*HEADER   CELL ADHESION                           09-JAN-97   1KJS    
*TITLE    NMR SOLUTION STRUCTURE OF C5A AT PH 5.2, 303K, 20 STRUCTURES
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: C5A;                                             
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: COMPLEMENT C5A;                                   
*COMPND  5 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                            
*KEYWDS   AGGREGATION, CHEMOTAXIS, CELL ADHESION, GP AGONIST, C5A     
*KEYWDS  2 RECEPTOR AGONIST                                           
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   X.ZHANG,W.BOYAR,M.TOTH,L.WENNOGLE,N.C.GONNELLA              
*REVDAT  1   15-MAY-97 1KJS    0                                      

assign (resid    1   and name HB1   ) (resid    4   and name HA    )   2.89  0.99  2.11
assign (resid    1   and name HB2   ) (resid    1   and name HA    )   2.95  1.05  0.85
assign (resid    1   and name HA    ) (resid    2   and name HB1   )   2.95  1.05  2.05
assign (resid    1   and name HE+   ) (resid    4   and name HG1   )   3.30  1.40  2.50
assign (resid    1   and name HB1   ) (resid    4   and name HG1   )   3.30  1.40  0.50
assign (resid    1   and name HG1   ) (resid    1   and name HA    )   2.70  0.80  0.10
assign (resid    1   and name HG1   ) (resid    1   and name HB1   )   2.65  0.75  0.15
assign (resid    1   and name HG1   ) (resid    1   and name HE+   )   2.65  0.75  1.15
assign (resid    1   and name HA    ) (resid   73   and name HN    )   2.57  0.67  2.43
assign (resid    1   and name HA    ) (resid    2   and name HN    )   3.84  1.94  1.16
assign (resid    1   and name HN    ) (resid    2   and name HN    )   3.00  0.00  1.00
assign (resid    1   and name HA    ) (resid    3   and name HN    )   2.00  0.00  1.00
assign (resid    1   and name HA    ) (resid    4   and name HN    )   3.00  0.00  1.00
assign (resid    1   and name HB1   ) (resid    3   and name HN    )   2.00  0.00  1.00
assign (resid    1   and name HB1   ) (resid    4   and name HN    )   3.00  0.00  1.00
assign (resid    2   and name HD2+  ) (resid    2   and name HN    )   4.09  2.19  1.91
assign (resid    2   and name HN    ) (resid   72   and name HD2+  )   4.09  2.19  1.91
assign (resid    2   and name HN    ) (resid    3   and name HB1   )   3.99  2.09  1.01
assign (resid    2   and name HG    ) (resid    2   and name HN    )   3.10  1.20  1.90
assign (resid    2   and name HD1+  ) (resid   72   and name HB2   )   2.56  0.66  2.44
assign (resid    2   and name HA    ) (resid    3   and name HN    )   2.64  0.74  1.16
assign (resid    2   and name HA    ) (resid   73   and name HN    )   3.14  1.24  0.66
assign (resid    2   and name HD1+  ) (resid   73   and name HN    )   3.14  1.24  2.86
assign (resid    2   and name HN    ) (resid    3   and name HN    )   2.60  0.00  1.60
assign (resid    3   and name HG1   ) (resid    3   and name HA    )   2.60  0.70  2.40
assign (resid    3   and name HN    ) (resid   72   and name HA    )   2.64  0.74  2.36
assign (resid    3   and name HN    ) (resid   74   and name HG1   )   3.07  1.17  1.93
assign (resid    3   and name HN    ) (resid   73   and name HN    )   3.49  1.59  1.51
assign (resid    3   and name HN    ) (resid    5   and name HN    )   4.13  2.23  0.87
assign (resid    3   and name HN    ) (resid    4   and name HN    )   4.13  2.23  0.87
assign (resid    3   and name HG2   ) (resid    3   and name HE21  )   4.05  2.15  0.95
assign (resid    3   and name HN    ) (resid    4   and name HA    )   3.81  1.91  1.19
assign (resid    3   and name HG2   ) (resid    3   and name HE22  )   3.55  1.65  1.45
assign (resid    3   and name HB2   ) (resid    6   and name HN    )   2.94  1.04  1.86
assign (resid    3   and name HA    ) (resid    3   and name HN    )   3.23  1.33  1.57
assign (resid    3   and name HA    ) (resid    6   and name HN    )   3.49  1.59  1.31
