3.606  -8.318
  414   1HG2  THR  52           HG22     THR  52  -4.611   1.889 -10.578
  415   2HG2  THR  52           HG21     THR  52  -5.340   3.396 -11.133
  416   3HG2  THR  52           HG23     THR  52  -3.665   3.024 -11.540
  417    H    GLU  53           HN       GLU  53  -1.486   2.789 -10.253
  418    HA   GLU  53           HA       GLU  53  -1.716   0.231 -11.496
  419   1HB   GLU  53           HB2      GLU  53  -0.035   2.415 -11.782
  420   2HB   GLU  53           HB1      GLU  53   1.053   1.165 -11.183
  421   1HG   GLU  53           HG2      GLU  53   0.762  -0.178 -13.040
  422   2HG   GLU  53           HG1      GLU  53  -0.873   0.413 -13.338
  423    H    CYS  54           HN       CYS  54  -0.124   1.282  -8.552
  424    HA   CYS  54           HA       CYS  54   1.231  -1.210  -8.017
  425   1HB   CYS  54           HB2      CYS  54   2.131   0.636  -6.924
  426   2HB   CYS  54           HB1      CYS  54   0.553   1.256  -6.429
  427    H    CYS  55           HN       CYS  55  -1.995   0.040  -7.231
  428    HA   CYS  55           HA       CYS  55  -2.565  -2.158  -5.406
  429   1HB   CYS  55           HB2      CYS  55  -3.913  -0.219  -5.017
  430   2HB   CYS  55           HB1      CYS  55  -4.372  -0.077  -6.708
  431    H    VAL  56           HN       VAL  56  -3.948  -1.336  -8.625
  432    HA   VAL  56           HA       VAL  56  -5.195  -3.716  -9.251
  433    HB   VAL  56           HB       VAL  56  -5.396  -2.243 -11.021
  434   1HG1  VAL  56           HG13     VAL  56  -2.686  -1.437 -10.167
  435   2HG1  VAL  56           HG12     VAL  56  -3.019  -1.231 -11.887
  436   3HG1  VAL  56           HG11     VAL  56  -4.047  -0.444 -10.688
  437   1HG2  VAL  56           HG23     VAL  56  -4.534  -4.411 -11.961
  438   2HG2  VAL  56           HG22     VAL  56  -4.156  -3.016 -12.972
  439   3HG2  VAL  56           HG21     VAL  56  -2.910  -3.723 -11.944
  440    H    VAL  57           HN       VAL  57  -1.748  -3.053 -10.074
  441    HA   VAL  57           HA       VAL  57  -1.058  -5.655 -10.835
  442    HB   VAL  57           HB       VAL  57   0.496  -3.777 -10.985
  443   1HG1  VAL  57           HG13     VAL  57  -0.266  -2.971  -8.618
  444   2HG1  VAL  57           HG12     VAL  57   1.032  -4.013  -8.037
  445   3HG1  VAL  57           HG11     VAL  57   1.394  -2.676  -9.127
  446   1HG2  VAL  57           HG23     VAL  57   1.302  -6.194 -10.806
  447   2HG2  VAL  57           HG22     VAL  57   2.499  -4.965 -10.397
  448   3HG2  VAL  57           HG21     VAL  57   1.673  -5.851  -9.116
  449    H    ALA  58           HN       ALA  58  -1.008  -4.322  -7.488
  450    HA   ALA  58           HA       ALA  58  -0.124  -6.631  -6.161
  451   1HB   ALA  58           HB3      ALA  58  -1.544  -4.227  -5.450
  452   2HB   ALA  58           HB2      ALA  58  -2.252  -5.600  -4.601
  453   3HB   ALA  58           HB1      ALA  58  -0.533  -5.250  -4.429
  454    H    SER  59           HN       SER  59  -3.572  -5.784  -6.433
  455    HA   SER  59           HA       SER  59  -4.597  -8.340  -5.780
  456   1HB   SER  59           HB2      SER  59  -6.286  -7.052  -7.733
  457   2HB   SER  59           HB1      SER  59  -6.564  -7.272  -6.006
  458    HG   SER  59           HG       SER  59  -6.393  -5.036  -6.832
  459    H    GLN  60           HN       GLN  60  -4.872  -6.979  -9.058
  460    HA   GLN  60           HA       GLN  60  -5.453  -9.182 -10.523
  461   1HB   GLN  60           HB2      GLN  60  -3.634  -6.875 -11.110
  462   2HB   GLN  60           HB1      GLN  60  -3.720  -8.198 -12.274
  463   1HG   GLN  60           HG2      GLN  60  -6.300  -7.134 -11.218
  464   2HG   GLN  60           HG1      GLN  60  -5.418  -6.130 -12.371
  465   1HE2  GLN  60           HE22     GLN  60  -7.297  -8.116 -14.712
  466   2HE2  GLN  60           HE21     GLN  60  -7.336  -6.658 -13.842
  467    H    LEU  61           HN       LEU  61  -2.360  -8.545  -9.024
  468    HA   LEU  61           HA       LEU  61  -0.943 -10.750 -10.314
  469   1HB   LEU  61           HB2      LEU  61  -0.415  -8.976  -7.936
  470   2HB   LEU  61           HB1      LEU  61   0.620 -10.346  -8.283
  471    HG   LEU  61           HG       LEU  61   0.996  -7.878  -9.199
  472   1HD1  LEU  61           HD12     LEU  61   2.493  -9.913  -9.308
  473   2HD1  LEU  61           HD11     LEU  61   1.746 -10.263 -10.867
  474   3HD1  LEU  61           HD13     LEU  61   2.660  -8.773 -10.642
  475   1HD2  LEU  61           HD23     LEU  61  -1.078  -8.025 -10.626
  476   2HD2  LEU  61           HD22     LEU  61   0.388  -7.677 -11.539
  477   3HD2  LEU  61           HD21     LEU  61  -0.283  -9.308 -11.536
  478    H    ARG  62           HN       ARG  62  -1.144 -10.295  -6.870
  479    HA   ARG  62           HA       ARG  62  -0.973 -12.811  -5.903
  480   1HB   ARG  62           HB2      ARG  62  -2.328 -10.433  -4.990
  481   2HB   ARG  62           HB1      ARG  62  -3.249 -11.860  -4.515
  482   1HG   ARG  62           HG2      ARG  62  -1.146 -12.854  -3.592
  483   2HG   ARG  62           HG1      ARG  62  -0.314 -11.343  -3.960
  484   1HD   ARG  62           HD2      ARG  62  -2.745 -10.769  -2.539
  485   2HD   ARG  62           HD1      ARG  62  -1.819 -11.965  -1.637
  486    HE   ARG  62           HE       ARG  62  -1.222  -9.200  -1.761
  487   1HH1  ARG  62           HH21     ARG  62   0.373 -12.241  -2.202
  488   2HH1  ARG  62           HH22     ARG  62   1.957 -11.568  -2.038
  489   1HH2  ARG  62           HH12     ARG  62   0.837  -8.333  -1.527
  490   2HH2  ARG  62           HH11     ARG  62   2.220  -9.368  -1.647
  491    H    ALA  63           HN       ALA  63  -4.164 -11.584  -7.020
  492    HA   ALA  63           HA       ALA  63  -5.693 -13.876  -6.665
  493   1HB   ALA  63           HB3      ALA  63  -5.654 -11.834  -8.883
  494   2HB   ALA  63           HB2      ALA  63  -6.775 -13.192  -8.941
  495   3HB   ALA  63           HB1      ALA  63  -6.846 -12.048  -7.601
  496    H    ASN  64           HN       ASN  64  -3.843 -13.145  -9.640
  497    HA   ASN  64           HA       ASN  64  -3.176 -16.025  -9.873
  498   1HB   ASN  64           HB2      ASN  64  -5.242 -14.844 -11.384
  499   2HB   ASN  64           HB1      ASN  64  -3.863 -14.956 -12.478
  500   1HD2  ASN  64           HD22     ASN  64  -5.559 -18.228 -12.732
  501   2HD2  ASN  64           HD21     ASN  64  -5.873 -16.623 -13.188
  502    H    ILE  65           HN       ILE  65  -1.231 -14.507  -9.099
  503    HA   ILE  65           HA       ILE  65   0.061 -12.815 -10.992
  504    HB   ILE  65           HB       ILE  65   2.089 -14.181  -9.485
  505   1HG1  ILE  65           HG12     ILE  65  -0.331 -13.291  -7.885
  506   2HG1  ILE  65           HG11     ILE  65   0.304 -14.934  -7.975
  507   1HG2  ILE  65           HG21     ILE  65   0.872 -11.482  -9.764
  508   2HG2  ILE  65           HG23     ILE  65   1.827 -11.769  -8.310
  509   3HG2  ILE  65           HG22     ILE  65   2.560 -11.970  -9.902
  510   1HD1  ILE  65           HD11     ILE  65   2.545 -13.769  -7.184
  511   2HD1  ILE  65           HD13     ILE  65   1.438 -12.538  -6.577
  512   3HD1  ILE  65           HD12     ILE  65   1.302 -14.202  -6.009
  513    H    SER  66           HN       SER  66  -0.393 -16.178 -11.131
  514    HA   SER  66           HA       SER  66   1.895 -17.250 -12.255
  515   1HB   SER  66           HB2      SER  66   0.340 -18.580 -13.758
  516   2HB   SER  66           HB1      SER  66  -0.063 -18.629 -12.043
  517    HG   SER  66           HG       SER  66  -1.359 -17.379 -14.173
  518    H    HIS  67           HN       HIS  67  -0.160 -14.769 -13.613
  519    HA   HIS  67           HA       HIS  67   1.060 -14.969 -16.281
  520   1HB   HIS  67           HB2      HIS  67  -1.365 -14.128 -15.557
  521   2HB   HIS  67           HB1      HIS  67  -0.527 -12.581 -15.429
  522    HD1  HIS  67           HD1      HIS  67  -1.513 -11.519 -17.544
  523    HD2  HIS  67           HD2      HIS  67   0.351 -15.175 -18.278
  524    HE1  HIS  67           HE1      HIS  67  -1.353 -11.750 -20.061
  525    H    LYS  68           HN       LYS  68   1.005 -11.881 -16.375
  526    HA   LYS  68           HA       LYS  68   3.744 -11.548 -15.240
  527   1HB   LYS  68           HB2      LYS  68   3.032 -11.163 -17.783
  528   2HB   LYS  68           HB1      LYS  68   2.578  -9.577 -17.159
  529   1HG   LYS  68           HG2      LYS  68   4.823  -9.221 -16.292
  530   2HG   LYS  68           HG1      LYS  68   5.296 -10.858 -16.749
  531   1HD   LYS  68           HD2      LYS  68   5.826 -10.147 -18.814
  532   2HD   LYS  68           HD1      LYS  68   4.183  -9.547 -19.046
  533   1HE   LYS  68           HE2      LYS  68   5.231  -7.638 -17.380
  534   2HE   LYS  68           HE1      LYS  68   6.642  -8.074 -18.344
  535   1HZ   LYS  68           HZ2      LYS  68   3.990  -7.370 -19.477
  536   2HZ   LYS  68           HZ1      LYS  68   5.288  -6.285 -19.333
  537   3HZ   LYS  68           HZ3      LYS  68   5.427  -7.642 -20.341
  538    H    ASP  69           HN       ASP  69   4.211  -9.205 -14.551
  539    HA   ASP  69           HA       ASP  69   1.982  -8.308 -12.803
  540   1HB   ASP  69           HB2      ASP  69   3.654  -7.195 -11.492
  541   2HB   ASP  69           HB1      ASP  69   4.314  -8.782 -11.889
  542    H    MET  70           HN       MET  70   2.600  -5.658 -12.431
  543    HA   MET  70           HA       MET  70   2.637  -4.429 -15.142
  544   1HB   MET  70           HB2      MET  70   0.249  -4.790 -14.351
  545   2HB   MET  70           HB1      MET  70   0.597  -3.673 -13.032
  546   1HG   MET  70           HG2      MET  70   0.765  -1.842 -14.439
  547   2HG   MET  70           HG1      MET  70   1.264  -2.817 -15.821
  548   1HE   MET  70           HE1      MET  70  -0.038  -1.162 -16.913
  549   2HE   MET  70           HE3      MET  70  -0.690  -2.483 -17.892
  550   3HE   MET  70           HE2      MET  70  -1.765  -1.245 -17.247
  551    H    CYS  71           HN       CYS  71   1.965  -3.182 -11.866
  552    HA   CYS  71           HA       CYS  71   4.400  -1.473 -12.151
  553   1HB   CYS  71           HB2      CYS  71   1.606  -0.821 -11.499
  554   2HB   CYS  71           HB1      CYS  71   2.775  -0.119 -10.374
  555   1H    CYS  72           HN3      CYS  72   3.910   4.268 -11.932
  556   2H    CYS  72           HN2      CYS  72   2.479   3.360 -12.064
  557   3H    CYS  72           HN1      CYS  72   2.425   4.953 -11.478
  558    HA   CYS  72           HA       CYS  72   2.215   3.484  -9.622
  559   1HB   CYS  72           HB2      CYS  72   4.648   2.227  -9.380
  560   2HB   CYS  72           HB1      CYS  72   3.131   1.463  -9.815
  561    H    LEU  73           HN       LEU  73   5.535   4.320 -10.656
  562    HA   LEU  73           HA       LEU  73   6.399   5.212  -8.128
  563   1HB   LEU  73           HB2      LEU  73   8.165   6.445  -9.375
  564   2HB   LEU  73           HB1      LEU  73   7.960   4.797  -9.974
  565    HG   LEU  73           HG       LEU  73   6.126   6.268 -11.462
  566   1HD1  LEU  73           HD11     LEU  73   8.556   7.892 -10.786
  567   2HD1  LEU  73           HD13     LEU  73   7.880   8.003 -12.411
  568   3HD1  LEU  73           HD12     LEU  73   6.888   8.420 -11.014
  569   1HD2  LEU  73           HD21     LEU  73   8.902   5.207 -11.963
  570   2HD2  LEU  73           HD23     LEU  73   7.357   4.565 -12.521
  571   3HD2  LEU  73           HD22     LEU  73   8.017   6.031 -13.246
  572    H    GLY  74           HN       GLY  74   7.105   7.696  -7.864
  573   1HA   GLY  74           HA2      GLY  74   5.402   9.706  -9.015
  574   2HA   GLY  74           HA1      GLY  74   4.772   9.225  -7.442
  575   1HN   DAR  75           HN       ARG  75   5.851  11.828  -8.106
  576    HA   DAR  75           HA       ARG  75   7.296  13.423  -7.174
  577   1HB   DAR  75           HB1      ARG  75   8.949  11.885  -8.435
  578   2HB   DAR  75           HB2      ARG  75   9.318  11.206  -6.849
  579   1HG   DAR  75           HG1      ARG  75   9.292  14.175  -7.046
  580   2HG   DAR  75           HG2      ARG  75  10.618  13.349  -7.864
  581   1HD   DAR  75           HD1      ARG  75  10.360  12.059  -5.373
  582   2HD   DAR  75           HD2      ARG  75  10.205  13.780  -5.030
  583    HNE  DAR  75           HE       ARG  75  12.508  13.897  -5.303
  584   1HH1  DAR  75           HH11     ARG  75  14.407  13.685  -6.481
  585   2HH1  DAR  75           HH12     ARG  75  14.477  12.564  -7.800
  586   1HH2  DAR  75           HH21     ARG  75  11.217  11.476  -7.419
  587   2HH2  DAR  75           HH22     ARG  75  12.675  11.330  -8.333
   
  No H/Q in entry =         587
  Start of MODEL   18
    1   1H    MET   1           HN3      MET   1  16.518  -6.979   0.611
    2   2H    MET   1           HN2      MET   1  16.130  -6.143   2.038
    3   3H    MET   1           HN1      MET   1  15.649  -7.760   1.841
    4    HA   MET   1           HA       MET   1  13.716  -6.531   1.446
    5   1HB   MET   1           HB2      MET   1  15.647  -4.704   0.051
    6   2HB   MET   1           HB1      MET   1  13.952  -4.696  -0.438
    7   1HG   MET   1           HG2      MET   1  13.301  -4.315   1.937
    8   2HG   MET   1           HG1      MET   1  15.009  -4.231   2.367
    9   1HE   MET   1           HE1      MET   1  14.815  -2.145   3.449
   10   2HE   MET   1           HE3      MET   1  16.271  -1.971   2.461
   11   3HE   MET   1           HE2      MET   1  15.139  -0.630   2.612
   12    H    LEU   2           HN       LEU   2  14.314  -8.933   0.481
   13    HA   LEU   2           HA       LEU   2  13.394  -8.782  -2.339
   14   1HB   LEU   2           HB2      LEU   2  16.037  -9.252  -1.827
   15   2HB   LEU   2           HB1      LEU   2  15.397 -10.895  -1.825
   16    HG   LEU   2           HG       LEU   2  14.172 -10.133  -4.016
   17   1HD1  LEU   2           HD12     LEU   2  16.064  -7.931  -3.442
   18   2HD1  LEU   2           HD11     LEU   2  16.107  -8.541  -5.096
   19   3HD1  LEU   2           HD13     LEU   2  14.597  -7.929  -4.421
   20   1HD2  LEU   2           HD23     LEU   2  16.696 -11.352  -3.438
   21   2HD2  LEU   2           HD22     LEU   2  15.659 -11.612  -4.840
   22   3HD2  LEU   2           HD21     LEU   2  16.892 -10.351  -4.877
   23    H    GLN   3           HN       GLN   3  12.516  -9.699   0.529
   24    HA   GLN   3           HA       GLN   3  11.676 -12.457  -0.262
   25   1HB   GLN   3           HB2      GLN   3  11.313 -12.856   2.145
   26   2HB   GLN   3           HB1      GLN   3  12.971 -12.339   1.838
   27   1HG   GLN   3           HG2      GLN   3  12.336 -10.012   2.428
   28   2HG   GLN   3           HG1      GLN   3  10.704 -10.571   2.800
   29   1HE2  GLN   3           HE22     GLN   3  13.752 -11.339   5.414
   30   2HE2  GLN   3           HE21     GLN   3  14.088 -10.719   3.871
   31    H    LYS   4           HN       LYS   4  10.210 -10.540  -1.485
   32    HA   LYS   4           HA       LYS   4   7.572 -10.902  -0.254
   33   1HB   LYS   4           HB2      LYS   4   7.407  -8.202  -0.806
   34   2HB   LYS   4           HB1      LYS   4   7.588  -8.893   0.805
   35   1HG   LYS   4           HG2      LYS   4  10.069  -8.492  -0.809
   36   2HG   LYS   4           HG1      LYS   4   9.295  -7.060  -0.128
   37   1HD   LYS   4           HD2      LYS   4   9.333  -9.122   1.867
   38   2HD   LYS   4           HD1      LYS   4  10.959  -8.937   1.211
   39   1HE   LYS   4           HE2      LYS   4  10.310  -6.338   1.458
   40   2HE   LYS   4           HE1      LYS   4   9.305  -6.999   2.748
   41   1HZ   LYS   4           HZ1      LYS   4  11.387  -8.222   3.466
   42   2HZ   LYS   4           HZ3      LYS   4  12.240  -7.178   2.436
   43   3HZ   LYS   4           HZ2      LYS   4  11.353  -6.545   3.740
   44    H    LYS   5           HN       LYS   5   5.868  -9.810  -1.765
   45    HA   LYS   5           HA       LYS   5   6.744 -10.353  -4.560
   46   1HB   LYS   5           HB2      LYS   5   3.868  -9.931  -3.861
   47   2HB   LYS   5           HB1      LYS   5   4.588 -11.046  -5.021
   48   1HG   LYS   5           HG2      LYS   5   4.049 -12.575  -3.394
   49   2HG   LYS   5           HG1      LYS   5   5.618 -12.077  -2.760
   50   1HD   LYS   5           HD2      LYS   5   4.640 -11.281  -0.898
   51   2HD   LYS   5           HD1      LYS   5   3.632 -10.207  -1.869
   52   1HE   LYS   5           HE2      LYS   5   1.998 -12.001  -2.208
   53   2HE   LYS   5           HE1      LYS   5   3.017 -13.124  -1.309
   54   1HZ   LYS   5           HZ2      LYS   5   2.844 -11.273   0.503
   55   2HZ   LYS   5           HZ1      LYS   5   1.419 -10.871  -0.331
   56   3HZ   LYS   5           HZ3      LYS   5   1.609 -12.424   0.324
   57    H    ILE   6           HN       ILE   6   4.200  -8.220  -3.222
   58    HA   ILE   6           HA       ILE   6   5.137  -6.121  -5.109
   59    HB   ILE   6           HB       ILE   6   2.522  -6.858  -3.898
   60   1HG1  ILE   6           HG12     ILE   6   3.359  -7.125  -6.336
   61   2HG1  ILE   6           HG11     ILE   6   1.735  -6.483  -6.090
   62   1HG2  ILE   6           HG23     ILE   6   2.850  -4.600  -2.950
   63   2HG2  ILE   6           HG22     ILE   6   3.201  -3.975  -4.561
   64   3HG2  ILE   6           HG21     ILE   6   1.592  -4.593  -4.187
   65   1HD1  ILE   6           HD13     ILE   6   3.876  -4.442  -6.126
   66   2HD1  ILE   6           HD12     ILE   6   3.631  -5.284  -7.656
   67   3HD1  ILE   6           HD11     ILE   6   2.291  -4.424  -6.899