assign (resid    3   and name HA    ) (resid    5   and name HN    )   2.83  0.93  2.17
assign (resid    3   and name HB1   ) (resid    7   and name HN    )   2.79  0.89  2.21
assign (resid    3   and name HG2   ) (resid    3   and name HN    )   3.45  1.55  1.55
assign (resid    3   and name HG1   ) (resid    3   and name HN    )   3.23  1.33  1.77
assign (resid    3   and name HA    ) (resid    4   and name HN    )   2.83  0.93  1.97
assign (resid    3   and name HN    ) (resid   72   and name HG    )   3.10  1.20  1.70
assign (resid    3   and name HA    ) (resid    6   and name HB    )   2.00  0.00  3.00
assign (resid    4   and name HE1   ) (resid    8   and name HA    )   3.24  1.34  1.76
assign (resid    4   and name HA    ) (resid    5   and name HN    )   3.14  1.24  0.66
assign (resid    4   and name HA    ) (resid    7   and name HG2   )   3.96  2.06  1.04
assign (resid    4   and name HA    ) (resid    4   and name HN    )   3.14  1.24  0.66
assign (resid    4   and name HE1   ) (resid    8   and name HN    )   3.38  1.48  0.42
assign (resid    4   and name HN    ) (resid    7   and name HN    )   4.36  2.46  0.64
assign (resid    4   and name HN    ) (resid    5   and name HA    )   2.83  0.93  2.17
assign (resid    4   and name HN    ) (resid    6   and name HG12  )   3.67  1.77  1.33
assign (resid    4   and name HD2   ) (resid    4   and name HA    )   3.25  1.35  1.75
assign (resid    4   and name HB1   ) (resid    4   and name HE1   )   3.69  1.79  0.11
assign (resid    4   and name HN    ) (resid    5   and name HN    )   2.50  0.00  0.60
assign (resid    4   and name HA    ) (resid    7   and name HN    )   3.00  0.00  1.00
assign (resid    4   and name HA    ) (resid    7   and name HB1   )   3.00  0.00  2.00
assign (resid    5   and name HA    ) (resid    5   and name HN    )   2.83  0.93  0.97
assign (resid    5   and name HG2   ) (resid    8   and name HG2   )   3.54  1.64  1.46
assign (resid    5   and name HG1   ) (resid    5   and name HN    )   3.67  1.77  0.13
assign (resid    5   and name HD1   ) (resid   61   and name HD1+  )   2.64  0.74  2.36
assign (resid    5   and name HN    ) (resid    6   and name HG12  )   3.67  1.77  1.33
assign (resid    5   and name HA    ) (resid    6   and name HN    )   3.49  1.59  0.31
assign (resid    5   and name HG1   ) (resid    8   and name HG2   )   3.34  1.44  1.66
assign (resid    5   and name HA    ) (resid    8   and name HN    )   3.05  1.15  0.75
assign (resid    5   and name HB1   ) (resid    6   and name HG12  )   3.17  1.27  0.63
assign (resid    5   and name HN    ) (resid    7   and name HN    )   4.36  2.46  0.64
assign (resid    5   and name HB1   ) (resid    5   and name HG1   )   3.17  1.27  0.63
assign (resid    5   and name HB1   ) (resid    5   and name HA    )   2.97  1.07  0.83
assign (resid    5   and name HD1   ) (resid    5   and name HG2   )   3.56  1.66  0.24
assign (resid    5   and name HG1   ) (resid    6   and name HN    )   3.42  1.52  1.58
assign (resid    6   and name HA    ) (resid    8   and name HG2   )   3.39  1.49  0.41
assign (resid    6   and name HD1+  ) (resid   58   and name HA    )   2.66  0.76  1.14
assign (resid    6   and name HB    ) (resid    6   and name HG11  )   3.54  1.64  0.26
assign (resid    6   and name HN    ) (resid    7   and name HN    )   3.12  1.22  0.68
assign (resid    6   and name HA    ) (resid    6   and name HN    )   3.26  1.36  0.54
assign (resid    6   and name HN    ) (resid    8   and name HN    )   3.17  1.27  0.63
assign (resid    6   and name HG12  ) (resid    8   and name HG2   )   3.34  1.44  1.66
assign (resid    6   and name HD1+  ) (resid   58   and name HN    )   3.29  1.39  1.51
assign (resid    6   and name HB    ) (resid    6   and name HG12  )   3.34  1.44  0.46
assign (resid    6   and name HA    ) (resid    7   and name HN    )   3.87  1.97  1.13
assign (resid    6   and name HA    ) (resid    8   and name HN    )   4.32  2.42  0.68
assign (resid    6   and name HN    ) (resid    7   and name HA    )   4.31  2.41  0.69
assign (resid    6   and name HG11  ) (resid   54   and name HB1   )   4.07  2.17  0.93
assign (resid    6   and name HD1+  ) (resid   54   and name HB1   )   3.06  1.16  1.74
assign (resid    6   and name HA    ) (resid   10   and name HN    )   3.76  1.86  1.24
assign (resid    6   and name HB    ) (resid    8   and name HN    )   2.87  0.97  2.13
assign (resid    6   and name HG12  ) (resid    6   and name HA    )   3.50  1.60  0.30
assign (resid    6   and name HG2+  ) (resid    6   and name HA    )   2.99  1.09  1.81
assign (resid    6   and name HN    ) (resid   61   and name HD1+  )   3.27  1.37  1.73
assign (resid    6   and name HG11  ) (resid    6   and name HN    )   3.50  1.60  0.30
assign (resid    6   and name HD1+  ) (resid    6   and name HN    )   3.27  1.37  1.73
assign (resid    6   and name HG12  ) (resid    6   and name HN    )   3.42  1.52  0.38
assign (resid    6   and name HB    ) (resid    6   and name HA    )   3.39  1.49  0.41
assign (resid    6   and name HB    ) (resid    6   and name HN    )   2.95  1.05  0.85
assign (resid    6   and name HN    ) (resid    8   and name HG2   )   2.95  1.05  0.85
assign (resid    6   and name HD1+  ) (resid   57   and name HB    )   2.26  0.36  2.74
assign (resid    6   and name HA    ) (resid    9   and name HN    )   3.00  0.00  1.00
assign (resid    6   and name HA    ) (resid    9   and name HB    )   3.00  0.00  1.00
assign (resid    6   and name HD1+  ) (resid   58   and name HB+   )   2.00  0.00  2.00
assign (resid    7   and name HA    ) (resid    9   and name HN    )   4.31  2.41  0.69
assign (resid    7   and name HA    ) (resid    7   and name HN    )   2.93  1.03  0.87
assign (resid    7   and name HA    ) (resid    8   and name HA    )   2.70  0.80  2.30
assign (resid    7   and name HB1   ) (resid    7   and name HN    )   2.97  1.07  0.83
assign (resid    7   and name HN    ) (resid    8   and name HA    )   3.28  1.38  1.72
assign (resid    7   and name HB2   ) (resid    7   and name HN    )   3.44  1.54  0.36
assign (resid    7   and name HG2   ) (resid    7   and name HB2   )   2.38  0.48  0.42
assign (resid    7   and name HN    ) (resid    9   and name HN    )   3.12  1.22  1.88
assign (resid    7   and name HA    ) (resid    8   and name HN    )   3.67  1.77  0.13
assign (resid    7   and name HA    ) (resid   11   and name HN    )   4.10  2.20  0.90
assign (resid    7   and name HA    ) (resid   10   and name HN    )   3.65  1.75  0.15
assign (resid    7   and name HA    ) (resid   10   and name HB+   )   2.00  0.00  2.00
assign (resid    8   and name HA    ) (resid    8   and name HN    )   3.05  1.15  0.75
assign (resid    8   and name HB1   ) (resid    8   and name HN    )   3.22  1.32  0.58
assign (resid    8   and name HN    ) (resid   10   and name HN    )   4.20  2.30  0.80
assign (resid    8   and name HG2   ) (resid    9   and name HN    )   2.95  1.05  0.85
assign (resid    8   and name HA    ) (resid    9   and name HN    )   3.59  1.69  0.21
assign (resid    8   and name HG1   ) (resid   12   and name HN    )   2.97  1.07  2.03
assign (resid    8   and name HG1   ) (resid    8   and name HA    )   3.34  1.44  0.46
assign (resid    8   and name HB1   ) (resid    8   and name HA    )   2.86  0.96  0.94
assign (resid    8   and name HG2   ) (resid    8   and name HN    )   2.87  0.97  0.93
assign (resid    8   and name HG1   ) (resid    8   and name HN    )   3.32  1.42  0.48
assign (resid    8   and name HA    ) (resid   11   and name HN    )   3.54  1.64  0.26
assign (resid    8   and name HA    ) (resid   11   and name HB+   )   2.73  0.83  1.07
assign (resid    8   and name HN    ) (resid    9   and name HN    )   3.17  1.27  0.63
assign (resid    8   and name HG2   ) (resid    9   and name HA    )   3.50  1.60  1.50
assign (resid    8   and name HB2   ) (resid    8   and name HA    )   2.73  0.83  0.07