   68    H    GLU   7           HN       GLU   7   5.508  -7.004  -1.907
   69    HA   GLU   7           HA       GLU   7   5.225  -4.611  -0.438
   70   1HB   GLU   7           HB2      GLU   7   6.146  -7.115   0.136
   71   2HB   GLU   7           HB1      GLU   7   7.649  -6.193   0.166
   72   1HG   GLU   7           HG2      GLU   7   7.110  -5.306   2.160
   73   2HG   GLU   7           HG1      GLU   7   5.590  -4.693   1.507
   74    H    GLU   8           HN       GLU   8   8.395  -5.805  -1.616
   75    HA   GLU   8           HA       GLU   8   9.578  -3.184  -1.436
   76   1HB   GLU   8           HB2      GLU   8  11.484  -4.169  -2.600
   77   2HB   GLU   8           HB1      GLU   8  10.876  -5.344  -1.433
   78   1HG   GLU   8           HG2      GLU   8   9.668  -6.529  -3.184
   79   2HG   GLU   8           HG1      GLU   8  10.127  -5.306  -4.371
   80    H    ILE   9           HN       ILE   9   7.808  -4.872  -3.975
   81    HA   ILE   9           HA       ILE   9   8.545  -3.270  -6.198
   82    HB   ILE   9           HB       ILE   9   5.853  -4.440  -5.418
   83   1HG1  ILE   9           HG12     ILE   9   8.033  -5.250  -7.368
   84   2HG1  ILE   9           HG11     ILE   9   7.540  -6.116  -5.912
   85   1HG2  ILE   9           HG21     ILE   9   6.717  -3.059  -7.974
   86   2HG2  ILE   9           HG23     ILE   9   5.248  -4.022  -7.820
   87   3HG2  ILE   9           HG22     ILE   9   5.438  -2.545  -6.876
   88   1HD1  ILE   9           HD12     ILE   9   5.200  -6.233  -6.996
   89   2HD1  ILE   9           HD11     ILE   9   6.013  -5.776  -8.494
   90   3HD1  ILE   9           HD13     ILE   9   6.456  -7.271  -7.671
   91    H    ALA  10           HN       ALA  10   6.565  -2.712  -3.397
   92    HA   ALA  10           HA       ALA  10   5.690  -0.035  -4.247
   93   1HB   ALA  10           HB1      ALA  10   4.301  -1.535  -2.756
   94   2HB   ALA  10           HB3      ALA  10   5.530  -1.339  -1.508
   95   3HB   ALA  10           HB2      ALA  10   4.611   0.058  -2.067
   96    H    ALA  11           HN       ALA  11   8.138  -1.594  -2.290
   97    HA   ALA  11           HA       ALA  11   9.155   0.552  -0.808
   98   1HB   ALA  11           HB3      ALA  11  10.592  -1.751  -2.125
   99   2HB   ALA  11           HB2      ALA  11  11.381  -0.624  -1.021
  100   3HB   ALA  11           HB1      ALA  11  10.057  -1.639  -0.448
  101    H    LYS  12           HN       LYS  12   9.475  -0.201  -4.217
  102    HA   LYS  12           HA       LYS  12  11.559   1.808  -4.680
  103   1HB   LYS  12           HB2      LYS  12  10.464  -0.409  -6.102
  104   2HB   LYS  12           HB1      LYS  12  10.272   1.026  -7.110
  105   1HG   LYS  12           HG2      LYS  12  12.431   0.297  -7.670
  106   2HG   LYS  12           HG1      LYS  12  12.747   1.526  -6.445
  107   1HD   LYS  12           HD2      LYS  12  14.051  -0.231  -5.652
  108   2HD   LYS  12           HD1      LYS  12  12.542  -0.513  -4.783
  109   1HE   LYS  12           HE2      LYS  12  11.889  -2.254  -6.248
  110   2HE   LYS  12           HE1      LYS  12  13.064  -1.775  -7.474
  111   1HZ   LYS  12           HZ3      LYS  12  13.745  -2.835  -4.785
  112   2HZ   LYS  12           HZ2      LYS  12  13.763  -3.743  -6.221
  113   3HZ   LYS  12           HZ1      LYS  12  14.843  -2.446  -6.019
  114    H    TYR  13           HN       TYR  13   8.073   1.737  -4.713
  115    HA   TYR  13           HA       TYR  13   7.589   3.908  -6.497
  116   1HB   TYR  13           HB2      TYR  13   6.065   2.843  -4.101
  117   2HB   TYR  13           HB1      TYR  13   5.495   4.253  -4.975
  118    HD1  TYR  13           HD1      TYR  13   7.177   1.191  -6.200
  119    HD2  TYR  13           HD2      TYR  13   3.552   3.530  -6.264
  120    HE1  TYR  13           HE1      TYR  13   6.242  -0.309  -7.918
  121    HE2  TYR  13           HE2      TYR  13   2.656   2.038  -7.991
  122    HH   TYR  13           HH       TYR  13   3.198  -0.619  -8.600
  123    H    LYS  14           HN       LYS  14   9.164   5.463  -6.204
  124    HA   LYS  14           HA       LYS  14  10.627   6.780  -4.687
  125   1HB   LYS  14           HB2      LYS  14   8.505   7.888  -6.232
  126   2HB   LYS  14           HB1      LYS  14   8.678   8.854  -4.766
  127   1HG   LYS  14           HG2      LYS  14  10.160   9.692  -6.549
  128   2HG   LYS  14           HG1      LYS  14  11.102   9.064  -5.197
  129   1HD   LYS  14           HD2      LYS  14  11.330   6.896  -6.413
  130   2HD   LYS  14           HD1      LYS  14  10.485   7.612  -7.786
  131   1HE   LYS  14           HE2      LYS  14  12.437   8.457  -8.515
  132   2HE   LYS  14           HE1      LYS  14  12.540   9.426  -7.045
  133   1HZ   LYS  14           HZ1      LYS  14  13.390   7.254  -6.001
  134   2HZ   LYS  14           HZ3      LYS  14  13.696   6.773  -7.599
  135   3HZ   LYS  14           HZ2      LYS  14  14.451   8.160  -6.971
  136    H    HIS  15           HN       HIS  15  10.958   6.549  -2.553
  137    HA   HIS  15           HA       HIS  15   9.113   6.151  -0.511
  138   1HB   HIS  15           HB2      HIS  15  10.825   7.017   1.039
  139   2HB   HIS  15           HB1      HIS  15  11.553   5.982  -0.187
  140    HD1  HIS  15           HD1      HIS  15  12.982   8.407   1.373
  141    HD2  HIS  15           HD2      HIS  15  11.543   8.478  -2.539
  142    HE1  HIS  15           HE1      HIS  15  14.254  10.234   0.174
  143    H    SER  16           HN       SER  16   9.832   9.144  -2.164
  144    HA   SER  16           HA       SER  16   9.082  11.137  -0.412
  145   1HB   SER  16           HB2      SER  16   9.602  11.714  -2.691
  146   2HB   SER  16           HB1      SER  16   8.247  10.769  -3.299
  147    HG   SER  16           HG       SER  16   7.077  12.481  -3.029
  148    H    VAL  17           HN       VAL  17   6.578   9.926  -2.617
  149    HA   VAL  17           HA       VAL  17   4.745   9.610  -0.291
  150    HB   VAL  17           HB       VAL  17   4.265  11.261  -2.785
  151   1HG1  VAL  17           HG13     VAL  17   2.335   9.939  -0.895
  152   2HG1  VAL  17           HG12     VAL  17   1.918  11.479  -1.644
  153   3HG1  VAL  17           HG11     VAL  17   2.253  10.072  -2.652
  154   1HG2  VAL  17           HG23     VAL  17   4.784  11.777   0.047
  155   2HG2  VAL  17           HG22     VAL  17   4.831  12.892  -1.319
  156   3HG2  VAL  17           HG21     VAL  17   3.301  12.553  -0.510
  157    H    VAL  18           HN       VAL  18   5.151   9.187  -3.804
  158    HA   VAL  18           HA       VAL  18   3.203   7.319  -4.405
  159    HB   VAL  18           HB       VAL  18   4.819   8.148  -6.056
  160   1HG1  VAL  18           HG13     VAL  18   6.673   6.734  -4.205
  161   2HG1  VAL  18           HG12     VAL  18   7.086   6.750  -5.916
  162   3HG1  VAL  18           HG11     VAL  18   6.887   8.270  -5.039
  163   1HG2  VAL  18           HG23     VAL  18   4.142   5.334  -5.689
  164   2HG2  VAL  18           HG22     VAL  18   4.157   6.292  -7.169
  165   3HG2  VAL  18           HG21     VAL  18   5.639   5.527  -6.598
  166    H    LYS  19           HN       LYS  19   5.978   6.855  -2.319
  167    HA   LYS  19           HA       LYS  19   5.977   3.969  -2.398
  168   1HB   LYS  19           HB2      LYS  19   7.964   4.787  -1.510
  169   2HB   LYS  19           HB1      LYS  19   7.156   6.073  -0.621
  170   1HG   LYS  19           HG2      LYS  19   6.887   4.764   1.221
  171   2HG   LYS  19           HG1      LYS  19   6.396   3.367   0.263
  172   1HD   LYS  19           HD2      LYS  19   8.470   2.484   0.314
  173   2HD   LYS  19           HD1      LYS  19   9.212   4.021  -0.130
  174   1HE   LYS  19           HE2      LYS  19   9.310   4.755   2.118
  175   2HE   LYS  19           HE1      LYS  19   8.151   3.538   2.651
  176   1HZ   LYS  19           HZ1      LYS  19  10.680   2.677   1.430
  177   2HZ   LYS  19           HZ3      LYS  19  10.679   3.191   3.046
  178   3HZ   LYS  19           HZ2      LYS  19   9.707   1.880   2.573
  179    H    LYS  20           HN       LYS  20   5.286   5.744   0.600
  180    HA   LYS  20           HA       LYS  20   3.659   3.854   1.792
  181   1HB   LYS  20           HB2      LYS  20   4.331   5.902   2.957
  182   2HB   LYS  20           HB1      LYS  20   3.296   6.865   1.901
  183   1HG   LYS  20           HG2      LYS  20   1.307   5.807   2.766
  184   2HG   LYS  20           HG1      LYS  20   2.265   4.633   3.669
  185   1HD   LYS  20           HD2      LYS  20   1.557   6.325   5.232
  186   2HD   LYS  20           HD1      LYS  20   3.278   6.577   4.936
  187   1HE   LYS  20           HE2      LYS  20   2.797   8.693   4.336
  188   2HE   LYS  20           HE1      LYS  20   1.945   8.045   2.935
  189   1HZ   LYS  20           HZ3      LYS  20   0.391   7.830   5.314
  190   2HZ   LYS  20           HZ2      LYS  20   0.837   9.441   5.013
  191   3HZ   LYS  20           HZ1      LYS  20  -0.004   8.555   3.833
  192    H    CYS  21           HN       CYS  21   2.843   5.847  -0.930
  193    HA   CYS  21           HA       CYS  21  -0.050   5.573  -0.771
  194   1HB   CYS  21           HB2      CYS  21   1.758   5.956  -3.157
  195   2HB   CYS  21           HB1      CYS  21   0.011   6.123  -3.097
  196    H    CYS  22           HN       CYS  22   2.187   4.137  -3.160
  197    HA   CYS  22           HA       CYS  22   0.548   2.175  -4.146
  198   1HB   CYS  22           HB2      CYS  22   2.460   2.240  -5.275
  199   2HB   CYS  22           HB1      CYS  22   3.464   2.475  -3.856
  200    H    TYR  23           HN       TYR  23   2.473   2.092  -1.163
  201    HA   TYR  23           HA       TYR  23   1.866  -0.596  -0.419
  202   1HB   TYR  23           HB2      TYR  23   2.565   1.889   1.140
  203   2HB   TYR  23           HB1      TYR  23   2.078   0.421   1.987
  204    HD1  TYR  23           HD2      TYR  23   4.532   1.834  -0.393
  205    HD2  TYR  23           HD1      TYR  23   3.551  -1.473   2.151
  206    HE1  TYR  23           HE2      TYR  23   6.820   0.933  -0.697
  207    HE2  TYR  23           HE1      TYR  23   5.840  -2.387   1.843
  208    HH   TYR  23           HH       TYR  23   8.364  -0.712   0.838
  209    H    ASP  24           HN       ASP  24   0.285   2.502   0.280
  210    HA   ASP  24           HA       ASP  24  -1.927   1.681   1.760
  211   1HB   ASP  24           HB2      ASP  24  -1.551   3.869  -0.316
  212   2HB   ASP  24           HB1      ASP  24  -3.150   3.559   0.383
  213    H    GLY  25           HN       GLY  25  -1.495   1.604  -1.749
  214   1HA   GLY  25           HA2      GLY  25  -4.049   0.724  -2.534
  215   2HA   GLY  25           HA1      GLY  25  -2.553   0.367  -3.400
  216    H    ALA  26           HN       ALA  26  -1.143  -1.356  -2.150
  217    HA   ALA  26           HA       ALA  26  -2.925  -3.702  -1.866
  218   1HB   ALA  26           HB3      ALA  26  -0.321  -3.307  -2.830
  219   2HB   ALA  26           HB2      ALA  26  -0.121  -4.238  -1.345
  220   3HB   ALA  26           HB1      ALA  26  -1.151  -4.852  -2.637
  221    H    SER  27           HN       SER  27  -2.335  -1.433   0.283
  222    HA   SER  27           HA       SER  27  -1.542  -3.223   2.502
  223   1HB   SER  27           HB2      SER  27  -1.582  -0.282   2.138
  224   2HB   SER  27           HB1      SER  27  -1.572  -0.954   3.752
  225    HG   SER  27           HG       SER  27   0.227  -1.953   1.857
  226    H    VAL  28           HN       VAL  28  -3.967  -0.676   1.916
  227    HA   VAL  28           HA       VAL  28  -5.526  -1.327   4.221
  228    HB   VAL  28           HB       VAL  28  -6.970  -0.258   1.841
  229   1HG1  VAL  28           HG13     VAL  28  -6.804   0.190   4.804
  230   2HG1  VAL  28           HG12     VAL  28  -7.418   1.490   3.783
  231   3HG1  VAL  28           HG11     VAL  28  -8.226  -0.075   3.797
  232   1HG2  VAL  28           HG23     VAL  28  -4.424   0.846   2.879
  233   2HG2  VAL  28           HG22     VAL  28  -5.220   1.122   1.331
  234   3HG2  VAL  28           HG21     VAL  28  -5.747   2.005   2.762
  235    H    ASN  29           HN       ASN  29  -8.079  -1.880   3.597
  236    HA   ASN  29           HA       ASN  29  -8.310  -4.608   3.391
  237   1HB   ASN  29           HB2      ASN  29 -10.099  -2.435   3.264
  238   2HB   ASN  29           HB1      ASN  29 -10.465  -3.435   1.859
  239   1HD2  ASN  29           HD22     ASN  29 -12.006  -5.941   3.784
  240   2HD2  ASN  29           HD21     ASN  29 -11.715  -5.280   2.248
  241    H    ASN  30           HN       ASN  30  -9.201  -5.939   1.538
  242    HA   ASN  30           HA       ASN  30  -7.437  -6.244  -0.555
  243   1HB   ASN  30           HB2      ASN  30 -10.411  -6.747  -0.431
  244   2HB   ASN  30           HB1      ASN  30  -9.471  -7.154  -1.867
  245   1HD2  ASN  30           HD22     ASN  30  -7.428  -9.551   0.078
  246   2HD2  ASN  30           HD21     ASN  30  -7.145  -8.222  -0.940
  247    H    ASP  31           HN       ASP  31  -9.926  -3.793  -0.262
  248    HA   ASP  31           HA       ASP  31  -8.749  -2.347  -2.511
  249   1HB   ASP  31           HB2      ASP  31 -11.105  -4.002  -2.896
  250   2HB   ASP  31           HB1      ASP  31 -11.456  -2.306  -3.233
  251    H    GLU  32           HN       GLU  32  -9.373  -1.961   0.407
  252    HA   GLU  32           HA       GLU  32 -11.545  -0.236   0.846
  253   1HB   GLU  32           HB2      GLU  32 -10.379  -0.744   2.793
  254   2HB   GLU  32           HB1      GLU  32  -8.808  -0.446   2.058
  255   1HG   GLU  32           HG2      GLU  32  -8.880   1.791   2.522
  256   2HG   GLU  32           HG1      GLU  32 -10.611   1.902   2.201
  257    H    THR  33           HN       THR  33  -8.359   1.285   0.819
  258    HA   THR  33           HA       THR  33  -9.377   3.669  -0.440
  259    HB   THR  33           HB       THR  33  -7.023   4.383  -0.423
  260    HG1  THR  33           HG1      THR  33  -6.641   1.640   0.073
  261   1HG2  THR  33           HG22     THR  33  -8.531   4.039   1.729
  262   2HG2  THR  33           HG21     THR  33  -7.294   2.844   2.121
  263   3HG2  THR  33           HG23     THR  33  -6.843   4.531   1.877
  264    H    CYS  34           HN       CYS  34  -7.611   0.830  -1.544
  265    HA   CYS  34           HA       CYS  34  -6.711   1.413  -4.088
  266   1HB   CYS  34           HB2      CYS  34  -7.015  -0.869  -2.852
  267   2HB   CYS  34           HB1      CYS  34  -8.569  -0.924  -3.683
  268    H    GLU  35           HN       GLU  35 -10.072   1.163  -3.044
  269    HA   GLU  35           HA       GLU  35 -11.058   1.554  -5.802
  270   1HB   GLU  35           HB2      GLU  35 -12.105   0.033  -3.958
  271   2HB   GLU  35           HB1      GLU  35 -12.823   1.534  -3.371
  272   1HG   GLU  35           HG2      GLU  35 -13.830   1.942  -5.571
  273   2HG   GLU  35           HG1      GLU  35 -13.075   0.478  -6.204
  274    H    GLN  36           HN       GLN  36 -12.025   3.177  -2.752
  275    HA   GLN  36           HA       GLN  36 -13.209   5.422  -3.825
  276   1HB   GLN  36           HB2      GLN  36 -11.361   5.319  -1.425
  277   2HB   GLN  36           HB1      GLN  36 -12.443   6.663  -1.794
  278   1HG   GLN  36           HG2      GLN  36 -14.126   4.485  -1.977
  279   2HG   GLN  36           HG1      GLN  36 -13.060   4.030  -0.647
  280   1HE2  GLN  36           HE22     GLN  36 -15.979   6.303   0.438
  281   2HE2  GLN  36           HE21     GLN  36 -15.972   4.995  -0.644
  282    H    ARG  37           HN       ARG  37  -9.826   4.658  -3.886
  283    HA   ARG  37           HA       ARG  37  -9.166   7.366  -4.886
  284   1HB   ARG  37           HB2      ARG  37  -7.490   5.049  -3.934
  285   2HB   ARG  37           HB1      ARG  37  -6.784   6.463  -4.693
  286   1HG   ARG  37           HG2      ARG  37  -8.284   6.279  -2.079
  287   2HG   ARG  37           HG1      ARG  37  -6.669   6.920  -2.368
  288   1HD   ARG  37           HD2      ARG  37  -8.101   8.569  -3.966
  289   2HD   ARG  37           HD1      ARG  37  -9.314   8.216  -2.738
  290    HE   ARG  37           HE       ARG  37  -7.075   8.843  -1.255
  291   1HH1  ARG  37           HH21     ARG  37  -8.800  10.309  -3.864
  292   2HH1  ARG  37           HH22     ARG  37  -8.440  11.926  -3.363
  293   1HH2  ARG  37           HH12     ARG  37  -6.600  10.949  -0.594
  294   2HH2  ARG  37           HH11     ARG  37  -7.196  12.288  -1.515
  295    H    ALA  38           HN       ALA  38  -8.868   3.906  -5.864
  296    HA   ALA  38           HA       ALA  38  -7.815   4.707  -8.474
  297   1HB   ALA  38           HB2      ALA  38  -7.368   2.483  -7.261
  298   2HB   ALA  38           HB1      ALA  38  -8.972   2.000  -7.813
  299   3HB   ALA  38           HB3      ALA  38  -7.718   2.397  -8.987
  300    H    ALA  39           HN       ALA  39 -10.779   5.168  -7.249
  301    HA   ALA  39           HA       ALA  39 -12.036   4.859  -9.933
  302   1HB   ALA  39           HB1      ALA  39 -12.733   2.971  -8.417
  303   2HB   ALA  39           HB3      ALA  39 -13.441   4.173  -7.338
  304   3HB   ALA  39           HB2      ALA  39 -14.072   3.975  -8.973
  305    H    ARG  40           HN       ARG  40 -12.149   6.382  -6.723
  306    HA   ARG  40           HA       ARG  40 -13.631   8.657  -7.985
  307   1HB   ARG  40           HB2      ARG  40 -13.888   7.310  -5.349
  308   2HB   ARG  40           HB1      ARG  40 -14.015   9.070  -5.335
  309   1HG   ARG  40           HG2      ARG  40 -15.515   8.046  -7.562
  310   2HG   ARG  40           HG1      ARG  40 -16.009   7.196  -6.097