assign (resid    8   and name HG2   ) (resid    8   and name HA    )   2.65  0.75  1.15
assign (resid    9   and name HD1+  ) (resid    9   and name HA    )   2.65  0.75  1.15
assign (resid    9   and name HD1+  ) (resid    9   and name HN    )   3.27  1.37  1.73
assign (resid    9   and name HA    ) (resid   11   and name HN    )   3.93  2.03  1.07
assign (resid    9   and name HB    ) (resid    9   and name HG2+  )   2.72  0.82  0.08
assign (resid    9   and name HA    ) (resid   12   and name HB2   )   3.71  1.81  1.29
assign (resid    9   and name HD1+  ) (resid   13   and name HD1   )   3.85  1.95  2.15
assign (resid    9   and name HA    ) (resid   10   and name HN    )   3.63  1.73  0.17
assign (resid    9   and name HB    ) (resid    9   and name HN    )   2.94  1.04  0.86
assign (resid    9   and name HG2+  ) (resid    9   and name HA    )   2.83  0.93  1.97
assign (resid    9   and name HA    ) (resid    9   and name HN    )   3.22  1.32  0.58
assign (resid    9   and name HA    ) (resid   12   and name HN    )   3.74  1.84  0.06
assign (resid    9   and name HN    ) (resid   10   and name HN    )   2.99  1.09  0.81
assign (resid    9   and name HG2+  ) (resid    9   and name HN    )   3.42  1.52  1.38
assign (resid    9   and name HG2+  ) (resid   10   and name HN    )   3.42  1.52  1.38
assign (resid    9   and name HA    ) (resid   12   and name HB1   )   2.50  0.00  2.00
assign (resid    9   and name HG2+  ) (resid   10   and name HA    )   2.00  0.00  2.50
assign (resid    9   and name HG2+  ) (resid   53   and name HB1   )   3.00  0.00  3.00
assign (resid    9   and name HG2+  ) (resid   53   and name HG1   )   2.00  0.00  3.00
assign (resid    9   and name HG2+  ) (resid   54   and name HB1   )   2.00  0.00  3.00
assign (resid    9   and name HD1+  ) (resid   13   and name HA    )   3.00  0.00  2.00
assign (resid   10   and name HB+   ) (resid   10   and name HN    )   2.69  0.79  1.11
assign (resid   10   and name HA    ) (resid   13   and name HN    )   3.69  1.79  1.31
assign (resid   10   and name HN    ) (resid   11   and name HN    )   3.22  1.32  0.58
assign (resid   10   and name HB+   ) (resid   12   and name HN    )   3.57  1.67  1.43
assign (resid   10   and name HB+   ) (resid   22   and name HB2   )   3.84  1.94  3.16
assign (resid   10   and name HB+   ) (resid   19   and name HA    )   3.46  1.56  1.54
assign (resid   10   and name HA    ) (resid   11   and name HN    )   3.85  1.95  1.15
assign (resid   10   and name HA    ) (resid   10   and name HN    )   3.06  1.16  0.74
assign (resid   10   and name HB+   ) (resid   11   and name HA    )   3.67  1.77  1.33
assign (resid   10   and name HB+   ) (resid   11   and name HN    )   3.43  1.53  1.37
assign (resid   10   and name HA    ) (resid   19   and name HA    )   3.00  0.00  1.00
assign (resid   10   and name HB+   ) (resid   22   and name HB1   )   3.00  0.00  3.00
assign (resid   11   and name HA    ) (resid   11   and name HN    )   2.95  1.05  0.85
assign (resid   11   and name HB+   ) (resid   13   and name HN    )   2.88  0.98  2.12
assign (resid   11   and name HB+   ) (resid   12   and name HN    )   2.88  0.98  1.92
assign (resid   11   and name HB+   ) (resid   11   and name HN    )   2.77  0.87  1.03
assign (resid   11   and name HN    ) (resid   13   and name HN    )   3.30  1.40  1.70
assign (resid   11   and name HN    ) (resid   12   and name HN    )   3.30  1.40  0.50
assign (resid   12   and name HA    ) (resid   13   and name HN    )   2.84  0.94  0.96
assign (resid   12   and name HA    ) (resid   12   and name HN    )   2.84  0.94  0.96
assign (resid   12   and name HD1   ) (resid   12   and name HG1   )   2.82  0.92  0.98
assign (resid   12   and name HG1   ) (resid   13   and name HN    )   3.34  1.44  0.46
assign (resid   12   and name HG1   ) (resid   12   and name HN    )   3.34  1.44  0.46
assign (resid   12   and name HD1   ) (resid   13   and name HN    )   3.32  1.42  1.68