  311   1HD   ARG  40           HD2      ARG  40 -15.783  10.211  -6.279
  312   2HD   ARG  40           HD1      ARG  40 -17.288   9.331  -6.548
  313    HE   ARG  40           HE       ARG  40 -16.425   8.414  -4.083
  314   1HH1  ARG  40           HH21     ARG  40 -16.984  11.496  -5.541
  315   2HH1  ARG  40           HH22     ARG  40 -17.436  12.261  -4.055
  316   1HH2  ARG  40           HH12     ARG  40 -17.013   9.401  -2.141
  317   2HH2  ARG  40           HH11     ARG  40 -17.454  11.076  -2.133
  318    H    ILE  41           HN       ILE  41 -11.782   9.843  -8.606
  319    HA   ILE  41           HA       ILE  41  -9.994  10.692  -6.361
  320    HB   ILE  41           HB       ILE  41  -9.489  10.336  -9.319
  321   1HG1  ILE  41           HG12     ILE  41  -7.564   9.511  -7.225
  322   2HG1  ILE  41           HG11     ILE  41  -9.110   8.663  -7.212
  323   1HG2  ILE  41           HG21     ILE  41  -7.893  11.936  -7.307
  324   2HG2  ILE  41           HG23     ILE  41  -7.229  11.359  -8.836
  325   3HG2  ILE  41           HG22     ILE  41  -8.569  12.505  -8.833
  326   1HD1  ILE  41           HD12     ILE  41  -7.463   9.022  -9.725
  327   2HD1  ILE  41           HD11     ILE  41  -7.312   7.613  -8.677
  328   3HD1  ILE  41           HD13     ILE  41  -8.842   7.951  -9.486
  329    H    SER  42           HN       SER  42 -10.837  12.631  -5.656
  330    HA   SER  42           HA       SER  42 -12.374  14.459  -7.155
  331   1HB   SER  42           HB2      SER  42 -11.088  16.129  -5.438
  332   2HB   SER  42           HB1      SER  42 -12.437  15.101  -4.962
  333    HG   SER  42           HG       SER  42  -9.695  14.820  -4.499
  334    H    LEU  43           HN       LEU  43  -8.912  14.899  -6.321
  335    HA   LEU  43           HA       LEU  43  -8.607  16.274  -8.961
  336   1HB   LEU  43           HB2      LEU  43  -6.579  17.359  -7.617
  337   2HB   LEU  43           HB1      LEU  43  -8.204  18.038  -7.523
  338    HG   LEU  43           HG       LEU  43  -8.597  16.579  -5.494
  339   1HD1  LEU  43           HD13     LEU  43  -6.006  15.601  -6.315
  340   2HD1  LEU  43           HD12     LEU  43  -5.912  16.241  -4.675
  341   3HD1  LEU  43           HD11     LEU  43  -7.077  14.976  -5.062
  342   1HD2  LEU  43           HD22     LEU  43  -7.441  19.060  -5.716
  343   2HD2  LEU  43           HD21     LEU  43  -7.922  18.319  -4.189
  344   3HD2  LEU  43           HD23     LEU  43  -6.251  18.203  -4.738
  345    H    GLY  44           HN       GLY  44  -7.419  13.854  -6.772
  346   1HA   GLY  44           HA2      GLY  44  -6.020  12.026  -7.415
  347   2HA   GLY  44           HA1      GLY  44  -5.559  12.918  -8.863
  348    HA   PRO  45           HA       PRO  45  -3.033  14.708  -4.970
  349   1HB   PRO  45           HB2      PRO  45  -2.733  12.369  -3.343
  350   2HB   PRO  45           HB1      PRO  45  -3.479  13.910  -2.905
  351   1HG   PRO  45           HG2      PRO  45  -4.757  11.388  -3.416
  352   2HG   PRO  45           HG1      PRO  45  -5.491  12.909  -2.900
  353   1HD   PRO  45           HD2      PRO  45  -5.760  11.656  -5.419
  354   2HD   PRO  45           HD1      PRO  45  -6.332  13.264  -4.961
  355    H    ARG  46           HN       ARG  46  -2.545  11.170  -4.969
  356    HA   ARG  46           HA       ARG  46  -0.610  11.077  -7.046
  357   1HB   ARG  46           HB2      ARG  46   0.506  12.575  -5.203
  358   2HB   ARG  46           HB1      ARG  46   0.780  11.039  -4.381
  359   1HG   ARG  46           HG2      ARG  46   2.685  11.027  -5.646
  360   2HG   ARG  46           HG1      ARG  46   1.600  10.381  -6.878
  361   1HD   ARG  46           HD2      ARG  46   2.527  12.139  -8.062
  362   2HD   ARG  46           HD1      ARG  46   1.150  12.965  -7.332
  363    HE   ARG  46           HE       ARG  46   3.169  13.278  -5.463
  364   1HH1  ARG  46           HH21     ARG  46   2.791  13.860  -8.847
  365   2HH1  ARG  46           HH22     ARG  46   3.875  15.211  -8.867
  366   1HH2  ARG  46           HH12     ARG  46   4.583  15.039  -5.479
  367   2HH2  ARG  46           HH11     ARG  46   4.886  15.878  -6.964
  368    H    CYS  47           HN       CYS  47  -1.468   9.810  -3.820
  369    HA   CYS  47           HA       CYS  47  -0.358   7.232  -4.248
  370   1HB   CYS  47           HB2      CYS  47  -2.799   7.749  -2.531
  371   2HB   CYS  47           HB1      CYS  47  -1.651   6.448  -2.359
  372    H    ILE  48           HN       ILE  48  -3.387   8.632  -5.344
  373    HA   ILE  48           HA       ILE  48  -4.569   6.096  -5.927
  374    HB   ILE  48           HB       ILE  48  -6.185   7.284  -7.228
  375   1HG1  ILE  48           HG12     ILE  48  -4.485   8.613  -8.575
  376   2HG1  ILE  48           HG11     ILE  48  -5.924   9.500  -8.104
  377   1HG2  ILE  48           HG23     ILE  48  -5.402   8.153  -4.645
  378   2HG2  ILE  48           HG22     ILE  48  -5.919   9.578  -5.548
  379   3HG2  ILE  48           HG21     ILE  48  -7.006   8.203  -5.372
  380   1HD1  ILE  48           HD12     ILE  48  -4.613  10.296  -6.065
  381   2HD1  ILE  48           HD11     ILE  48  -3.175   9.661  -6.862
  382   3HD1  ILE  48           HD13     ILE  48  -4.105  10.951  -7.620
  383    H    LYS  49           HN       LYS  49  -2.711   8.343  -8.057
  384    HA   LYS  49           HA       LYS  49  -2.767   6.578 -10.309
  385   1HB   LYS  49           HB2      LYS  49  -1.238   8.974  -9.490
  386   2HB   LYS  49           HB1      LYS  49  -0.407   7.912 -10.628
  387   1HG   LYS  49           HG2      LYS  49  -2.322   7.994 -12.151
  388   2HG   LYS  49           HG1      LYS  49  -3.216   8.991 -11.002
  389   1HD   LYS  49           HD2      LYS  49  -1.448  10.733 -11.177
  390   2HD   LYS  49           HD1      LYS  49  -0.628   9.748 -12.390
  391   1HE   LYS  49           HE2      LYS  49  -1.950  10.627 -13.983
  392   2HE   LYS  49           HE1      LYS  49  -3.364   9.963 -13.165
  393   1HZ   LYS  49           HZ2      LYS  49  -3.141  11.980 -11.645
  394   2HZ   LYS  49           HZ1      LYS  49  -2.136  12.629 -12.850
  395   3HZ   LYS  49           HZ3      LYS  49  -3.746  12.240 -13.210
  396    H    ALA  50           HN       ALA  50  -0.012   7.221  -8.105
  397    HA   ALA  50           HA       ALA  50   1.644   5.095  -8.933
  398   1HB   ALA  50           HB3      ALA  50   1.227   6.108  -6.108
  399   2HB   ALA  50           HB2      ALA  50   2.590   5.133  -6.652
  400   3HB   ALA  50           HB1      ALA  50   2.375   6.769  -7.273
  401    H    PHE  51           HN       PHE  51  -0.525   5.126  -6.184
  402    HA   PHE  51           HA       PHE  51  -0.226   2.334  -5.807
  403   1HB   PHE  51           HB2      PHE  51  -1.065   2.800  -3.833
  404   2HB   PHE  51           HB1      PHE  51  -1.079   4.470  -4.286
  405    HD1  PHE  51           HD1      PHE  51  -3.469   4.212  -6.278
  406    HD2  PHE  51           HD2      PHE  51  -2.824   2.850  -2.291
  407    HE1  PHE  51           HE1      PHE  51  -5.911   4.165  -5.895
  408    HE2  PHE  51           HE2      PHE  51  -5.257   2.806  -1.900
  409    HZ   PHE  51           HZ       PHE  51  -6.806   3.454  -3.709
  410    H    THR  52           HN       THR  52  -2.058   3.938  -8.130
  411    HA   THR  52           HA       THR  52  -4.343   2.081  -8.097
  412    HB   THR  52           HB       THR  52  -3.490   4.352  -9.881
  413    HG1  THR  52           HG1      THR  52  -5.171   4.081  -7.991
  414   1HG2  THR  52           HG23     THR  52  -4.974   1.930 -10.747
  415   2HG2  THR  52           HG22     THR  52  -5.686   3.478 -11.203
  416   3HG2  THR  52           HG21     THR  52  -4.042   3.082 -11.705
  417    H    GLU  53           HN       GLU  53  -1.353   2.619  -9.936
  418    HA   GLU  53           HA       GLU  53  -1.807   0.204 -11.552
  419   1HB   GLU  53           HB2      GLU  53   0.909   1.436 -11.185
  420   2HB   GLU  53           HB1      GLU  53   0.190   0.740 -12.639
  421   1HG   GLU  53           HG2      GLU  53  -1.530   2.771 -12.256
  422   2HG   GLU  53           HG1      GLU  53  -0.099   3.479 -11.508
  423    H    CYS  54           HN       CYS  54  -0.136   1.108  -8.611
  424    HA   CYS  54           HA       CYS  54   1.267  -1.418  -8.292
  425   1HB   CYS  54           HB2      CYS  54   2.263   0.377  -7.185
  426   2HB   CYS  54           HB1      CYS  54   0.728   1.005  -6.573
  427    H    CYS  55           HN       CYS  55  -1.779  -0.075  -7.120
  428    HA   CYS  55           HA       CYS  55  -2.330  -2.344  -5.382
  429   1HB   CYS  55           HB2      CYS  55  -3.272  -0.026  -5.017
  430   2HB   CYS  55           HB1      CYS  55  -4.327  -0.283  -6.401
  431    H    VAL  56           HN       VAL  56  -3.378  -1.275  -8.607
  432    HA   VAL  56           HA       VAL  56  -5.216  -3.416  -9.070
  433    HB   VAL  56           HB       VAL  56  -4.907  -2.902 -11.478
  434   1HG1  VAL  56           HG12     VAL  56  -5.442  -0.861  -9.400
  435   2HG1  VAL  56           HG11     VAL  56  -5.138  -0.230 -11.019
  436   3HG1  VAL  56           HG13     VAL  56  -6.446  -1.383 -10.753
  437   1HG2  VAL  56           HG22     VAL  56  -2.544  -1.399 -10.378
  438   2HG2  VAL  56           HG21     VAL  56  -2.631  -2.453 -11.790
  439   3HG2  VAL  56           HG23     VAL  56  -3.332  -0.836 -11.852
  440    H    VAL  57           HN       VAL  57  -1.746  -3.046  -9.980
  441    HA   VAL  57           HA       VAL  57  -1.468  -5.676 -11.050
  442    HB   VAL  57           HB       VAL  57   0.367  -4.147 -11.356
  443   1HG1  VAL  57           HG11     VAL  57  -0.277  -3.238  -8.841
  444   2HG1  VAL  57           HG13     VAL  57   1.242  -4.084  -8.543
  445   3HG1  VAL  57           HG12     VAL  57   1.173  -2.780  -9.729
  446   1HG2  VAL  57           HG22     VAL  57   0.661  -6.726 -10.259
  447   2HG2  VAL  57           HG21     VAL  57   1.873  -5.829 -11.172
  448   3HG2  VAL  57           HG23     VAL  57   1.842  -5.726  -9.411
  449    H    ALA  58           HN       ALA  58  -1.130  -4.442  -7.723
  450    HA   ALA  58           HA       ALA  58  -0.306  -6.789  -6.440
  451   1HB   ALA  58           HB2      ALA  58  -1.980  -4.449  -5.648
  452   2HB   ALA  58           HB1      ALA  58  -2.038  -5.868  -4.603
  453   3HB   ALA  58           HB3      ALA  58  -0.498  -5.067  -4.916
  454    H    SER  59           HN       SER  59  -3.706  -5.811  -6.255
  455    HA   SER  59           HA       SER  59  -4.872  -8.246  -5.701
  456   1HB   SER  59           HB2      SER  59  -6.403  -6.969  -7.804
  457   2HB   SER  59           HB1      SER  59  -6.786  -7.130  -6.092
  458    HG   SER  59           HG       SER  59  -6.213  -4.940  -7.272
  459    H    GLN  60           HN       GLN  60  -4.795  -7.048  -9.042
  460    HA   GLN  60           HA       GLN  60  -5.519  -9.369 -10.346
  461   1HB   GLN  60           HB2      GLN  60  -3.938  -6.980 -11.089
  462   2HB   GLN  60           HB1      GLN  60  -3.767  -8.375 -12.155
  463   1HG   GLN  60           HG2      GLN  60  -6.236  -8.512 -12.350
  464   2HG   GLN  60           HG1      GLN  60  -6.383  -7.083 -11.329
  465   1HE2  GLN  60           HE22     GLN  60  -6.089  -4.972 -14.118
  466   2HE2  GLN  60           HE21     GLN  60  -6.796  -5.282 -12.607
  467    H    LEU  61           HN       LEU  61  -2.071  -8.421 -10.446
  468    HA   LEU  61           HA       LEU  61  -1.228 -11.087 -11.058
  469   1HB   LEU  61           HB2      LEU  61   0.512  -9.871 -11.784
  470   2HB   LEU  61           HB1      LEU  61  -0.084  -8.455 -10.933
  471    HG   LEU  61           HG       LEU  61   0.996  -9.627  -8.838
  472   1HD1  LEU  61           HD11     LEU  61   1.577 -11.527 -10.731
  473   2HD1  LEU  61           HD13     LEU  61   3.068 -10.586 -10.689
  474   3HD1  LEU  61           HD12     LEU  61   2.452 -11.325  -9.212
  475   1HD2  LEU  61           HD22     LEU  61   2.073  -7.895 -10.953
  476   2HD2  LEU  61           HD21     LEU  61   2.106  -7.682  -9.202
  477   3HD2  LEU  61           HD23     LEU  61   3.315  -8.698  -9.990
  478    H    ARG  62           HN       ARG  62  -2.409 -10.119  -8.138
  479    HA   ARG  62           HA       ARG  62  -0.472 -11.858  -6.693
  480   1HB   ARG  62           HB2      ARG  62  -2.530  -9.892  -5.657
  481   2HB   ARG  62           HB1      ARG  62  -1.675 -11.023  -4.615
  482   1HG   ARG  62           HG2      ARG  62   0.474 -10.085  -5.259
  483   2HG   ARG  62           HG1      ARG  62  -0.304  -9.016  -6.427
  484   1HD   ARG  62           HD2      ARG  62   0.238  -7.855  -4.286
  485   2HD   ARG  62           HD1      ARG  62  -1.490  -7.858  -4.633
  486    HE   ARG  62           HE       ARG  62  -1.111 -10.125  -3.076
  487   1HH1  ARG  62           HH21     ARG  62  -0.387  -6.757  -2.830
  488   2HH1  ARG  62           HH22     ARG  62  -0.514  -6.726  -1.104
  489   1HH2  ARG  62           HH12     ARG  62  -1.278 -10.095  -0.826
  490   2HH2  ARG  62           HH11     ARG  62  -1.017  -8.612   0.029
  491    H    ALA  63           HN       ALA  63  -3.740 -11.656  -7.819
  492    HA   ALA  63           HA       ALA  63  -4.599 -13.976  -6.210
  493   1HB   ALA  63           HB2      ALA  63  -6.198 -12.140  -6.650
  494   2HB   ALA  63           HB1      ALA  63  -6.040 -12.422  -8.383
  495   3HB   ALA  63           HB3      ALA  63  -6.766 -13.655  -7.351
  496    H    ASN  64           HN       ASN  64  -4.173 -13.142  -9.653
  497    HA   ASN  64           HA       ASN  64  -4.102 -16.062 -10.255
  498   1HB   ASN  64           HB2      ASN  64  -5.427 -13.934 -11.528
  499   2HB   ASN  64           HB1      ASN  64  -4.072 -14.332 -12.586
  500   1HD2  ASN  64           HD22     ASN  64  -5.910 -17.041 -13.877
  501   2HD2  ASN  64           HD21     ASN  64  -4.950 -15.676 -14.187
  502    H    ILE  65           HN       ILE  65  -1.953 -14.166  -9.173
  503    HA   ILE  65           HA       ILE  65   0.099 -13.360 -10.694
  504    HB   ILE  65           HB       ILE  65   1.018 -15.518  -8.871
  505   1HG1  ILE  65           HG12     ILE  65  -0.799 -13.257  -8.021
  506   2HG1  ILE  65           HG11     ILE  65  -0.897 -14.963  -7.584
  507   1HG2  ILE  65           HG22     ILE  65   1.986 -13.133  -9.974
  508   2HG2  ILE  65           HG21     ILE  65   1.751 -12.771  -8.263
  509   3HG2  ILE  65           HG23     ILE  65   2.779 -14.116  -8.750
  510   1HD1  ILE  65           HD11     ILE  65   1.346 -13.102  -6.741
  511   2HD1  ILE  65           HD13     ILE  65  -0.008 -13.575  -5.716
  512   3HD1  ILE  65           HD12     ILE  65   1.153 -14.787  -6.258
  513    H    SER  66           HN       SER  66   0.367 -14.116 -12.771
  514    HA   SER  66           HA       SER  66   1.891 -16.533 -13.160
  515   1HB   SER  66           HB2      SER  66  -0.332 -17.571 -12.863
  516   2HB   SER  66           HB1      SER  66  -0.983 -16.544 -14.136
  517    HG   SER  66           HG       SER  66   1.292 -18.124 -14.620
  518    H    HIS  67           HN       HIS  67  -0.199 -14.055 -14.590
  519    HA   HIS  67           HA       HIS  67   1.198 -14.212 -17.171
  520   1HB   HIS  67           HB2      HIS  67  -1.184 -12.849 -16.083
  521   2HB   HIS  67           HB1      HIS  67  -0.275 -11.900 -17.261
  522    HD1  HIS  67           HD1      HIS  67  -2.483 -12.359 -18.794
  523    HD2  HIS  67           HD2      HIS  67  -0.055 -15.659 -18.018
  524    HE1  HIS  67           HE1      HIS  67  -3.113 -14.129 -20.493
  525    H    LYS  68           HN       LYS  68   1.461 -11.518 -17.840
  526    HA   LYS  68           HA       LYS  68   3.931 -10.855 -16.464
  527   1HB   LYS  68           HB2      LYS  68   2.336  -9.712 -18.715
  528   2HB   LYS  68           HB1      LYS  68   3.464  -8.633 -17.891
  529   1HG   LYS  68           HG2      LYS  68   4.712 -11.199 -18.357
  530   2HG   LYS  68           HG1      LYS  68   4.082 -10.548 -19.871
  531   1HD   LYS  68           HD2      LYS  68   5.495  -8.620 -18.105
  532   2HD   LYS  68           HD1      LYS  68   6.497  -9.854 -18.872
  533   1HE   LYS  68           HE2      LYS  68   6.191  -8.988 -20.959
  534   2HE   LYS  68           HE1      LYS  68   4.505  -8.576 -20.647
  535   1HZ   LYS  68           HZ3      LYS  68   5.706  -6.870 -19.023
  536   2HZ   LYS  68           HZ2      LYS  68   6.916  -7.005 -20.208
  537   3HZ   LYS  68           HZ1      LYS  68   5.352  -6.501 -20.640
  538    H    ASP  69           HN       ASP  69   4.307  -8.950 -15.179
  539    HA   ASP  69           HA       ASP  69   2.069  -8.285 -13.428
  540   1HB   ASP  69           HB2      ASP  69   3.741  -6.842 -12.278
  541   2HB   ASP  69           HB1      ASP  69   4.329  -8.490 -12.504
  542    H    MET  70           HN       MET  70   2.515  -5.568 -12.903
  543    HA   MET  70           HA       MET  70   2.047  -4.218 -15.515
  544   1HB   MET  70           HB2      MET  70  -0.119  -4.900 -14.225
  545   2HB   MET  70           HB1      MET  70   0.308  -3.574 -13.142
  546   1HG   MET  70           HG2      MET  70  -1.117  -2.611 -14.795
  547   2HG   MET  70           HG1      MET  70   0.519  -2.123 -15.241
  548   1HE   MET  70           HE1      MET  70   1.649  -2.497 -17.108
  549   2HE   MET  70           HE3      MET  70   1.013  -3.151 -18.625
  550   3HE   MET  70           HE2      MET  70   0.260  -1.740 -17.885
  551    H    CYS  71           HN       CYS  71   1.812  -3.222 -12.082
  552    HA   CYS  71           HA       CYS  71   4.067  -1.336 -12.612
  553   1HB   CYS  71           HB2      CYS  71   1.309  -0.761 -11.840
  554   2HB   CYS  71           HB1      CYS  71   2.471  -0.073 -10.697
  555   1H    CYS  72           HN3      CYS  72   3.625   4.267 -12.270
  556   2H    CYS  72           HN2      CYS  72   2.214   3.323 -12.272
  557   3H    CYS  72           HN1      CYS  72   2.163   4.929 -11.721
  558    HA   CYS  72           HA       CYS  72   2.133   3.541  -9.812
  559   1HB   CYS  72           HB2      CYS  72   4.520   2.216  -9.705
  560   2HB   CYS  72           HB1      CYS  72   2.970   1.489 -10.085
  561    H    LEU  73           HN       LEU  73   5.580   3.591 -10.463
  562    HA   LEU  73           HA       LEU  73   6.450   4.923  -8.251
  563   1HB   LEU  73           HB2      LEU  73   7.965   4.051  -9.993
  564   2HB   LEU  73           HB1      LEU  73   7.512   5.388 -11.053
  565    HG   LEU  73           HG       LEU  73   8.433   6.141  -8.333
  566   1HD1  LEU  73           HD12     LEU  73  10.250   4.938 -10.439
  567   2HD1  LEU  73           HD11     LEU  73  10.835   5.966  -9.130
  568   3HD1  LEU  73           HD13     LEU  73  10.064   4.423  -8.762
  569   1HD2  LEU  73           HD23     LEU  73   7.811   7.788 -10.080
  570   2HD2  LEU  73           HD22     LEU  73   9.509   7.942  -9.627
  571   3HD2  LEU  73           HD21     LEU  73   9.066   7.135 -11.131
  572    H    GLY  74           HN       GLY  74   6.955   7.161  -7.740
  573   1HA   GLY  74           HA2      GLY  74   5.442   9.172  -9.345
  574   2HA   GLY  74           HA1      GLY  74   5.244   9.108  -7.594
  575   1HN   DAR  75           HN       ARG  75   6.106  11.472  -8.482
  576    HA   DAR  75           HA       ARG  75   8.904  11.794  -8.902
  577   1HB   DAR  75           HB1      ARG  75   8.654  10.789  -6.456
  578   2HB   DAR  75           HB2      ARG  75   8.271  12.462  -6.052
  579   1HG   DAR  75           HG1      ARG  75  10.389  13.141  -7.247
  580   2HG   DAR  75           HG2      ARG  75  10.787  11.429  -7.390
  581   1HD   DAR  75           HD1      ARG  75  11.708  11.551  -5.336
  582   2HD   DAR  75           HD2      ARG  75  10.083  11.802  -4.699
  583    HNE  DAR  75           HE       ARG  75  10.788  13.946  -4.147
  584   1HH1  DAR  75           HH11     ARG  75  11.580  15.989  -4.622
  585   2HH1  DAR  75           HH12     ARG  75  12.530  16.231  -6.051
  586   1HH2  DAR  75           HH21     ARG  75  12.376  12.924  -7.054
  587   2HH2  DAR  75           HH22     ARG  75  12.965  14.507  -7.425
   
  No H/Q in entry =         587
  Start of MODEL   19
    1   1H    MET   1           HN1      MET   1  -1.194 -16.070  -2.583
    2   2H    MET   1           HN3      MET   1  -1.805 -17.480  -3.302
    3   3H    MET   1           HN2      MET   1  -2.866 -16.365  -2.582
    4    HA   MET   1           HA       MET   1  -2.783 -17.780  -0.854
    5   1HB   MET   1           HB2      MET   1  -0.990 -19.073  -2.464
    6   2HB   MET   1           HB1      MET   1   0.038 -18.627  -1.102
    7   1HG   MET   1           HG2      MET   1  -0.905 -20.769  -0.569
    8   2HG   MET   1           HG1      MET   1  -1.759 -19.584   0.421
    9   1HE   MET   1           HE2      MET   1  -1.395 -21.314  -2.699
   10   2HE   MET   1           HE1      MET   1  -2.886 -22.232  -2.900
   11   3HE   MET   1           HE3      MET   1  -2.707 -20.649  -3.670
   12    H    LEU   2           HN       LEU   2   0.369 -16.203  -1.475
   13    HA   LEU   2           HA       LEU   2   0.259 -15.176   1.334
   14   1HB   LEU   2           HB2      LEU   2   2.517 -16.073  -0.420
   15   2HB   LEU   2           HB1      LEU   2   2.825 -14.796   0.758
   16    HG   LEU   2           HG       LEU   2   1.455 -16.533   2.316
   17   1HD1  LEU   2           HD11     LEU   2   1.613 -18.043   0.107
   18   2HD1  LEU   2           HD13     LEU   2   3.182 -18.443   0.807
   19   3HD1  LEU   2           HD12     LEU   2   1.705 -18.745   1.722
   20   1HD2  LEU   2           HD21     LEU   2   4.407 -16.432   1.652
   21   2HD2  LEU   2           HD23     LEU   2   3.570 -15.642   2.989
   22   3HD2  LEU   2           HD22     LEU   2   3.773 -17.394   2.987
   23    H    GLN   3           HN       GLN   3   1.125 -12.958   1.617
   24    HA   GLN   3           HA       GLN   3   0.531 -11.291  -0.787
   25   1HB   GLN   3           HB2      GLN   3   0.122  -9.461   0.815
   26   2HB   GLN   3           HB1      GLN   3  -0.883 -10.859   1.195
   27   1HG   GLN   3           HG2      GLN   3   0.310 -11.378   3.105
   28   2HG   GLN   3           HG1      GLN   3   1.807 -10.680   2.484
   29   1HE2  GLN   3           HE22     GLN   3  -0.834  -7.734   3.483
   30   2HE2  GLN   3           HE21     GLN   3  -1.248  -8.902   2.323
   31    H    LYS   4           HN       LYS   4   3.143 -12.655   0.081
   32    HA   LYS   4           HA       LYS   4   4.855 -10.265   0.496
   33   1HB   LYS   4           HB2      LYS   4   5.132 -13.176   0.944
   34   2HB   LYS   4           HB1      LYS   4   6.585 -12.371   0.351
   35   1HG   LYS   4           HG2      LYS   4   6.946 -11.397   2.350
   36   2HG   LYS   4           HG1      LYS   4   5.294 -10.779   2.403
   37   1HD   LYS   4           HD2      LYS   4   4.700 -12.359   3.891
   38   2HD   LYS   4           HD1      LYS   4   5.279 -13.635   2.820
   39   1HE   LYS   4           HE2      LYS   4   7.595 -13.235   3.641
   40   2HE   LYS   4           HE1      LYS   4   6.965 -12.029   4.763
   41   1HZ   LYS   4           HZ2      LYS   4   5.721 -14.671   4.784
   42   2HZ   LYS   4           HZ1      LYS   4   7.279 -14.540   5.450
   43   3HZ   LYS   4           HZ3      LYS   4   6.011 -13.596   6.068
   44    H    LYS   5           HN       LYS   5   4.621  -9.344  -1.626
   45    HA   LYS   5           HA       LYS   5   6.505 -10.406  -3.569
   46   1HB   LYS   5           HB2      LYS   5   3.708 -11.136  -3.781
   47   2HB   LYS   5           HB1      LYS   5   4.200 -10.168  -5.171
   48   1HG   LYS   5           HG2      LYS   5   6.087 -12.297  -4.293
   49   2HG   LYS   5           HG1      LYS   5   4.591 -12.830  -5.061
   50   1HD   LYS   5           HD2      LYS   5   5.259 -12.110  -7.097
   51   2HD   LYS   5           HD1      LYS   5   5.831 -10.572  -6.452
   52   1HE   LYS   5           HE2      LYS   5   7.817 -11.580  -7.192
   53   2HE   LYS   5           HE1      LYS   5   7.794 -11.989  -5.477
   54   1HZ   LYS   5           HZ1      LYS   5   6.350 -13.976  -6.653
   55   2HZ   LYS   5           HZ3      LYS   5   7.606 -13.704  -7.759
   56   3HZ   LYS   5           HZ2      LYS   5   7.967 -14.088  -6.144
   57    H    ILE   6           HN       ILE   6   3.614  -8.293  -3.356
   58    HA   ILE   6           HA       ILE   6   4.942  -6.286  -5.032
   59    HB   ILE   6           HB       ILE   6   2.255  -6.924  -4.305
   60   1HG1  ILE   6           HG12     ILE   6   3.401  -6.278  -6.527
   61   2HG1  ILE   6           HG11     ILE   6   1.755  -5.705  -6.259
   62   1HG2  ILE   6           HG22     ILE   6   2.536  -5.177  -2.522
   63   2HG2  ILE   6           HG21     ILE   6   2.904  -4.007  -3.788
   64   3HG2  ILE   6           HG23     ILE   6   1.314  -4.767  -3.725
   65   1HD1  ILE   6           HD11     ILE   6   3.969  -3.945  -5.315
   66   2HD1  ILE   6           HD13     ILE   6   3.728  -4.063  -7.058
   67   3HD1  ILE   6           HD12     ILE   6   2.412  -3.512  -6.021
   68    H    GLU   7           HN       GLU   7   5.553  -7.154  -2.021
   69    HA   GLU   7           HA       GLU   7   5.297  -4.827  -0.409
   70   1HB   GLU   7           HB2      GLU   7   6.975  -7.278  -0.377
   71   2HB   GLU   7           HB1      GLU   7   7.591  -5.905   0.544
   72   1HG   GLU   7           HG2      GLU   7   5.272  -5.723   1.587
   73   2HG   GLU   7           HG1      GLU   7   4.920  -7.292   0.858
   74    H    GLU   8           HN       GLU   8   8.465  -5.915  -1.656
   75    HA   GLU   8           HA       GLU   8   9.502  -3.219  -1.618
   76   1HB   GLU   8           HB2      GLU   8  11.350  -4.313  -3.082
   77   2HB   GLU   8           HB1      GLU   8  11.144  -4.930  -1.443
   78   1HG   GLU   8           HG2      GLU   8   9.366  -6.300  -3.279
   79   2HG   GLU   8           HG1      GLU   8  11.040  -6.421  -3.825
   80    H    ILE   9           HN       ILE   9   7.796  -5.141  -4.011
   81    HA   ILE   9           HA       ILE   9   8.467  -3.621  -6.337
   82    HB   ILE   9           HB       ILE   9   5.717  -4.729  -5.666
   83   1HG1  ILE   9           HG12     ILE   9   7.501  -6.440  -5.332
   84   2HG1  ILE   9           HG11     ILE   9   6.460  -6.824  -6.703
   85   1HG2  ILE   9           HG22     ILE   9   5.880  -3.259  -7.659
   86   2HG2  ILE   9           HG21     ILE   9   7.150  -4.298  -8.305
   87   3HG2  ILE   9           HG23     ILE   9   5.514  -4.926  -8.106
   88   1HD1  ILE   9           HD11     ILE   9   8.769  -5.137  -7.397
   89   2HD1  ILE   9           HD13     ILE   9   9.206  -6.739  -6.803
   90   3HD1  ILE   9           HD12     ILE   9   8.144  -6.575  -8.203
   91    H    ALA  10           HN       ALA  10   6.447  -3.103  -3.566
   92    HA   ALA  10           HA       ALA  10   5.315  -0.573  -4.556
   93   1HB   ALA  10           HB3      ALA  10   5.168  -2.062  -1.916
   94   2HB   ALA  10           HB2      ALA  10   4.440  -0.474  -2.155
   95   3HB   ALA  10           HB1      ALA  10   3.879  -1.853  -3.102
   96    H    ALA  11           HN       ALA  11   7.938  -1.790  -2.637
   97    HA   ALA  11           HA       ALA  11   8.692   0.494  -1.173
   98   1HB   ALA  11           HB2      ALA  11  10.357  -1.716  -2.367
   99   2HB   ALA  11           HB1      ALA  11  11.017  -0.482  -1.295
  100   3HB   ALA  11           HB3      ALA  11   9.774  -1.587  -0.708
  101    H    LYS  12           HN       LYS  12   9.452  -0.456  -4.504
  102    HA   LYS  12           HA       LYS  12  11.343   1.623  -5.043
  103   1HB   LYS  12           HB2      LYS  12   9.707  -0.261  -6.677
  104   2HB   LYS  12           HB1      LYS  12  10.419   1.128  -7.498
  105   1HG   LYS  12           HG2      LYS  12  12.270  -0.184  -7.653
  106   2HG   LYS  12           HG1      LYS  12  12.522   0.266  -5.966
  107   1HD   LYS  12           HD2      LYS  12  12.634  -2.092  -5.935
  108   2HD   LYS  12           HD1      LYS  12  10.986  -1.745  -5.411
  109   1HE   LYS  12           HE2      LYS  12  10.167  -2.905  -7.154
  110   2HE   LYS  12           HE1      LYS  12  11.027  -1.851  -8.276
  111   1HZ   LYS  12           HZ1      LYS  12  12.944  -3.492  -7.184
  112   2HZ   LYS  12           HZ3      LYS  12  11.629  -4.515  -7.502
  113   3HZ   LYS  12           HZ2      LYS  12  12.299  -3.582  -8.753
  114    H    TYR  13           HN       TYR  13   8.007   1.865  -4.514
  115    HA   TYR  13           HA       TYR  13   7.484   4.037  -6.381
  116   1HB   TYR  13           HB2      TYR  13   5.979   2.968  -3.965
  117   2HB   TYR  13           HB1      TYR  13   5.419   4.364  -4.870
  118    HD1  TYR  13           HD1      TYR  13   6.997   1.170  -5.902
  119    HD2  TYR  13           HD2      TYR  13   3.543   3.727  -6.264
  120    HE1  TYR  13           HE1      TYR  13   6.060  -0.342  -7.613
  121    HE2  TYR  13           HE2      TYR  13   2.644   2.223  -7.976
  122    HH   TYR  13           HH       TYR  13   2.940  -0.352  -8.521
  123    H    LYS  14           HN       LYS  14   9.146   5.493  -6.046
  124    HA   LYS  14           HA       LYS  14  10.676   6.689  -4.502
  125   1HB   LYS  14           HB2      LYS  14   8.611   7.943  -5.994
  126   2HB   LYS  14           HB1      LYS  14   8.792   8.835  -4.484
  127   1HG   LYS  14           HG2      LYS  14  10.439   9.863  -5.747
  128   2HG   LYS  14           HG1      LYS  14  11.380   8.553  -5.033
  129   1HD   LYS  14           HD2      LYS  14  10.981   7.171  -7.043
  130   2HD   LYS  14           HD1      LYS  14  10.054   8.490  -7.761
  131   1HE   LYS  14           HE2      LYS  14  12.283   8.624  -8.662
  132   2HE   LYS  14           HE1      LYS  14  12.111   9.945  -7.505
  133   1HZ   LYS  14           HZ3      LYS  14  13.020   8.139  -5.868
  134   2HZ   LYS  14           HZ2      LYS  14  13.666   7.470  -7.289
  135   3HZ   LYS  14           HZ1      LYS  14  14.078   9.053  -6.828
  136    H    HIS  15           HN       HIS  15  11.012   6.341  -2.387
  137    HA   HIS  15           HA       HIS  15   9.181   5.956  -0.334
  138   1HB   HIS  15           HB2      HIS  15  10.961   6.732   1.214
  139   2HB   HIS  15           HB1      HIS  15  11.592   5.646  -0.024
  140    HD1  HIS  15           HD1      HIS  15  13.292   7.884   1.468
  141    HD2  HIS  15           HD2      HIS  15  11.644   8.225  -2.346
  142    HE1  HIS  15           HE1      HIS  15  14.651   9.637   0.254
  143    H    SER  16           HN       SER  16   9.979   8.955  -1.920
  144    HA   SER  16           HA       SER  16   9.361  10.922  -0.078
  145   1HB   SER  16           HB2      SER  16   9.885  11.449  -2.413
  146   2HB   SER  16           HB1      SER  16   8.359  10.742  -2.935
  147    HG   SER  16           HG       SER  16   7.976  12.893  -2.745
  148    H    VAL  17           HN       VAL  17   6.785   9.892  -2.291
  149    HA   VAL  17           HA       VAL  17   4.967   9.570   0.049
  150    HB   VAL  17           HB       VAL  17   4.551  11.337  -2.372
  151   1HG1  VAL  17           HG11     VAL  17   2.547  10.004  -0.567
  152   2HG1  VAL  17           HG13     VAL  17   2.197  11.588  -1.257
  153   3HG1  VAL  17           HG12     VAL  17   2.497  10.212  -2.318
  154   1HG2  VAL  17           HG23     VAL  17   5.207  11.746   0.393
  155   2HG2  VAL  17           HG22     VAL  17   4.997  12.956  -0.871
  156   3HG2  VAL  17           HG21     VAL  17   3.612  12.431   0.085
  157    H    VAL  18           HN       VAL  18   5.293   9.276  -3.481
  158    HA   VAL  18           HA       VAL  18   3.282   7.493  -4.122
  159    HB   VAL  18           HB       VAL  18   4.892   8.347  -5.760
  160   1HG1  VAL  18           HG12     VAL  18   6.734   6.808  -4.000
  161   2HG1  VAL  18           HG11     VAL  18   7.117   6.856  -5.718
  162   3HG1  VAL  18           HG13     VAL  18   6.989   8.357  -4.797
  163   1HG2  VAL  18           HG23     VAL  18   4.059   5.583  -5.527
  164   2HG2  VAL  18           HG22     VAL  18   4.200   6.574  -6.979
  165   3HG2  VAL  18           HG21     VAL  18   5.599   5.683  -6.380
  166    H    LYS  19           HN       LYS  19   6.064   6.851  -2.095
  167    HA   LYS  19           HA       LYS  19   5.991   3.977  -2.326
  168   1HB   LYS  19           HB2      LYS  19   7.990   4.700  -1.382
  169   2HB   LYS  19           HB1      LYS  19   7.205   5.958  -0.436
  170   1HG   LYS  19           HG2      LYS  19   6.968   4.573   1.347
  171   2HG   LYS  19           HG1      LYS  19   6.334   3.270   0.345
  172   1HD   LYS  19           HD2      LYS  19   8.356   2.263   0.148
  173   2HD   LYS  19           HD1      LYS  19   9.209   3.796  -0.034
  174   1HE   LYS  19           HE2      LYS  19   9.362   4.132   2.286
  175   2HE   LYS  19           HE1      LYS  19   8.043   3.010   2.626
  176   1HZ   LYS  19           HZ2      LYS  19  10.634   2.173   1.451
  177   2HZ   LYS  19           HZ1      LYS  19  10.317   2.149   3.121
  178   3HZ   LYS  19           HZ3      LYS  19   9.407   1.175   2.073
  179    H    LYS  20           HN       LYS  20   5.335   5.581   0.767
  180    HA   LYS  20           HA       LYS  20   3.630   3.693   1.841
  181   1HB   LYS  20           HB2      LYS  20   4.451   5.902   2.887
  182   2HB   LYS  20           HB1      LYS  20   3.031   6.639   2.145
  183   1HG   LYS  20           HG2      LYS  20   1.759   4.629   3.279
  184   2HG   LYS  20           HG1      LYS  20   3.173   4.590   4.333
  185   1HD   LYS  20           HD2      LYS  20   1.751   6.074   5.461
  186   2HD   LYS  20           HD1      LYS  20   2.782   7.166   4.538
  187   1HE   LYS  20           HE2      LYS  20   0.940   6.899   2.686
  188   2HE   LYS  20           HE1      LYS  20  -0.076   6.389   4.035
  189   1HZ   LYS  20           HZ1      LYS  20   1.529   8.847   4.247
  190   2HZ   LYS  20           HZ3      LYS  20   0.052   8.876   3.413
  191   3HZ   LYS  20           HZ2      LYS  20   0.092   8.428   5.053
  192    H    CYS  21           HN       CYS  21   2.910   5.885  -0.756
  193    HA   CYS  21           HA       CYS  21   0.013   5.743  -0.676
  194   1HB   CYS  21           HB2      CYS  21   1.923   6.122  -2.982
  195   2HB   CYS  21           HB1      CYS  21   0.185   6.355  -2.996
  196    H    CYS  22           HN       CYS  22   2.295   4.216  -2.965
  197    HA   CYS  22           HA       CYS  22   0.501   2.437  -4.102
  198   1HB   CYS  22           HB2      CYS  22   2.380   2.405  -5.261
  199   2HB   CYS  22           HB1      CYS  22   3.420   2.612  -3.862
  200    H    TYR  23           HN       TYR  23   2.449   2.110  -1.165
  201    HA   TYR  23           HA       TYR  23   1.693  -0.563  -0.511
  202   1HB   TYR  23           HB2      TYR  23   2.510   1.828   1.150
  203   2HB   TYR  23           HB1      TYR  23   2.017   0.319   1.918
  204    HD1  TYR  23           HD2      TYR  23   4.388   1.745  -0.574
  205    HD2  TYR  23           HD1      TYR  23   3.518  -1.510   2.080
  206    HE1  TYR  23           HE2      TYR  23   6.647   0.820  -0.981
  207    HE2  TYR  23           HE1      TYR  23   5.782  -2.445   1.670
  208    HH   TYR  23           HH       TYR  23   7.965  -1.708   0.931
  209    H    ASP  24           HN       ASP  24   0.234   2.599   0.094
  210    HA   ASP  24           HA       ASP  24  -1.974   1.857   1.673
  211   1HB   ASP  24           HB2      ASP  24  -1.377   4.114  -0.211
  212   2HB   ASP  24           HB1      ASP  24  -3.086   3.790   0.119
  213    H    GLY  25           HN       GLY  25  -1.625   1.851  -1.851
  214   1HA   GLY  25           HA2      GLY  25  -4.234   1.053  -2.561
  215   2HA   GLY  25           HA1      GLY  25  -2.786   0.706  -3.507
  216    H    ALA  26           HN       ALA  26  -1.339  -1.056  -2.216
  217    HA   ALA  26           HA       ALA  26  -3.124  -3.409  -2.098
  218   1HB   ALA  26           HB3      ALA  26  -0.944  -3.423  -3.346
  219   2HB   ALA  26           HB2      ALA  26  -0.113  -3.305  -1.795
  220   3HB   ALA  26           HB1      ALA  26  -1.096  -4.723  -2.164
  221    H    SER  27           HN       SER  27  -2.482  -1.221   0.198
  222    HA   SER  27           HA       SER  27  -1.879  -3.179   2.333
  223   1HB   SER  27           HB2      SER  27  -1.761  -0.219   2.168
  224   2HB   SER  27           HB1      SER  27  -1.803  -1.013   3.725
  225    HG   SER  27           HG       SER  27  -0.031  -2.354   2.670
  226    H    VAL  28           HN       VAL  28  -4.134  -0.465   1.814
  227    HA   VAL  28           HA       VAL  28  -5.791  -1.110   4.041
  228    HB   VAL  28           HB       VAL  28  -7.108   0.065   1.633
  229   1HG1  VAL  28           HG11     VAL  28  -7.031   0.482   4.613
  230   2HG1  VAL  28           HG13     VAL  28  -7.653   1.752   3.561
  231   3HG1  VAL  28           HG12     VAL  28  -8.420   0.167   3.578
  232   1HG2  VAL  28           HG23     VAL  28  -4.569   1.037   2.799
  233   2HG2  VAL  28           HG22     VAL  28  -5.313   1.421   1.246
  234   3HG2  VAL  28           HG21     VAL  28  -5.845   2.250   2.708
  235    H    ASN  29           HN       ASN  29  -8.288  -1.647   3.507
  236    HA   ASN  29           HA       ASN  29  -8.628  -4.330   3.168
  237   1HB   ASN  29           HB2      ASN  29 -10.328  -2.062   3.069
  238   2HB   ASN  29           HB1      ASN  29 -10.770  -3.080   1.705
  239   1HD2  ASN  29           HD22     ASN  29 -11.141  -5.888   4.271
  240   2HD2  ASN  29           HD21     ASN  29  -9.961  -5.608   3.085
  241    H    ASN  30           HN       ASN  30  -9.407  -5.656   1.328
  242    HA   ASN  30           HA       ASN  30  -7.709  -5.815  -0.833
  243   1HB   ASN  30           HB2      ASN  30 -10.536  -6.641  -0.390
  244   2HB   ASN  30           HB1      ASN  30  -9.951  -6.667  -2.054
  245   1HD2  ASN  30           HD22     ASN  30  -8.533  -9.393   0.631
  246   2HD2  ASN  30           HD21     ASN  30  -9.542  -8.127   1.142
  247    H    ASP  31           HN       ASP  31 -10.327  -3.525  -0.396
  248    HA   ASP  31           HA       ASP  31  -9.362  -2.055  -2.748
  249   1HB   ASP  31           HB2      ASP  31 -11.477  -2.007  -3.911
  250   2HB   ASP  31           HB1      ASP  31 -11.061  -3.697  -3.622
  251    H    GLU  32           HN       GLU  32  -9.878  -1.754   0.310
  252    HA   GLU  32           HA       GLU  32 -11.943   0.135   0.717
  253   1HB   GLU  32           HB2      GLU  32 -11.011  -0.484   2.729
  254   2HB   GLU  32           HB1      GLU  32  -9.362  -0.452   2.106
  255   1HG   GLU  32           HG2      GLU  32  -9.149   1.838   2.441
  256   2HG   GLU  32           HG1      GLU  32 -10.881   2.127   2.277
  257    H    THR  33           HN       THR  33  -8.549   1.202   0.763
  258    HA   THR  33           HA       THR  33  -9.268   3.785  -0.359
  259    HB   THR  33           HB       THR  33  -6.465   2.685  -0.214
  260    HG1  THR  33           HG1      THR  33  -8.020   3.799   1.880
  261   1HG2  THR  33           HG21     THR  33  -7.772   5.393  -0.142
  262   2HG2  THR  33           HG23     THR  33  -6.141   5.157   0.485
  263   3HG2  THR  33           HG22     THR  33  -6.492   4.813  -1.209
  264    H    CYS  34           HN       CYS  34  -7.731   0.840  -1.569
  265    HA   CYS  34           HA       CYS  34  -6.740   1.466  -4.057
  266   1HB   CYS  34           HB2      CYS  34  -7.329  -0.847  -2.954
  267   2HB   CYS  34           HB1      CYS  34  -8.827  -0.693  -3.868
  268    H    GLU  35           HN       GLU  35 -10.103   1.558  -3.049
  269    HA   GLU  35           HA       GLU  35 -11.014   2.207  -5.790
  270   1HB   GLU  35           HB2      GLU  35 -12.200   0.703  -3.938
  271   2HB   GLU  35           HB1      GLU  35 -12.876   2.261  -3.461
  272   1HG   GLU  35           HG2      GLU  35 -13.711   2.630  -5.730
  273   2HG   GLU  35           HG1      GLU  35 -12.968   1.125  -6.271
  274    H    GLN  36           HN       GLN  36 -11.949   3.676  -2.659
  275    HA   GLN  36           HA       GLN  36 -12.831   6.113  -3.558
  276   1HB   GLN  36           HB2      GLN  36 -11.328   5.314  -1.099
  277   2HB   GLN  36           HB1      GLN  36 -11.576   7.035  -1.397
  278   1HG   GLN  36           HG2      GLN  36 -13.803   4.978  -1.428
  279   2HG   GLN  36           HG1      GLN  36 -13.402   5.975  -0.027
  280   1HE2  GLN  36           HE22     GLN  36 -14.790   8.952  -1.409
  281   2HE2  GLN  36           HE21     GLN  36 -13.756   8.329  -0.217
  282    H    ARG  37           HN       ARG  37  -9.529   5.027  -3.516
  283    HA   ARG  37           HA       ARG  37  -8.579   7.694  -4.385
  284   1HB   ARG  37           HB2      ARG  37  -7.395   5.381  -3.005
  285   2HB   ARG  37           HB1      ARG  37  -6.351   6.110  -4.223
  286   1HG   ARG  37           HG2      ARG  37  -6.343   6.997  -1.733
  287   2HG   ARG  37           HG1      ARG  37  -6.207   8.119  -3.078
  288   1HD   ARG  37           HD2      ARG  37  -8.355   8.935  -2.792
  289   2HD   ARG  37           HD1      ARG  37  -8.950   7.418  -2.116
  290    HE   ARG  37           HE       ARG  37  -7.159   8.341  -0.211
  291   1HH1  ARG  37           HH21     ARG  37  -9.914   9.595  -1.876
  292   2HH1  ARG  37           HH22     ARG  37 -10.392  10.626  -0.570
  293   1HH2  ARG  37           HH12     ARG  37  -7.774   9.682   1.495
  294   2HH2  ARG  37           HH11     ARG  37  -9.183  10.676   1.336
  295    H    ALA  38           HN       ALA  38  -8.547   4.242  -5.486
  296    HA   ALA  38           HA       ALA  38  -7.481   5.213  -8.093
  297   1HB   ALA  38           HB2      ALA  38  -6.810   3.005  -6.694
  298   2HB   ALA  38           HB1      ALA  38  -8.086   2.332  -7.707
  299   3HB   ALA  38           HB3      ALA  38  -6.684   3.098  -8.450
  300    H    ALA  39           HN       ALA  39 -10.301   5.634  -7.111
  301    HA   ALA  39           HA       ALA  39 -11.623   4.657  -9.585
  302   1HB   ALA  39           HB1      ALA  39 -12.646   4.211  -6.767
  303   2HB   ALA  39           HB3      ALA  39 -13.658   4.055  -8.203
  304   3HB   ALA  39           HB2      ALA  39 -12.278   2.982  -7.975
  305    H    ARG  40           HN       ARG  40 -11.761   6.712  -6.694
  306    HA   ARG  40           HA       ARG  40 -12.833   8.902  -8.339
  307   1HB   ARG  40           HB2      ARG  40 -14.874   7.730  -7.587
  308   2HB   ARG  40           HB1      ARG  40 -14.331   7.863  -5.913
  309   1HG   ARG  40           HG2      ARG  40 -15.271   9.901  -5.791
  310   2HG   ARG  40           HG1      ARG  40 -14.168  10.464  -7.048
  311   1HD   ARG  40           HD2      ARG  40 -15.846  10.564  -8.540
  312   2HD   ARG  40           HD1      ARG  40 -16.260   8.877  -8.238
  313    HE   ARG  40           HE       ARG  40 -17.337  10.212  -6.066
  314   1HH1  ARG  40           HH21     ARG  40 -17.490  10.508  -9.504
  315   2HH1  ARG  40           HH22     ARG  40 -19.103  11.135  -9.507
  316   1HH2  ARG  40           HH12     ARG  40 -19.440  11.030  -6.058
  317   2HH2  ARG  40           HH11     ARG  40 -20.206  11.431  -7.559
  318    H    ILE  41           HN       ILE  41 -10.931  10.044  -7.818
  319    HA   ILE  41           HA       ILE  41 -10.301  10.443  -4.941
  320    HB   ILE  41           HB       ILE  41  -8.775  11.603  -7.278
  321   1HG1  ILE  41           HG12     ILE  41  -7.270   9.541  -6.809
  322   2HG1  ILE  41           HG11     ILE  41  -8.720   8.820  -6.117
  323   1HG2  ILE  41           HG23     ILE  41  -8.490  12.218  -4.742
  324   2HG2  ILE  41           HG22     ILE  41  -7.692  10.650  -4.637
  325   3HG2  ILE  41           HG21     ILE  41  -7.056  11.892  -5.713
  326   1HD1  ILE  41           HD11     ILE  41  -9.017  10.091  -8.786
  327   2HD1  ILE  41           HD13     ILE  41  -8.073   8.601  -8.729
  328   3HD1  ILE  41           HD12     ILE  41  -9.742   8.610  -8.158
  329    H    SER  42           HN       SER  42 -10.180  12.622  -4.072
  330    HA   SER  42           HA       SER  42 -12.026  14.491  -5.474
  331   1HB   SER  42           HB2      SER  42 -12.307  15.564  -3.313
  332   2HB   SER  42           HB1      SER  42 -12.503  13.827  -3.100
  333    HG   SER  42           HG       SER  42 -11.000  15.160  -1.657
  334    H    LEU  43           HN       LEU  43  -8.707  14.067  -4.632
  335    HA   LEU  43           HA       LEU  43  -8.151  16.839  -5.606
  336   1HB   LEU  43           HB2      LEU  43  -7.839  16.122  -3.004
  337   2HB   LEU  43           HB1      LEU  43  -6.263  15.662  -3.642
  338    HG   LEU  43           HG       LEU  43  -7.555  18.391  -3.645
  339   1HD1  LEU  43           HD13     LEU  43  -5.993  17.350  -1.793
  340   2HD1  LEU  43           HD12     LEU  43  -4.712  17.717  -2.947
  341   3HD1  LEU  43           HD11     LEU  43  -5.734  19.011  -2.323
  342   1HD2  LEU  43           HD21     LEU  43  -6.657  17.894  -5.925
  343   2HD2  LEU  43           HD23     LEU  43  -5.745  19.161  -5.105
  344   3HD2  LEU  43           HD22     LEU  43  -5.093  17.525  -5.200
  345    H    GLY  44           HN       GLY  44  -7.718  13.584  -6.144
  346   1HA   GLY  44           HA2      GLY  44  -6.025  12.295  -7.200
  347   2HA   GLY  44           HA1      GLY  44  -6.059  13.647  -8.329
  348    HA   PRO  45           HA       PRO  45  -2.674  14.994  -5.082
  349   1HB   PRO  45           HB2      PRO  45  -2.228  12.793  -3.315
  350   2HB   PRO  45           HB1      PRO  45  -2.851  14.397  -2.922
  351   1HG   PRO  45           HG2      PRO  45  -4.271  11.927  -2.939
  352   2HG   PRO  45           HG1      PRO  45  -4.897  13.542  -2.588
  353   1HD   PRO  45           HD2      PRO  45  -5.388  11.912  -4.901
  354   2HD   PRO  45           HD1      PRO  45  -6.041  13.510  -4.522
  355    H    ARG  46           HN       ARG  46  -2.118  11.511  -4.648
  356    HA   ARG  46           HA       ARG  46  -0.518  11.243  -7.047
  357   1HB   ARG  46           HB2      ARG  46   0.760  12.582  -4.981
  358   2HB   ARG  46           HB1      ARG  46   1.302  10.916  -4.777
  359   1HG   ARG  46           HG2      ARG  46   2.854  11.904  -6.294
  360   2HG   ARG  46           HG1      ARG  46   1.784  10.919  -7.291
  361   1HD   ARG  46           HD2      ARG  46   0.691  12.766  -8.185
  362   2HD   ARG  46           HD1      ARG  46   1.067  13.788  -6.798
  363    HE   ARG  46           HE       ARG  46   3.543  13.255  -7.922
  364   1HH1  ARG  46           HH21     ARG  46   0.507  14.482  -9.021
  365   2HH1  ARG  46           HH22     ARG  46   1.211  15.493 -10.237
  366   1HH2  ARG  46           HH12     ARG  46   4.470  14.569  -9.506
  367   2HH2  ARG  46           HH11     ARG  46   3.452  15.543 -10.512
  368    H    CYS  47           HN       CYS  47  -1.140  10.046  -3.732
  369    HA   CYS  47           HA       CYS  47  -0.183   7.422  -4.178
  370   1HB   CYS  47           HB2      CYS  47  -2.608   8.006  -2.459
  371   2HB   CYS  47           HB1      CYS  47  -1.473   6.697  -2.267
  372    H    ILE  48           HN       ILE  48  -3.208   8.940  -5.080
  373    HA   ILE  48           HA       ILE  48  -4.538   6.530  -5.741
  374    HB   ILE  48           HB       ILE  48  -6.071   7.883  -7.008
  375   1HG1  ILE  48           HG12     ILE  48  -4.321   9.157  -8.312
  376   2HG1  ILE  48           HG11     ILE  48  -5.645  10.153  -7.722
  377   1HG2  ILE  48           HG23     ILE  48  -5.059   8.762  -4.415
  378   2HG2  ILE  48           HG22     ILE  48  -5.886  10.049  -5.291
  379   3HG2  ILE  48           HG21     ILE  48  -6.723   8.535  -4.953
  380   1HD1  ILE  48           HD12     ILE  48  -4.173  10.641  -5.682
  381   2HD1  ILE  48           HD11     ILE  48  -2.844   9.950  -6.609
  382   3HD1  ILE  48           HD13     ILE  48  -3.682  11.381  -7.205
  383    H    LYS  49           HN       LYS  49  -2.580   8.670  -7.907
  384    HA   LYS  49           HA       LYS  49  -2.815   6.897 -10.156
  385   1HB   LYS  49           HB2      LYS  49  -1.084   9.204  -9.410
  386   2HB   LYS  49           HB1      LYS  49  -0.492   8.139 -10.684
  387   1HG   LYS  49           HG2      LYS  49  -3.215   8.523 -11.259
  388   2HG   LYS  49           HG1      LYS  49  -2.610  10.115 -10.799
  389   1HD   LYS  49           HD2      LYS  49  -0.941  10.091 -12.486
  390   2HD   LYS  49           HD1      LYS  49  -1.121   8.356 -12.750
  391   1HE   LYS  49           HE2      LYS  49  -2.247   9.433 -14.572
  392   2HE   LYS  49           HE1      LYS  49  -3.507   8.838 -13.492
  393   1HZ   LYS  49           HZ3      LYS  49  -2.452  11.560 -13.142
  394   2HZ   LYS  49           HZ2      LYS  49  -3.602  11.257 -14.355
  395   3HZ   LYS  49           HZ1      LYS  49  -3.975  10.939 -12.728
  396    H    ALA  50           HN       ALA  50   0.058   7.465  -8.086
  397    HA   ALA  50           HA       ALA  50   1.637   5.298  -8.953
  398   1HB   ALA  50           HB3      ALA  50   1.301   6.247  -6.091
  399   2HB   ALA  50           HB2      ALA  50   2.658   5.313  -6.719
  400   3HB   ALA  50           HB1      ALA  50   2.399   6.970  -7.268
  401    H    PHE  51           HN       PHE  51  -0.395   5.375  -6.109
  402    HA   PHE  51           HA       PHE  51  -0.228   2.595  -5.728
  403   1HB   PHE  51           HB2      PHE  51  -1.091   3.097  -3.764
  404   2HB   PHE  51           HB1      PHE  51  -1.038   4.763  -4.227
  405    HD1  PHE  51           HD1      PHE  51  -3.406   4.571  -6.252
  406    HD2  PHE  51           HD2      PHE  51  -2.872   3.218  -2.248
  407    HE1  PHE  51           HE1      PHE  51  -5.856   4.584  -5.930
  408    HE2  PHE  51           HE2      PHE  51  -5.313   3.245  -1.908
  409    HZ   PHE  51           HZ       PHE  51  -6.810   3.905  -3.759
  410    H    THR  52           HN       THR  52  -2.106   4.305  -7.996
  411    HA   THR  52           HA       THR  52  -4.407   2.508  -7.991
  412    HB   THR  52           HB       THR  52  -3.444   4.743  -9.738
  413    HG1  THR  52           HG1      THR  52  -5.444   5.477  -9.296
  414   1HG2  THR  52           HG21     THR  52  -5.421   2.645 -10.688
  415   2HG2  THR  52           HG23     THR  52  -5.103   4.184 -11.489
  416   3HG2  THR  52           HG22     THR  52  -3.835   2.963 -11.393
  417    H    GLU  53           HN       GLU  53  -1.474   2.909  -9.981
  418    HA   GLU  53           HA       GLU  53  -2.042   0.445 -11.468
  419   1HB   GLU  53           HB2      GLU  53   0.555   2.000 -11.211
  420   2HB   GLU  53           HB1      GLU  53   0.201   0.758 -12.413
  421   1HG   GLU  53           HG2      GLU  53  -0.286   2.687 -13.619
  422   2HG   GLU  53           HG1      GLU  53  -1.872   2.288 -12.959
  423    H    CYS  54           HN       CYS  54  -0.317   1.349  -8.569
  424    HA   CYS  54           HA       CYS  54   1.104  -1.172  -8.277
  425   1HB   CYS  54           HB2      CYS  54   2.098   0.611  -7.153
  426   2HB   CYS  54           HB1      CYS  54   0.565   1.222  -6.524
  427    H    CYS  55           HN       CYS  55  -1.985   0.108  -7.196
  428    HA   CYS  55           HA       CYS  55  -2.511  -2.132  -5.411
  429   1HB   CYS  55           HB2      CYS  55  -3.502   0.184  -5.128
  430   2HB   CYS  55           HB1      CYS  55  -4.535  -0.152  -6.513
  431    H    VAL  56           HN       VAL  56  -3.649  -1.114  -8.635
  432    HA   VAL  56           HA       VAL  56  -5.361  -3.350  -9.093
  433    HB   VAL  56           HB       VAL  56  -5.004  -2.831 -11.523
  434   1HG1  VAL  56           HG13     VAL  56  -5.867  -0.934  -9.439
  435   2HG1  VAL  56           HG12     VAL  56  -5.489  -0.181 -10.989
  436   3HG1  VAL  56           HG11     VAL  56  -6.704  -1.458 -10.901
  437   1HG2  VAL  56           HG21     VAL  56  -2.808  -1.196 -10.308
  438   2HG2  VAL  56           HG23     VAL  56  -2.816  -2.119 -11.811
  439   3HG2  VAL  56           HG22     VAL  56  -3.632  -0.558 -11.730
  440    H    VAL  57           HN       VAL  57  -1.922  -2.806  -9.964
  441    HA   VAL  57           HA       VAL  57  -1.479  -5.382 -11.096
  442    HB   VAL  57           HB       VAL  57   0.182  -3.617 -11.315
  443   1HG1  VAL  57           HG13     VAL  57  -0.390  -2.926  -8.800
  444   2HG1  VAL  57           HG12     VAL  57   1.038  -3.907  -8.472
  445   3HG1  VAL  57           HG11     VAL  57   1.151  -2.511  -9.544
  446   1HG2  VAL  57           HG23     VAL  57   0.844  -6.110 -11.167
  447   2HG2  VAL  57           HG22     VAL  57   2.134  -4.926 -10.958
  448   3HG2  VAL  57           HG21     VAL  57   1.435  -5.726  -9.550
  449    H    ALA  58           HN       ALA  58  -1.129  -4.246  -7.711
  450    HA   ALA  58           HA       ALA  58  -0.170  -6.631  -6.572
  451   1HB   ALA  58           HB1      ALA  58  -1.875  -4.383  -5.594
  452   2HB   ALA  58           HB3      ALA  58  -1.814  -5.843  -4.608
  453   3HB   ALA  58           HB2      ALA  58  -0.329  -4.967  -4.978
  454    H    SER  59           HN       SER  59  -3.501  -5.706  -7.354
  455    HA   SER  59           HA       SER  59  -4.773  -8.068  -6.346
  456   1HB   SER  59           HB2      SER  59  -6.047  -7.022  -8.739
  457   2HB   SER  59           HB1      SER  59  -6.644  -7.046  -7.080
  458    HG   SER  59           HG       SER  59  -6.320  -4.912  -7.907
  459    H    GLN  60           HN       GLN  60  -4.405  -7.236  -9.792
  460    HA   GLN  60           HA       GLN  60  -4.893  -9.697 -10.909
  461   1HB   GLN  60           HB2      GLN  60  -3.637  -7.309 -11.769
  462   2HB   GLN  60           HB1      GLN  60  -2.559  -8.630 -12.224
  463   1HG   GLN  60           HG2      GLN  60  -4.383  -9.784 -13.360
  464   2HG   GLN  60           HG1      GLN  60  -5.528  -8.550 -12.831
  465   1HE2  GLN  60           HE21     GLN  60  -6.023  -7.261 -14.611
  466   2HE2  GLN  60           HE22     GLN  60  -4.891  -6.669 -15.729
  467    H    LEU  61           HN       LEU  61  -2.089  -8.758  -9.086
  468    HA   LEU  61           HA       LEU  61  -0.395 -11.008  -9.806
  469   1HB   LEU  61           HB2      LEU  61  -0.425  -8.991  -7.569
  470   2HB   LEU  61           HB1      LEU  61   0.715 -10.320  -7.567
  471    HG   LEU  61           HG       LEU  61   1.131  -7.918  -8.663
  472   1HD1  LEU  61           HD12     LEU  61   2.725  -9.831  -8.188
  473   2HD1  LEU  61           HD11     LEU  61   2.372 -10.396  -9.822
  474   3HD1  LEU  61           HD13     LEU  61   3.128  -8.821  -9.578
  475   1HD2  LEU  61           HD21     LEU  61  -0.560  -8.406 -10.474
  476   2HD2  LEU  61           HD23     LEU  61   1.050  -8.034 -11.086
  477   3HD2  LEU  61           HD22     LEU  61   0.496  -9.706 -11.017
  478    H    ARG  62           HN       ARG  62  -1.310 -10.231  -6.538
  479    HA   ARG  62           HA       ARG  62  -1.231 -12.635  -5.298
  480   1HB   ARG  62           HB2      ARG  62  -3.470 -10.609  -5.063
  481   2HB   ARG  62           HB1      ARG  62  -3.288 -11.972  -3.958
  482   1HG   ARG  62           HG2      ARG  62  -0.861 -10.321  -4.436
  483   2HG   ARG  62           HG1      ARG  62  -2.152  -9.572  -3.496
  484   1HD   ARG  62           HD2      ARG  62  -1.641 -12.337  -2.706
  485   2HD   ARG  62           HD1      ARG  62  -0.224 -11.313  -2.505
  486    HE   ARG  62           HE       ARG  62  -2.475 -11.345  -0.783
  487   1HH1  ARG  62           HH21     ARG  62  -0.550  -9.051  -2.523
  488   2HH1  ARG  62           HH22     ARG  62  -1.078  -7.709  -1.569
  489   1HH2  ARG  62           HH12     ARG  62  -3.139  -9.605   0.466
  490   2HH2  ARG  62           HH11     ARG  62  -2.529  -8.020   0.121
  491    H    ALA  63           HN       ALA  63  -3.903 -11.719  -7.467
  492    HA   ALA  63           HA       ALA  63  -5.574 -13.954  -7.083
  493   1HB   ALA  63           HB3      ALA  63  -5.563 -11.840  -8.826
  494   2HB   ALA  63           HB2      ALA  63  -5.170 -13.176  -9.909
  495   3HB   ALA  63           HB1      ALA  63  -6.654 -13.220  -8.957
  496    H    ASN  64           HN       ASN  64  -3.067 -13.630  -9.617
  497    HA   ASN  64           HA       ASN  64  -2.357 -16.484  -9.207
  498   1HB   ASN  64           HB2      ASN  64  -3.998 -15.636 -11.327
  499   2HB   ASN  64           HB1      ASN  64  -2.395 -15.832 -12.038
  500   1HD2  ASN  64           HD22     ASN  64  -2.260 -19.372 -11.146
  501   2HD2  ASN  64           HD21     ASN  64  -1.262 -17.998 -11.128
  502    H    ILE  65           HN       ILE  65  -0.746 -14.532  -8.299
  503    HA   ILE  65           HA       ILE  65   1.012 -13.263 -10.118
  504    HB   ILE  65           HB       ILE  65   2.647 -14.107  -7.955
  505   1HG1  ILE  65           HG12     ILE  65  -0.087 -13.194  -7.013
  506   2HG1  ILE  65           HG11     ILE  65   0.509 -14.849  -6.865
  507   1HG2  ILE  65           HG23     ILE  65   1.231 -11.621  -8.842
  508   2HG2  ILE  65           HG22     ILE  65   1.996 -11.631  -7.253
  509   3HG2  ILE  65           HG21     ILE  65   2.960 -11.931  -8.697
  510   1HD1  ILE  65           HD12     ILE  65   2.491 -13.000  -5.869
  511   2HD1  ILE  65           HD11     ILE  65   0.946 -12.714  -5.068
  512   3HD1  ILE  65           HD13     ILE  65   1.682 -14.316  -5.019
  513    H    SER  66           HN       SER  66   1.947 -14.311 -11.786
  514    HA   SER  66           HA       SER  66   3.835 -16.481 -11.213
  515   1HB   SER  66           HB2      SER  66   2.730 -17.880 -13.098
  516   2HB   SER  66           HB1      SER  66   1.982 -17.914 -11.504
  517    HG   SER  66           HG       SER  66   1.190 -16.546 -13.838
  518    H    HIS  67           HN       HIS  67   2.169 -14.507 -13.654
  519    HA   HIS  67           HA       HIS  67   4.568 -14.674 -15.402
  520   1HB   HIS  67           HB2      HIS  67   1.758 -14.401 -15.869
  521   2HB   HIS  67           HB1      HIS  67   2.560 -12.958 -16.490
  522    HD1  HIS  67           HD1      HIS  67   1.638 -16.209 -17.568
  523    HD2  HIS  67           HD2      HIS  67   5.071 -13.895 -18.057
  524    HE1  HIS  67           HE1      HIS  67   2.875 -17.174 -19.556
  525    H    LYS  68           HN       LYS  68   4.363 -12.144 -16.627
  526    HA   LYS  68           HA       LYS  68   5.843 -10.514 -14.802
  527   1HB   LYS  68           HB2      LYS  68   5.287 -10.462 -17.527
  528   2HB   LYS  68           HB1      LYS  68   4.494  -9.010 -16.916
  529   1HG   LYS  68           HG2      LYS  68   6.529  -8.032 -16.970
  530   2HG   LYS  68           HG1      LYS  68   6.934  -9.036 -15.578
  531   1HD   LYS  68           HD2      LYS  68   7.243 -10.756 -17.747
  532   2HD   LYS  68           HD1      LYS  68   7.890  -9.221 -18.330
  533   1HE   LYS  68           HE2      LYS  68   9.384  -9.065 -16.420
  534   2HE   LYS  68           HE1      LYS  68   8.664 -10.503 -15.694
  535   1HZ   LYS  68           HZ2      LYS  68   9.588 -10.895 -18.391
  536   2HZ   LYS  68           HZ1      LYS  68  10.829 -10.497 -17.302
  537   3HZ   LYS  68           HZ3      LYS  68   9.844 -11.845 -17.005
  538    H    ASP  69           HN       ASP  69   4.959  -8.050 -14.579
  539    HA   ASP  69           HA       ASP  69   2.171  -8.234 -13.513
  540   1HB   ASP  69           HB2      ASP  69   2.953  -6.644 -11.702
  541   2HB   ASP  69           HB1      ASP  69   3.635  -8.268 -11.600
  542    H    MET  70           HN       MET  70   1.872  -5.567 -12.769
  543    HA   MET  70           HA       MET  70   2.083  -4.221 -15.425
  544   1HB   MET  70           HB2      MET  70  -0.206  -4.672 -14.287
  545   2HB   MET  70           HB1      MET  70   0.238  -3.356 -13.203
  546   1HG   MET  70           HG2      MET  70   0.522  -1.839 -15.097
  547   2HG   MET  70           HG1      MET  70   0.183  -3.151 -16.226
  548   1HE   MET  70           HE1      MET  70  -0.811  -0.615 -16.312
  549   2HE   MET  70           HE3      MET  70  -2.415  -1.024 -16.939
  550   3HE   MET  70           HE2      MET  70  -2.258  -0.100 -15.447
  551    H    CYS  71           HN       CYS  71   1.653  -2.926 -12.118
  552    HA   CYS  71           HA       CYS  71   3.991  -1.148 -12.665
  553   1HB   CYS  71           HB2      CYS  71   1.272  -0.599 -11.771
  554   2HB   CYS  71           HB1      CYS  71   2.467   0.060 -10.650
  555   1H    CYS  72           HN2      CYS  72   3.488   4.425 -12.040
  556   2H    CYS  72           HN1      CYS  72   2.030   3.555 -11.978
  557   3H    CYS  72           HN3      CYS  72   2.105   5.127 -11.348
  558    HA   CYS  72           HA       CYS  72   2.139   3.598  -9.528
  559   1HB   CYS  72           HB2      CYS  72   4.503   2.255  -9.624
  560   2HB   CYS  72           HB1      CYS  72   2.938   1.564 -10.008
  561    H    LEU  73           HN       LEU  73   5.536   3.678 -10.389
  562    HA   LEU  73           HA       LEU  73   6.501   4.914  -8.139
  563   1HB   LEU  73           HB2      LEU  73   8.069   4.088  -9.737
  564   2HB   LEU  73           HB1      LEU  73   7.446   5.148 -11.001
  565    HG   LEU  73           HG       LEU  73   8.463   6.443  -8.514
  566   1HD1  LEU  73           HD11     LEU  73  10.040   4.509  -9.660
  567   2HD1  LEU  73           HD13     LEU  73  10.532   5.949 -10.554
  568   3HD1  LEU  73           HD12     LEU  73  10.656   5.917  -8.795
  569   1HD2  LEU  73           HD23     LEU  73   8.347   7.010 -11.474
  570   2HD2  LEU  73           HD22     LEU  73   7.663   7.947 -10.146
  571   3HD2  LEU  73           HD21     LEU  73   9.406   7.948 -10.419
  572    H    GLY  74           HN       GLY  74   7.010   7.119  -7.565
  573   1HA   GLY  74           HA2      GLY  74   5.356   9.150  -9.017
  574   2HA   GLY  74           HA1      GLY  74   5.551   9.153  -7.265
  575   1HN   DAR  75           HN       ARG  75   6.331  11.429  -7.772
  576    HA   DAR  75           HA       ARG  75   8.690  12.011  -9.199
  577   1HB   DAR  75           HB1      ARG  75   9.904  10.462  -7.827
  578   2HB   DAR  75           HB2      ARG  75   9.161  11.088  -6.355
  579   1HG   DAR  75           HG1      ARG  75  10.382  13.278  -7.727
  580   2HG   DAR  75           HG2      ARG  75  11.560  11.967  -7.638
  581   1HD   DAR  75           HD1      ARG  75  11.799  12.196  -5.397
  582   2HD   DAR  75           HD2      ARG  75  10.058  12.318  -5.153
  583    HNE  DAR  75           HE       ARG  75  10.398  14.598  -4.870
  584   1HH1  DAR  75           HH11     ARG  75  11.066  16.631  -5.530
  585   2HH1  DAR  75           HH12     ARG  75  12.283  16.780  -6.755
  586   1HH2  DAR  75           HH21     ARG  75  12.693  13.369  -7.161
  587   2HH2  DAR  75           HH22     ARG  75  13.189  14.942  -7.679
   
  No H/Q in entry =         587
  Start of MODEL   20
    1   1H    MET   1           HN3      MET   1  11.877 -15.701  -3.626
    2   2H    MET   1           HN2      MET   1  12.784 -16.758  -4.599
    3   3H    MET   1           HN1      MET   1  11.299 -17.263  -3.943
    4    HA   MET   1           HA       MET   1  13.139 -18.231  -2.719
    5   1HB   MET   1           HB2      MET   1  14.706 -16.819  -1.538
    6   2HB   MET   1           HB1      MET   1  14.697 -16.309  -3.227
    7   1HG   MET   1           HG2      MET   1  13.055 -14.522  -2.638
    8   2HG   MET   1           HG1      MET   1  13.198 -14.991  -0.944
    9   1HE   MET   1           HE3      MET   1  14.628 -13.941  -4.064
   10   2HE   MET   1           HE2      MET   1  14.792 -12.296  -3.452
   11   3HE   MET   1           HE1      MET   1  16.233 -13.252  -3.787
   12    H    LEU   2           HN       LEU   2  11.339 -15.274  -1.863
   13    HA   LEU   2           HA       LEU   2  10.258 -16.772   0.489
   14   1HB   LEU   2           HB2      LEU   2  11.580 -14.138   0.354
   15   2HB   LEU   2           HB1      LEU   2  10.058 -14.144   1.247
   16    HG   LEU   2           HG       LEU   2  11.607 -16.483   1.932
   17   1HD1  LEU   2           HD11     LEU   2  13.467 -14.874   1.227
   18   2HD1  LEU   2           HD13     LEU   2  12.968 -13.861   2.581
   19   3HD1  LEU   2           HD12     LEU   2  13.566 -15.494   2.874
   20   1HD2  LEU   2           HD21     LEU   2   9.741 -15.206   3.180
   21   2HD2  LEU   2           HD23     LEU   2  11.102 -15.781   4.143
   22   3HD2  LEU   2           HD22     LEU   2  11.010 -14.084   3.669
   23    H    GLN   3           HN       GLN   3   8.291 -15.104   1.304
   24    HA   GLN   3           HA       GLN   3   6.428 -15.185  -0.989
   25   1HB   GLN   3           HB2      GLN   3   6.197 -15.146   1.966
   26   2HB   GLN   3           HB1      GLN   3   4.927 -14.288   1.093
   27   1HG   GLN   3           HG2      GLN   3   4.249 -16.223  -0.070
   28   2HG   GLN   3           HG1      GLN   3   5.761 -17.066   0.270
   29   1HE2  GLN   3           HE22     GLN   3   4.691 -18.271   3.423
   30   2HE2  GLN   3           HE21     GLN   3   5.978 -18.138   2.324
   31    H    LYS   4           HN       LYS   4   8.570 -13.131  -0.824
   32    HA   LYS   4           HA       LYS   4   6.986 -10.654  -0.378
   33   1HB   LYS   4           HB2      LYS   4   9.804 -11.374  -0.196
   34   2HB   LYS   4           HB1      LYS   4   9.564  -9.935  -1.188
   35   1HG   LYS   4           HG2      LYS   4   7.843  -9.508   0.936
   36   2HG   LYS   4           HG1      LYS   4   9.230 -10.279   1.705
   37   1HD   LYS   4           HD2      LYS   4   9.828  -8.163  -0.299
   38   2HD   LYS   4           HD1      LYS   4   9.132  -7.628   1.232
   39   1HE   LYS   4           HE2      LYS   4  10.922  -9.154   2.331
   40   2HE   LYS   4           HE1      LYS   4  11.715  -9.108   0.757
   41   1HZ   LYS   4           HZ1      LYS   4  10.885  -6.672   2.224
   42   2HZ   LYS   4           HZ3      LYS   4  12.430  -7.355   2.367
   43   3HZ   LYS   4           HZ2      LYS   4  11.897  -6.771   0.864
   44    H    LYS   5           HN       LYS   5   6.165  -9.557  -2.095
   45    HA   LYS   5           HA       LYS   5   7.427  -9.917  -4.766
   46   1HB   LYS   5           HB2      LYS   5   4.914 -11.050  -3.967
   47   2HB   LYS   5           HB1      LYS   5   4.607  -9.782  -5.154
   48   1HG   LYS   5           HG2      LYS   5   6.557 -10.869  -6.488
   49   2HG   LYS   5           HG1      LYS   5   6.283 -12.267  -5.447
   50   1HD   LYS   5           HD2      LYS   5   3.763 -11.909  -6.126
   51   2HD   LYS   5           HD1      LYS   5   4.462 -11.049  -7.498
   52   1HE   LYS   5           HE2      LYS   5   4.314 -13.251  -8.297
   53   2HE   LYS   5           HE1      LYS   5   5.984 -13.155  -7.736
   54   1HZ   LYS   5           HZ2      LYS   5   3.930 -13.983  -5.824
   55   2HZ   LYS   5           HZ1      LYS   5   4.411 -15.104  -7.006
   56   3HZ   LYS   5           HZ3      LYS   5   5.557 -14.455  -5.937
   57    H    ILE   6           HN       ILE   6   4.340  -8.403  -3.884
   58    HA   ILE   6           HA       ILE   6   5.143  -5.920  -5.159
   59    HB   ILE   6           HB       ILE   6   2.702  -6.856  -3.665
   60   1HG1  ILE   6           HG12     ILE   6   3.149  -7.358  -6.114
   61   2HG1  ILE   6           HG11     ILE   6   1.638  -6.506  -5.797
   62   1HG2  ILE   6           HG23     ILE   6   3.509  -4.032  -4.317
   63   2HG2  ILE   6           HG22     ILE   6   1.809  -4.497  -4.389
   64   3HG2  ILE   6           HG21     ILE   6   2.702  -4.652  -2.876
   65   1HD1  ILE   6           HD13     ILE   6   4.012  -4.784  -6.238
   66   2HD1  ILE   6           HD12     ILE   6   3.447  -5.682  -7.647
   67   3HD1  ILE   6           HD11     ILE   6   2.354  -4.582  -6.806
   68    H    GLU   7           HN       GLU   7   5.943  -7.234  -2.219
   69    HA   GLU   7           HA       GLU   7   5.632  -5.137  -0.346
   70   1HB   GLU   7           HB2      GLU   7   7.379  -7.497  -0.640
   71   2HB   GLU   7           HB1      GLU   7   8.066  -6.199   0.335
   72   1HG   GLU   7           HG2      GLU   7   5.240  -6.700   0.930
   73   2HG   GLU   7           HG1      GLU   7   6.270  -8.098   1.244
   74    H    GLU   8           HN       GLU   8   8.938  -5.799  -1.404
   75    HA   GLU   8           HA       GLU   8   9.630  -3.002  -1.284
   76   1HB   GLU   8           HB2      GLU   8  11.791  -3.722  -2.278
   77   2HB   GLU   8           HB1      GLU   8  11.318  -4.782  -0.949
   78   1HG   GLU   8           HG2      GLU   8  10.144  -6.144  -2.907
   79   2HG   GLU   8           HG1      GLU   8  11.365  -5.334  -3.890
   80    H    ILE   9           HN       ILE   9   8.510  -5.117  -3.866
   81    HA   ILE   9           HA       ILE   9   9.202  -3.523  -6.108
   82    HB   ILE   9           HB       ILE   9   6.792  -5.244  -5.489
   83   1HG1  ILE   9           HG12     ILE   9   9.112  -5.471  -7.431
   84   2HG1  ILE   9           HG11     ILE   9   8.903  -6.397  -5.945
   85   1HG2  ILE   9           HG22     ILE   9   7.286  -3.438  -7.841
   86   2HG2  ILE   9           HG21     ILE   9   6.411  -4.953  -8.067
   87   3HG2  ILE   9           HG23     ILE   9   5.785  -3.729  -6.962
   88   1HD1  ILE   9           HD13     ILE   9   6.602  -6.505  -7.791
   89   2HD1  ILE   9           HD12     ILE   9   8.076  -7.248  -8.411
   90   3HD1  ILE   9           HD11     ILE   9   7.382  -7.802  -6.887
   91    H    ALA  10           HN       ALA  10   6.826  -3.212  -3.579
   92    HA   ALA  10           HA       ALA  10   5.606  -0.788  -4.725
   93   1HB   ALA  10           HB2      ALA  10   5.215  -2.392  -2.196
   94   2HB   ALA  10           HB1      ALA  10   4.519  -0.779  -2.355
   95   3HB   ALA  10           HB3      ALA  10   4.047  -2.057  -3.474
   96    H    ALA  11           HN       ALA  11   8.033  -1.765  -2.414
   97    HA   ALA  11           HA       ALA  11   8.380   0.603  -0.935
   98   1HB   ALA  11           HB2      ALA  11  10.437  -1.410  -1.841
   99   2HB   ALA  11           HB1      ALA  11  10.746  -0.145  -0.653
  100   3HB   ALA  11           HB3      ALA  11   9.564  -1.407  -0.309
  101    H    LYS  12           HN       LYS  12   9.295  -0.208  -4.208
  102    HA   LYS  12           HA       LYS  12  11.229   1.906  -4.584
  103   1HB   LYS  12           HB2      LYS  12   9.962  -0.162  -6.194
  104   2HB   LYS  12           HB1      LYS  12  10.151   1.345  -7.091
  105   1HG   LYS  12           HG2      LYS  12  12.245   0.464  -7.460
  106   2HG   LYS  12           HG1      LYS  12  12.560   1.270  -5.922
  107   1HD   LYS  12           HD2      LYS  12  13.313  -0.804  -5.316
  108   2HD   LYS  12           HD1      LYS  12  11.600  -1.089  -5.011
  109   1HE   LYS  12           HE2      LYS  12  11.612  -2.715  -6.564
  110   2HE   LYS  12           HE1      LYS  12  12.039  -1.519  -7.788
  111   1HZ   LYS  12           HZ3      LYS  12  14.130  -2.567  -6.013
  112   2HZ   LYS  12           HZ2      LYS  12  13.601  -3.521  -7.316
  113   3HZ   LYS  12           HZ1      LYS  12  14.259  -1.981  -7.600
  114    H    TYR  13           HN       TYR  13   8.037   2.252  -3.936
  115    HA   TYR  13           HA       TYR  13   7.454   4.363  -5.896
  116   1HB   TYR  13           HB2      TYR  13   5.908   3.240  -3.526
  117   2HB   TYR  13           HB1      TYR  13   5.319   4.578  -4.497
  118    HD1  TYR  13           HD1      TYR  13   7.075   1.416  -5.332
  119    HD2  TYR  13           HD2      TYR  13   3.552   3.820  -5.950
  120    HE1  TYR  13           HE1      TYR  13   6.276  -0.193  -7.025
  121    HE2  TYR  13           HE2      TYR  13   2.788   2.221  -7.643
  122    HH   TYR  13           HH       TYR  13   3.071   0.039  -8.387
  123    H    LYS  14           HN       LYS  14   9.068   5.869  -5.446
  124    HA   LYS  14           HA       LYS  14  10.477   7.064  -3.784
  125   1HB   LYS  14           HB2      LYS  14   8.440   8.299  -5.346
  126   2HB   LYS  14           HB1      LYS  14   8.569   9.171  -3.817
  127   1HG   LYS  14           HG2      LYS  14  10.174  10.168  -5.290
  128   2HG   LYS  14           HG1      LYS  14  11.092   9.165  -4.169
  129   1HD   LYS  14           HD2      LYS  14  10.753   7.306  -5.997
  130   2HD   LYS  14           HD1      LYS  14  10.475   8.681  -7.067
  131   1HE   LYS  14           HE2      LYS  14  12.641   9.567  -6.673
  132   2HE   LYS  14           HE1      LYS  14  12.888   8.546  -5.256
  133   1HZ   LYS  14           HZ1      LYS  14  12.318   7.023  -7.605
  134   2HZ   LYS  14           HZ3      LYS  14  13.696   7.991  -7.804
  135   3HZ   LYS  14           HZ2      LYS  14  13.615   6.887  -6.516
  136    H    HIS  15           HN       HIS  15  10.706   6.685  -1.668
  137    HA   HIS  15           HA       HIS  15   8.787   6.176   0.269
  138   1HB   HIS  15           HB2      HIS  15  10.461   6.984   1.927
  139   2HB   HIS  15           HB1      HIS  15  11.174   5.931   0.706
  140    HD1  HIS  15           HD1      HIS  15  12.806   8.121   2.281
  141    HD2  HIS  15           HD2      HIS  15  11.227   8.612  -1.548
  142    HE1  HIS  15           HE1      HIS  15  14.169   9.941   1.170
  143    H    SER  16           HN       SER  16   9.533   9.270  -1.167
  144    HA   SER  16           HA       SER  16   8.751  11.125   0.729
  145   1HB   SER  16           HB2      SER  16   7.924  11.039  -2.184
  146   2HB   SER  16           HB1      SER  16   7.762  12.452  -1.146
  147    HG   SER  16           HG       SER  16   9.782  12.045  -2.532
  148    H    VAL  17           HN       VAL  17   6.322  10.108  -1.648
  149    HA   VAL  17           HA       VAL  17   4.413   9.602   0.581
  150    HB   VAL  17           HB       VAL  17   4.053  11.505  -1.744
  151   1HG1  VAL  17           HG12     VAL  17   2.017   9.971  -0.157
  152   2HG1  VAL  17           HG11     VAL  17   1.641  11.607  -0.697
  153   3HG1  VAL  17           HG13     VAL  17   2.025  10.356  -1.877
  154   1HG2  VAL  17           HG21     VAL  17   4.972  12.348   0.425
  155   2HG2  VAL  17           HG23     VAL  17   3.408  13.059   0.027
  156   3HG2  VAL  17           HG22     VAL  17   3.512  11.774   1.230
  157    H    VAL  18           HN       VAL  18   5.019   9.436  -2.921
  158    HA   VAL  18           HA       VAL  18   3.049   7.655  -3.754
  159    HB   VAL  18           HB       VAL  18   4.740   8.613  -5.264
  160   1HG1  VAL  18           HG11     VAL  18   6.498   7.021  -3.468
  161   2HG1  VAL  18           HG13     VAL  18   6.981   7.151  -5.156
  162   3HG1  VAL  18           HG12     VAL  18   6.776   8.606  -4.178
  163   1HG2  VAL  18           HG23     VAL  18   4.013   5.782  -5.173
  164   2HG2  VAL  18           HG22     VAL  18   4.064   6.874  -6.555
  165   3HG2  VAL  18           HG21     VAL  18   5.529   6.045  -6.031
  166    H    LYS  19           HN       LYS  19   5.711   7.020  -1.585
  167    HA   LYS  19           HA       LYS  19   5.731   4.141  -1.896
  168   1HB   LYS  19           HB2      LYS  19   7.677   4.937  -0.871
  169   2HB   LYS  19           HB1      LYS  19   6.802   6.096   0.117
  170   1HG   LYS  19           HG2      LYS  19   6.666   4.609   1.817
  171   2HG   LYS  19           HG1      LYS  19   5.985   3.379   0.754
  172   1HD   LYS  19           HD2      LYS  19   7.979   2.342   0.471
  173   2HD   LYS  19           HD1      LYS  19   8.852   3.866   0.317
  174   1HE   LYS  19           HE2      LYS  19   8.804   4.170   2.748
  175   2HE   LYS  19           HE1      LYS  19   7.863   2.690   2.930
  176   1HZ   LYS  19           HZ1      LYS  19   9.762   1.550   1.757
  177   2HZ   LYS  19           HZ3      LYS  19  10.658   2.970   1.996
  178   3HZ   LYS  19           HZ2      LYS  19  10.082   2.096   3.334
  179    H    LYS  20           HN       LYS  20   4.912   5.679   1.193
  180    HA   LYS  20           HA       LYS  20   3.212   3.716   2.146
  181   1HB   LYS  20           HB2      LYS  20   3.794   5.573   3.570
  182   2HB   LYS  20           HB1      LYS  20   2.996   6.720   2.494
  183   1HG   LYS  20           HG2      LYS  20   0.833   5.474   2.935
  184   2HG   LYS  20           HG1      LYS  20   1.690   4.578   4.190
  185   1HD   LYS  20           HD2      LYS  20   2.218   6.662   5.360
  186   2HD   LYS  20           HD1      LYS  20   1.442   7.598   4.083
  187   1HE   LYS  20           HE2      LYS  20  -0.040   5.467   5.629
  188   2HE   LYS  20           HE1      LYS  20   0.031   7.142   6.176
  189   1HZ   LYS  20           HZ1      LYS  20  -0.604   7.186   3.472
  190   2HZ   LYS  20           HZ3      LYS  20  -1.601   6.011   4.181
  191   3HZ   LYS  20           HZ2      LYS  20  -1.604   7.601   4.782
  192    H    CYS  21           HN       CYS  21   2.583   5.914  -0.450
  193    HA   CYS  21           HA       CYS  21  -0.316   5.764  -0.503
  194   1HB   CYS  21           HB2      CYS  21   1.782   6.316  -2.602
  195   2HB   CYS  21           HB1      CYS  21   0.054   6.404  -2.866
  196    H    CYS  22           HN       CYS  22   2.194   4.194  -2.538
  197    HA   CYS  22           HA       CYS  22   0.446   2.451  -3.876
  198   1HB   CYS  22           HB2      CYS  22   2.430   2.428  -4.880
  199   2HB   CYS  22           HB1      CYS  22   3.352   2.562  -3.390
  200    H    TYR  23           HN       TYR  23   2.264   2.112  -0.860
  201    HA   TYR  23           HA       TYR  23   1.382  -0.532  -0.209
  202   1HB   TYR  23           HB2      TYR  23   2.292   1.794   1.502
  203   2HB   TYR  23           HB1      TYR  23   1.836   0.238   2.192
  204    HD1  TYR  23           HD2      TYR  23   4.096   1.844  -0.264
  205    HD2  TYR  23           HD1      TYR  23   3.358  -1.587   2.187
  206    HE1  TYR  23           HE2      TYR  23   6.354   0.995  -0.795
  207    HE2  TYR  23           HE1      TYR  23   5.618  -2.458   1.652
  208    HH   TYR  23           HH       TYR  23   7.899  -1.309   0.908
  209    H    ASP  24           HN       ASP  24   0.031   2.677   0.110
  210    HA   ASP  24           HA       ASP  24  -2.106   2.172   1.903
  211   1HB   ASP  24           HB2      ASP  24  -1.373   4.274   0.008
  212   2HB   ASP  24           HB1      ASP  24  -3.106   3.925  -0.075
  213    H    GLY  25           HN       GLY  25  -1.908   1.855  -1.600
  214   1HA   GLY  25           HA2      GLY  25  -4.572   0.941  -2.057
  215   2HA   GLY  25           HA1      GLY  25  -3.195   0.658  -3.114
  216    H    ALA  26           HN       ALA  26  -1.500  -0.902  -1.752
  217    HA   ALA  26           HA       ALA  26  -3.005  -3.425  -1.587
  218   1HB   ALA  26           HB1      ALA  26  -0.485  -2.785  -2.459
  219   2HB   ALA  26           HB3      ALA  26  -0.149  -3.473  -0.871
  220   3HB   ALA  26           HB2      ALA  26  -1.025  -4.419  -2.074
  221    H    SER  27           HN       SER  27  -2.654  -1.085   0.656
  222    HA   SER  27           HA       SER  27  -1.991  -2.917   2.884
  223   1HB   SER  27           HB2      SER  27  -2.107   0.032   2.603
  224   2HB   SER  27           HB1      SER  27  -2.226  -0.687   4.192
  225    HG   SER  27           HG       SER  27  -0.254  -1.782   3.722
  226    H    VAL  28           HN       VAL  28  -4.458  -0.463   2.096
  227    HA   VAL  28           HA       VAL  28  -6.189  -1.278   4.244
  228    HB   VAL  28           HB       VAL  28  -7.390  -0.107   1.769
  229   1HG1  VAL  28           HG13     VAL  28  -7.613   0.190   4.760
  230   2HG1  VAL  28           HG12     VAL  28  -8.249   1.444   3.695
  231   3HG1  VAL  28           HG11     VAL  28  -8.874  -0.200   3.593
  232   1HG2  VAL  28           HG22     VAL  28  -5.018   0.956   3.143
  233   2HG2  VAL  28           HG21     VAL  28  -5.725   1.433   1.599
  234   3HG2  VAL  28           HG23     VAL  28  -6.362   2.095   3.105
  235    H    ASN  29           HN       ASN  29  -8.597  -2.013   3.476
  236    HA   ASN  29           HA       ASN  29  -8.636  -4.701   3.013
  237   1HB   ASN  29           HB2      ASN  29 -10.550  -2.622   2.851
  238   2HB   ASN  29           HB1      ASN  29 -10.754  -3.592   1.399
  239   1HD2  ASN  29           HD22     ASN  29 -11.056  -6.573   3.781
  240   2HD2  ASN  29           HD21     ASN  29  -9.801  -6.105   2.743
  241    H    ASN  30           HN       ASN  30  -9.047  -6.033   1.074
  242    HA   ASN  30           HA       ASN  30  -7.162  -5.889  -0.922
  243   1HB   ASN  30           HB2      ASN  30  -9.780  -7.184  -0.640
  244   2HB   ASN  30           HB1      ASN  30  -9.336  -6.876  -2.318
  245   1HD2  ASN  30           HD22     ASN  30  -6.215  -8.838  -1.887
  246   2HD2  ASN  30           HD21     ASN  30  -6.617  -7.268  -2.391
  247    H    ASP  31           HN       ASP  31 -10.069  -3.946  -0.666
  248    HA   ASP  31           HA       ASP  31  -9.086  -2.324  -2.918
  249   1HB   ASP  31           HB2      ASP  31 -11.425  -2.333  -3.939
  250   2HB   ASP  31           HB1      ASP  31 -10.483  -3.810  -4.152
  251    H    GLU  32           HN       GLU  32  -9.937  -2.227   0.153
  252    HA   GLU  32           HA       GLU  32 -12.098  -0.439   0.407
  253   1HB   GLU  32           HB2      GLU  32 -11.305  -1.118   2.472
  254   2HB   GLU  32           HB1      GLU  32  -9.615  -0.876   2.029
  255   1HG   GLU  32           HG2      GLU  32  -9.693   1.393   2.501
  256   2HG   GLU  32           HG1      GLU  32 -11.410   1.519   2.120
  257    H    THR  33           HN       THR  33  -8.745   0.734   0.728
  258    HA   THR  33           HA       THR  33  -9.505   3.339  -0.352
  259    HB   THR  33           HB       THR  33  -6.681   2.347   0.061
  260    HG1  THR  33           HG1      THR  33  -8.029   1.970   1.919
  261   1HG2  THR  33           HG22     THR  33  -8.072   5.009  -0.068
  262   2HG2  THR  33           HG21     THR  33  -6.531   4.846   0.775
  263   3HG2  THR  33           HG23     THR  33  -6.642   4.465  -0.944
  264    H    CYS  34           HN       CYS  34  -7.638   0.531  -1.484
  265    HA   CYS  34           HA       CYS  34  -6.452   1.203  -3.829
  266   1HB   CYS  34           HB2      CYS  34  -7.216  -1.138  -2.887
  267   2HB   CYS  34           HB1      CYS  34  -8.566  -0.925  -3.998
  268    H    GLU  35           HN       GLU  35  -9.954   1.124  -3.337
  269    HA   GLU  35           HA       GLU  35 -10.434   2.098  -6.092
  270   1HB   GLU  35           HB2      GLU  35 -11.843   0.290  -4.987
  271   2HB   GLU  35           HB1      GLU  35 -12.499   1.559  -3.952
  272   1HG   GLU  35           HG2      GLU  35 -13.952   2.102  -5.581
  273   2HG   GLU  35           HG1      GLU  35 -12.594   2.534  -6.619
  274    H    GLN  36           HN       GLN  36 -11.564   3.100  -2.829
  275    HA   GLN  36           HA       GLN  36 -12.645   5.562  -3.404
  276   1HB   GLN  36           HB2      GLN  36 -12.265   4.492  -1.101
  277   2HB   GLN  36           HB1      GLN  36 -10.673   5.249  -1.134
  278   1HG   GLN  36           HG2      GLN  36 -11.852   6.943  -0.111
  279   2HG   GLN  36           HG1      GLN  36 -12.122   7.391  -1.794
  280   1HE2  GLN  36           HE22     GLN  36 -15.416   7.167   0.079
  281   2HE2  GLN  36           HE21     GLN  36 -13.965   7.981   0.419
  282    H    ARG  37           HN       ARG  37  -9.286   4.692  -3.589
  283    HA   ARG  37           HA       ARG  37  -8.511   7.485  -4.164
  284   1HB   ARG  37           HB2      ARG  37  -7.213   5.183  -2.958
  285   2HB   ARG  37           HB1      ARG  37  -6.236   5.849  -4.266
  286   1HG   ARG  37           HG2      ARG  37  -5.870   6.843  -1.927
  287   2HG   ARG  37           HG1      ARG  37  -6.137   7.986  -3.239
  288   1HD   ARG  37           HD2      ARG  37  -8.257   8.555  -2.501
  289   2HD   ARG  37           HD1      ARG  37  -8.525   6.985  -1.743
  290    HE   ARG  37           HE       ARG  37  -6.491   8.108  -0.235
  291   1HH1  ARG  37           HH21     ARG  37  -9.646   9.053  -1.278
  292   2HH1  ARG  37           HH22     ARG  37  -9.953  10.032   0.116
  293   1HH2  ARG  37           HH12     ARG  37  -6.884   9.382   1.589
  294   2HH2  ARG  37           HH11     ARG  37  -8.393  10.219   1.737
  295    H    ALA  38           HN       ALA  38  -8.313   4.189  -5.597
  296    HA   ALA  38           HA       ALA  38  -7.075   5.118  -8.035
  297   1HB   ALA  38           HB2      ALA  38  -7.056   2.739  -7.313
  298   2HB   ALA  38           HB1      ALA  38  -8.792   2.656  -7.602
  299   3HB   ALA  38           HB3      ALA  38  -7.687   2.928  -8.949
  300    H    ALA  39           HN       ALA  39 -10.447   4.099  -7.409
  301    HA   ALA  39           HA       ALA  39 -11.363   5.239  -9.925
  302   1HB   ALA  39           HB1      ALA  39 -12.853   4.171  -7.510
  303   2HB   ALA  39           HB3      ALA  39 -13.642   4.705  -8.994
  304   3HB   ALA  39           HB2      ALA  39 -12.547   3.324  -9.026
  305    H    ARG  40           HN       ARG  40 -13.002   5.951  -6.884
  306    HA   ARG  40           HA       ARG  40 -13.783   8.544  -7.483
  307   1HB   ARG  40           HB2      ARG  40 -13.195   7.103  -4.941
  308   2HB   ARG  40           HB1      ARG  40 -13.341   8.859  -4.846
  309   1HG   ARG  40           HG2      ARG  40 -15.579   8.657  -4.908
  310   2HG   ARG  40           HG1      ARG  40 -15.452   7.935  -6.513
  311   1HD   ARG  40           HD2      ARG  40 -15.762   5.824  -5.725
  312   2HD   ARG  40           HD1      ARG  40 -14.768   6.112  -4.297
  313    HE   ARG  40           HE       ARG  40 -17.065   7.584  -3.812
  314   1HH1  ARG  40           HH21     ARG  40 -16.319   4.323  -4.672
  315   2HH1  ARG  40           HH22     ARG  40 -17.693   3.658  -3.855
  316   1HH2  ARG  40           HH12     ARG  40 -18.859   6.726  -2.744
  317   2HH2  ARG  40           HH11     ARG  40 -19.129   5.015  -2.765
  318    H    ILE  41           HN       ILE  41 -12.247   9.806  -8.564
  319    HA   ILE  41           HA       ILE  41  -9.958  10.718  -6.880
  320    HB   ILE  41           HB       ILE  41  -9.913   9.704  -9.717
  321   1HG1  ILE  41           HG12     ILE  41  -7.903   9.419  -7.470
  322   2HG1  ILE  41           HG11     ILE  41  -9.263   8.312  -7.686
  323   1HG2  ILE  41           HG22     ILE  41  -8.349  11.956  -8.557
  324   2HG2  ILE  41           HG21     ILE  41  -7.450  10.772  -9.503
  325   3HG2  ILE  41           HG23     ILE  41  -8.796  11.647 -10.234
  326   1HD1  ILE  41           HD13     ILE  41  -8.468   7.926 -10.050
  327   2HD1  ILE  41           HD12     ILE  41  -7.024   8.855  -9.651
  328   3HD1  ILE  41           HD11     ILE  41  -7.358   7.342  -8.810
  329    H    SER  42           HN       SER  42 -11.234  12.625  -6.427
  330    HA   SER  42           HA       SER  42 -12.437  14.260  -8.436
  331   1HB   SER  42           HB2      SER  42 -12.529  14.365  -5.785
  332   2HB   SER  42           HB1      SER  42 -11.198  15.499  -6.002
  333    HG   SER  42           HG       SER  42 -13.838  15.843  -6.426
  334    H    LEU  43           HN       LEU  43  -9.287  14.645  -6.780
  335    HA   LEU  43           HA       LEU  43  -8.301  16.029  -9.245
  336   1HB   LEU  43           HB2      LEU  43  -6.726  17.200  -7.503
  337   2HB   LEU  43           HB1      LEU  43  -8.378  17.790  -7.698
  338    HG   LEU  43           HG       LEU  43  -9.090  16.367  -5.791
  339   1HD1  LEU  43           HD12     LEU  43  -6.225  15.535  -5.985
  340   2HD1  LEU  43           HD11     LEU  43  -6.956  15.618  -4.382
  341   3HD1  LEU  43           HD13     LEU  43  -7.651  14.567  -5.615
  342   1HD2  LEU  43           HD22     LEU  43  -7.519  18.723  -5.721
  343   2HD2  LEU  43           HD21     LEU  43  -8.648  18.154  -4.491
  344   3HD2  LEU  43           HD23     LEU  43  -6.945  17.705  -4.401
  345    H    GLY  44           HN       GLY  44  -8.042  13.335  -7.336
  346   1HA   GLY  44           HA2      GLY  44  -6.390  11.712  -7.021
  347   2HA   GLY  44           HA1      GLY  44  -5.812  12.214  -8.608
  348    HA   PRO  45           HA       PRO  45  -3.514  14.656  -4.907
  349   1HB   PRO  45           HB2      PRO  45  -2.944  12.494  -3.148
  350   2HB   PRO  45           HB1      PRO  45  -3.937  13.916  -2.813
  351   1HG   PRO  45           HG2      PRO  45  -4.772  11.179  -3.281
  352   2HG   PRO  45           HG1      PRO  45  -5.726  12.551  -2.710
  353   1HD   PRO  45           HD2      PRO  45  -5.934  11.322  -5.218
  354   2HD   PRO  45           HD1      PRO  45  -6.631  12.879  -4.754
  355    H    ARG  46           HN       ARG  46  -2.762  11.164  -4.890
  356    HA   ARG  46           HA       ARG  46  -0.758  11.226  -6.902
  357   1HB   ARG  46           HB2      ARG  46   0.318  12.752  -5.164
  358   2HB   ARG  46           HB1      ARG  46   0.425  11.339  -4.115
  359   1HG   ARG  46           HG2      ARG  46   2.521  11.430  -5.235
  360   2HG   ARG  46           HG1      ARG  46   1.610  10.174  -6.075
  361   1HD   ARG  46           HD2      ARG  46   0.847  12.051  -7.672
  362   2HD   ARG  46           HD1      ARG  46   2.152  13.008  -6.968
  363    HE   ARG  46           HE       ARG  46   3.393  10.638  -7.687
  364   1HH1  ARG  46           HH21     ARG  46   1.389  12.980  -9.250
  365   2HH1  ARG  46           HH22     ARG  46   2.101  12.738 -10.809
  366   1HH2  ARG  46           HH12     ARG  46   4.322  10.312  -9.719
  367   2HH2  ARG  46           HH11     ARG  46   3.761  11.233 -11.074
  368    H    CYS  47           HN       CYS  47  -1.616   9.877  -3.713
  369    HA   CYS  47           HA       CYS  47  -0.451   7.317  -4.165
  370   1HB   CYS  47           HB2      CYS  47  -2.967   7.663  -2.531
  371   2HB   CYS  47           HB1      CYS  47  -1.657   6.547  -2.258
  372    H    ILE  48           HN       ILE  48  -3.365   8.772  -5.388
  373    HA   ILE  48           HA       ILE  48  -4.644   6.279  -5.976
  374    HB   ILE  48           HB       ILE  48  -6.069   7.589  -7.492
  375   1HG1  ILE  48           HG12     ILE  48  -5.472  10.172  -7.438
  376   2HG1  ILE  48           HG11     ILE  48  -3.832   9.569  -7.248
  377   1HG2  ILE  48           HG23     ILE  48  -5.368   9.055  -4.939
  378   2HG2  ILE  48           HG22     ILE  48  -6.851   9.290  -5.862
  379   3HG2  ILE  48           HG21     ILE  48  -6.525   7.736  -5.099
  380   1HD1  ILE  48           HD12     ILE  48  -5.108   8.037  -9.298
  381   2HD1  ILE  48           HD11     ILE  48  -5.383   9.745  -9.640
  382   3HD1  ILE  48           HD13     ILE  48  -3.739   9.136  -9.457
  383    H    LYS  49           HN       LYS  49  -2.659   8.447  -8.071
  384    HA   LYS  49           HA       LYS  49  -2.663   6.596 -10.273
  385   1HB   LYS  49           HB2      LYS  49  -1.727   9.182  -9.835
  386   2HB   LYS  49           HB1      LYS  49  -0.256   8.242 -10.086
  387   1HG   LYS  49           HG2      LYS  49  -1.352   7.256 -12.144
  388   2HG   LYS  49           HG1      LYS  49  -2.645   8.437 -11.936
  389   1HD   LYS  49           HD2      LYS  49  -0.129   9.797 -11.735
  390   2HD   LYS  49           HD1      LYS  49  -0.124   8.819 -13.203
  391   1HE   LYS  49           HE2      LYS  49  -2.618   9.854 -13.357
  392   2HE   LYS  49           HE1      LYS  49  -1.807  11.162 -12.496
  393   1HZ   LYS  49           HZ3      LYS  49  -0.855   9.937 -15.029
  394   2HZ   LYS  49           HZ2      LYS  49  -1.677  11.419 -14.910
  395   3HZ   LYS  49           HZ1      LYS  49  -0.136  11.240 -14.217
  396    H    ALA  50           HN       ALA  50  -0.031   7.391  -7.963
  397    HA   ALA  50           HA       ALA  50   1.758   5.330  -8.680
  398   1HB   ALA  50           HB2      ALA  50   2.253   7.097  -6.967
  399   2HB   ALA  50           HB1      ALA  50   1.168   6.263  -5.854
  400   3HB   ALA  50           HB3      ALA  50   2.642   5.469  -6.405
  401    H    PHE  51           HN       PHE  51  -0.540   5.301  -6.015
  402    HA   PHE  51           HA       PHE  51  -0.182   2.525  -5.624
  403   1HB   PHE  51           HB2      PHE  51  -1.201   2.944  -3.722
  404   2HB   PHE  51           HB1      PHE  51  -1.201   4.614  -4.162
  405    HD1  PHE  51           HD1      PHE  51  -3.548   4.076  -6.338
  406    HD2  PHE  51           HD2      PHE  51  -2.988   3.223  -2.197
  407    HE1  PHE  51           HE1      PHE  51  -5.992   3.984  -6.021
  408    HE2  PHE  51           HE2      PHE  51  -5.431   3.146  -1.871
  409    HZ   PHE  51           HZ       PHE  51  -6.937   3.527  -3.796
  410    H    THR  52           HN       THR  52  -1.933   4.172  -8.004
  411    HA   THR  52           HA       THR  52  -4.144   2.307  -8.285
  412    HB   THR  52           HB       THR  52  -3.032   4.570  -9.880
  413    HG1  THR  52           HG1      THR  52  -5.060   5.228  -9.686
  414   1HG2  THR  52           HG23     THR  52  -4.504   2.246 -11.139
  415   2HG2  THR  52           HG22     THR  52  -4.534   3.867 -11.833
  416   3HG2  THR  52           HG21     THR  52  -3.005   3.003 -11.679
  417    H    GLU  53           HN       GLU  53  -1.142   2.814 -10.186
  418    HA   GLU  53           HA       GLU  53  -1.416   0.262 -11.546
  419   1HB   GLU  53           HB2      GLU  53   1.264   1.547 -11.081
  420   2HB   GLU  53           HB1      GLU  53   0.651   0.747 -12.528
  421   1HG   GLU  53           HG2      GLU  53  -1.076   2.706 -12.582
  422   2HG   GLU  53           HG1      GLU  53   0.074   3.523 -11.522
  423    H    CYS  54           HN       CYS  54   0.117   1.315  -8.563
  424    HA   CYS  54           HA       CYS  54   1.491  -1.168  -8.047
  425   1HB   CYS  54           HB2      CYS  54   2.275   0.625  -6.797
  426   2HB   CYS  54           HB1      CYS  54   0.662   1.225  -6.421
  427    H    CYS  55           HN       CYS  55  -1.181   0.070  -6.072
  428    HA   CYS  55           HA       CYS  55  -2.125  -2.242  -4.968
  429   1HB   CYS  55           HB2      CYS  55  -3.081   0.123  -4.777
  430   2HB   CYS  55           HB1      CYS  55  -4.056  -0.258  -6.188
  431    H    VAL  56           HN       VAL  56  -3.245  -1.073  -8.195
  432    HA   VAL  56           HA       VAL  56  -4.904  -3.261  -8.766
  433    HB   VAL  56           HB       VAL  56  -4.621  -2.765 -11.142
  434   1HG1  VAL  56           HG12     VAL  56  -4.966  -0.613  -9.120
  435   2HG1  VAL  56           HG11     VAL  56  -4.769  -0.100 -10.796
  436   3HG1  VAL  56           HG13     VAL  56  -6.085  -1.188 -10.356
  437   1HG2  VAL  56           HG23     VAL  56  -2.179  -1.348 -10.133
  438   2HG2  VAL  56           HG22     VAL  56  -2.338  -2.430 -11.513
  439   3HG2  VAL  56           HG21     VAL  56  -2.968  -0.785 -11.604
  440    H    VAL  57           HN       VAL  57  -1.399  -3.000  -9.777
  441    HA   VAL  57           HA       VAL  57  -1.288  -5.652 -10.763
  442    HB   VAL  57           HB       VAL  57   0.667  -4.224 -11.001
  443   1HG1  VAL  57           HG13     VAL  57   0.597  -4.284  -7.992
  444   2HG1  VAL  57           HG12     VAL  57   2.124  -4.035  -8.833
  445   3HG1  VAL  57           HG11     VAL  57   0.797  -2.901  -9.062
  446   1HG2  VAL  57           HG22     VAL  57   0.683  -6.908  -9.944
  447   2HG2  VAL  57           HG21     VAL  57   1.769  -6.190 -11.132
  448   3HG2  VAL  57           HG23     VAL  57   2.130  -6.055  -9.411
  449    H    ALA  58           HN       ALA  58  -1.172  -4.491  -7.430
  450    HA   ALA  58           HA       ALA  58  -0.414  -6.858  -6.117
  451   1HB   ALA  58           HB2      ALA  58  -1.317  -4.401  -5.296
  452   2HB   ALA  58           HB1      ALA  58  -2.691  -5.427  -4.887
  453   3HB   ALA  58           HB3      ALA  58  -1.097  -5.781  -4.221
  454    H    SER  59           HN       SER  59  -3.659  -5.769  -7.077
  455    HA   SER  59           HA       SER  59  -4.969  -8.242  -6.358
  456   1HB   SER  59           HB2      SER  59  -6.257  -6.833  -8.547
  457   2HB   SER  59           HB1      SER  59  -6.832  -7.095  -6.902
  458    HG   SER  59           HG       SER  59  -6.113  -5.183  -6.351
  459    H    GLN  60           HN       GLN  60  -4.597  -6.896  -9.628
  460    HA   GLN  60           HA       GLN  60  -5.152  -9.093 -11.139
  461   1HB   GLN  60           HB2      GLN  60  -3.346  -6.785 -11.492
  462   2HB   GLN  60           HB1      GLN  60  -3.006  -8.160 -12.543
  463   1HG   GLN  60           HG2      GLN  60  -4.629  -6.604 -13.585
  464   2HG   GLN  60           HG1      GLN  60  -5.346  -8.189 -13.293
  465   1HE2  GLN  60           HE22     GLN  60  -6.887  -4.934 -11.448
  466   2HE2  GLN  60           HE21     GLN  60  -5.613  -4.808 -12.562
  467    H    LEU  61           HN       LEU  61  -1.719  -8.378 -10.368
  468    HA   LEU  61           HA       LEU  61  -0.835 -10.989 -11.096
  469   1HB   LEU  61           HB2      LEU  61   1.249 -10.141 -10.765
  470   2HB   LEU  61           HB1      LEU  61   0.408  -8.617 -10.570
  471    HG   LEU  61           HG       LEU  61   0.229  -9.369  -8.075
  472   1HD1  LEU  61           HD12     LEU  61   2.395 -11.116  -9.187
  473   2HD1  LEU  61           HD11     LEU  61   2.467 -10.562  -7.515
  474   3HD1  LEU  61           HD13     LEU  61   1.107 -11.542  -8.060
  475   1HD2  LEU  61           HD23     LEU  61   2.411  -8.083  -9.591
  476   2HD2  LEU  61           HD22     LEU  61   1.457  -7.454  -8.248
  477   3HD2  LEU  61           HD21     LEU  61   2.802  -8.551  -7.937
  478    H    ARG  62           HN       ARG  62  -1.563  -9.764  -7.761
  479    HA   ARG  62           HA       ARG  62  -0.822 -12.368  -6.715
  480   1HB   ARG  62           HB2      ARG  62  -2.590 -10.283  -5.397
  481   2HB   ARG  62           HB1      ARG  62  -1.755 -11.609  -4.593
  482   1HG   ARG  62           HG2      ARG  62   0.166 -10.151  -6.137
  483   2HG   ARG  62           HG1      ARG  62  -0.751  -9.004  -5.160
  484   1HD   ARG  62           HD2      ARG  62   0.002 -11.459  -3.732
  485   2HD   ARG  62           HD1      ARG  62   1.380 -10.490  -4.245
  486    HE   ARG  62           HE       ARG  62  -0.308  -9.910  -2.037
  487   1HH1  ARG  62           HH21     ARG  62   0.994  -8.323  -4.826
  488   2HH1  ARG  62           HH22     ARG  62   0.715  -6.736  -4.196
  489   1HH2  ARG  62           HH12     ARG  62  -0.649  -7.850  -1.218
  490   2HH2  ARG  62           HH11     ARG  62  -0.204  -6.468  -2.163
  491    H    ALA  63           HN       ALA  63  -4.061 -10.843  -6.708
  492    HA   ALA  63           HA       ALA  63  -5.685 -12.934  -6.104
  493   1HB   ALA  63           HB2      ALA  63  -6.275 -10.566  -7.040
  494   2HB   ALA  63           HB1      ALA  63  -6.347 -11.389  -8.598
  495   3HB   ALA  63           HB3      ALA  63  -7.415 -11.889  -7.286
  496    H    ASN  64           HN       ASN  64  -3.842 -12.656  -9.105
  497    HA   ASN  64           HA       ASN  64  -3.898 -15.462  -9.589
  498   1HB   ASN  64           HB2      ASN  64  -6.327 -14.257 -10.263
  499   2HB   ASN  64           HB1      ASN  64  -5.476 -14.417 -11.802
  500   1HD2  ASN  64           HD22     ASN  64  -6.844 -17.716 -11.758
  501   2HD2  ASN  64           HD21     ASN  64  -7.018 -16.159 -12.411
  502    H    ILE  65           HN       ILE  65  -1.679 -14.196  -9.782
  503    HA   ILE  65           HA       ILE  65  -1.023 -12.593 -11.989
  504    HB   ILE  65           HB       ILE  65   1.162 -14.304 -11.889
  505   1HG1  ILE  65           HG12     ILE  65   0.299 -13.959  -9.049
  506   2HG1  ILE  65           HG11     ILE  65  -0.232 -15.387  -9.940
  507   1HG2  ILE  65           HG22     ILE  65   0.778 -11.709 -11.562
  508   2HG2  ILE  65           HG21     ILE  65   0.862 -12.131  -9.860
  509   3HG2  ILE  65           HG23     ILE  65   2.223 -12.479 -10.911
  510   1HD1  ILE  65           HD12     ILE  65   2.666 -14.523  -9.752
  511   2HD1  ILE  65           HD11     ILE  65   1.931 -15.689  -8.651
  512   3HD1  ILE  65           HD13     ILE  65   2.042 -16.052 -10.373
  513    H    SER  66           HN       SER  66  -2.172 -13.136 -13.851
  514    HA   SER  66           HA       SER  66  -1.218 -15.609 -15.224
  515   1HB   SER  66           HB2      SER  66  -3.637 -15.537 -16.270
  516   2HB   SER  66           HB1      SER  66  -3.386 -16.297 -14.701
  517    HG   SER  66           HG       SER  66  -5.145 -14.740 -14.817
  518    H    HIS  67           HN       HIS  67  -2.745 -12.414 -15.543
  519    HA   HIS  67           HA       HIS  67  -2.029 -12.272 -18.394
  520   1HB   HIS  67           HB2      HIS  67  -3.275 -10.263 -16.494
  521   2HB   HIS  67           HB1      HIS  67  -2.982  -9.949 -18.205
  522    HD1  HIS  67           HD1      HIS  67  -5.878  -9.989 -17.132
  523    HD2  HIS  67           HD2      HIS  67  -3.969 -13.323 -18.750
  524    HE1  HIS  67           HE1      HIS  67  -7.709 -11.554 -17.913
  525    H    LYS  68           HN       LYS  68  -1.193  -9.601 -18.606
  526    HA   LYS  68           HA       LYS  68   1.605  -9.866 -17.856
  527   1HB   LYS  68           HB2      LYS  68   0.115  -7.485 -19.003
  528   2HB   LYS  68           HB1      LYS  68   1.867  -7.671 -18.935
  529   1HG   LYS  68           HG2      LYS  68   1.036 -10.024 -20.141
  530   2HG   LYS  68           HG1      LYS  68  -0.051  -8.816 -20.827
  531   1HD   LYS  68           HD2      LYS  68   2.844  -8.115 -20.644
  532   2HD   LYS  68           HD1      LYS  68   2.364  -9.281 -21.878
  533   1HE   LYS  68           HE2      LYS  68   0.446  -7.194 -21.946
  534   2HE   LYS  68           HE1      LYS  68   2.031  -6.422 -21.888
  535   1HZ   LYS  68           HZ3      LYS  68   1.899  -8.690 -23.656
  536   2HZ   LYS  68           HZ2      LYS  68   0.870  -7.416 -24.110
  537   3HZ   LYS  68           HZ1      LYS  68   2.537  -7.141 -23.925
  538    H    ASP  69           HN       ASP  69   2.766  -8.382 -16.454
  539    HA   ASP  69           HA       ASP  69   1.323  -7.765 -14.015
  540   1HB   ASP  69           HB2      ASP  69   3.493  -6.841 -13.253
  541   2HB   ASP  69           HB1      ASP  69   3.694  -8.437 -13.977
  542    H    MET  70           HN       MET  70   2.532  -5.248 -13.329
  543    HA   MET  70           HA       MET  70   1.716  -3.321 -15.387
  544   1HB   MET  70           HB2      MET  70  -0.304  -4.229 -13.811
  545   2HB   MET  70           HB1      MET  70   0.279  -2.883 -12.831
  546   1HG   MET  70           HG2      MET  70   0.273  -1.725 -15.289
  547   2HG   MET  70           HG1      MET  70  -1.071  -2.852 -15.467
  548   1HE   MET  70           HE2      MET  70   0.089   0.398 -14.545
  549   2HE   MET  70           HE1      MET  70  -1.351   0.389 -15.560
  550   3HE   MET  70           HE3      MET  70  -1.386   1.177 -13.977
  551    H    CYS  71           HN       CYS  71   1.831  -3.115 -11.823
  552    HA   CYS  71           HA       CYS  71   4.358  -1.579 -12.010
  553   1HB   CYS  71           HB2      CYS  71   1.691  -0.475 -11.420
  554   2HB   CYS  71           HB1      CYS  71   2.933  -0.014 -10.253
  555   1H    CYS  72           HN3      CYS  72   4.301   4.188 -11.883
  556   2H    CYS  72           HN2      CYS  72   2.889   3.256 -12.038
  557   3H    CYS  72           HN1      CYS  72   2.784   4.894 -11.601
  558    HA   CYS  72           HA       CYS  72   2.446   3.611  -9.639
  559   1HB   CYS  72           HB2      CYS  72   4.827   2.342  -9.110
  560   2HB   CYS  72           HB1      CYS  72   3.340   1.561  -9.616
  561    H    LEU  73           HN       LEU  73   5.946   3.995 -10.179
  562    HA   LEU  73           HA       LEU  73   6.616   5.242  -7.831
  563   1HB   LEU  73           HB2      LEU  73   8.530   6.193  -8.943
  564   2HB   LEU  73           HB1      LEU  73   8.186   4.653  -9.729
  565    HG   LEU  73           HG       LEU  73   6.652   6.742 -10.992
  566   1HD1  LEU  73           HD11     LEU  73   9.595   7.245 -10.560
  567   2HD1  LEU  73           HD13     LEU  73   8.771   7.847 -11.998
  568   3HD1  LEU  73           HD12     LEU  73   8.252   8.376 -10.397
  569   1HD2  LEU  73           HD23     LEU  73   8.272   4.446 -11.625
  570   2HD2  LEU  73           HD22     LEU  73   7.070   5.253 -12.631
  571   3HD2  LEU  73           HD21     LEU  73   8.748   5.794 -12.658
  572    H    GLY  74           HN       GLY  74   6.846   7.496  -7.179
  573   1HA   GLY  74           HA2      GLY  74   4.645   9.175  -8.238
  574   2HA   GLY  74           HA1      GLY  74   5.518   9.452  -6.731
  575   1HN   DAR  75           HN       ARG  75   8.147   9.067  -8.055
  576    HA   DAR  75           HA       ARG  75   9.733  10.322  -9.264
  577   1HB   DAR  75           HB1      ARG  75   7.951  12.476  -8.094
  578   2HB   DAR  75           HB2      ARG  75   9.494  12.809  -8.882
  579   1HG   DAR  75           HG1      ARG  75  10.488  12.418  -6.897
  580   2HG   DAR  75           HG2      ARG  75  10.027  10.728  -7.073
  581   1HD   DAR  75           HD1      ARG  75   9.250  11.791  -4.912
  582   2HD   DAR  75           HD2      ARG  75   7.963  11.094  -5.891
  583    HNE  DAR  75           HE       ARG  75   6.989  13.186  -5.995
  584   1HH1  DAR  75           HH11     ARG  75   6.967  15.392  -6.399
  585   2HH1  DAR  75           HH12     ARG  75   8.449  16.286  -6.355
  586   1HH2  DAR  75           HH21     ARG  75  10.397  13.540  -5.552
  587   2HH2  DAR  75           HH22     ARG  75  10.387  15.236  -5.890
   
  No H/Q in entry =         587