assign (resid   12   and name HB2   ) (resid   13   and name HN    )   3.08  1.18  1.92
assign (resid   12   and name HB2   ) (resid   12   and name HN    )   3.08  1.18  0.72
assign (resid   12   and name HA    ) (resid   13   and name HB2   )   4.16  2.26  0.84
assign (resid   12   and name HD1   ) (resid   12   and name HN    )   3.32  1.42  1.68
assign (resid   12   and name HD1   ) (resid   13   and name HD1   )   4.48  2.58  0.52
assign (resid   12   and name HD1   ) (resid   12   and name HA    )   3.14  1.24  1.86
assign (resid   12   and name HN    ) (resid   13   and name HN    )   2.90  0.00  0.60
assign (resid   13   and name HB1   ) (resid   13   and name HD1   )   4.01  2.11  0.99
assign (resid   13   and name HD1   ) (resid   18   and name HB    )   4.27  2.37  0.73
assign (resid   13   and name HD1   ) (resid   18   and name HG2+  )   3.43  1.53  1.57
assign (resid   13   and name HB1   ) (resid   19   and name HA    )   3.73  1.83  1.27
assign (resid   13   and name HB1   ) (resid   18   and name HA    )   3.47  1.57  1.53
assign (resid   13   and name HB1   ) (resid   13   and name HN    )   3.57  1.67  0.23
assign (resid   13   and name HB2   ) (resid   18   and name HN    )   3.81  1.91  1.19
assign (resid   13   and name HB1   ) (resid   13   and name HA    )   3.86  1.96  1.14
assign (resid   13   and name HB1   ) (resid   19   and name HN    )   4.13  2.23  0.87
assign (resid   13   and name HB2   ) (resid   19   and name HN    )   4.14  2.24  0.86
assign (resid   13   and name HE1   ) (resid   13   and name HD1   )   2.37  0.47  0.43
assign (resid   13   and name HB2   ) (resid   13   and name HN    )   3.23  1.33  0.57
assign (resid   13   and name HB2   ) (resid   13   and name HD1   )   3.42  1.52  0.38
assign (resid   13   and name HB2   ) (resid   18   and name HG2+  )   3.67  1.77  1.33
assign (resid   13   and name HB1   ) (resid   14   and name HA    )   3.21  1.31  1.79
assign (resid   13   and name HD1   ) (resid   18   and name HG1+  )   3.85  1.95  2.15
assign (resid   13   and name HA    ) (resid   13   and name HN    )   3.53  1.63  0.27
assign (resid   13   and name HA    ) (resid   13   and name HD1   )   3.97  2.07  1.03
assign (resid   13   and name HN    ) (resid   14   and name HN    )   3.60  0.00  0.80
assign (resid   13   and name HA    ) (resid   14   and name HN    )   2.00  0.00  2.00
assign (resid   13   and name HA    ) (resid   18   and name HG1+  )   2.00  0.00  3.00
assign (resid   13   and name HB1   ) (resid   18   and name HB    )   2.00  0.00  3.00
assign (resid   13   and name HB1   ) (resid   18   and name HG1+  )   2.00  0.00  4.00
assign (resid   14   and name HN    ) (resid   15   and name HN    )   3.00  0.00  1.00
assign (resid   14   and name HA    ) (resid   15   and name HN    )   2.00  0.00  2.00
assign (resid   14   and name HB1   ) (resid   15   and name HD1   )   2.00  0.00  3.00
assign (resid   15   and name HB2   ) (resid   15   and name HN    )   3.39  1.49  0.41
assign (resid   15   and name HB2   ) (resid   18   and name HG1+  )   3.55  1.65  1.45
assign (resid   15   and name HA    ) (resid   15   and name HN    )   3.89  1.99  1.11
assign (resid   15   and name HB1   ) (resid   15   and name HN    )   3.54  1.64  0.26
assign (resid   15   and name HB1   ) (resid   18   and name HG1+  )   3.44  1.54  1.56
assign (resid   15   and name HB1   ) (resid   18   and name HG2+  )   4.42  2.52  1.58
assign (resid   15   and name HB2   ) (resid   18   and name HB    )   3.81  1.91  1.19
assign (resid   15   and name HB1   ) (resid   18   and name HB    )   3.54  1.64  0.26
assign (resid   15   and name HN    ) (resid   16   and name HN    )   3.00  0.00  1.00
assign (resid   15   and name HA    ) (resid   16   and name HN    )   2.00  0.00  1.00
assign (resid   15   and name HB1   ) (resid   17   and name HN    )   3.00  0.00  2.00
assign (resid   15   and name HD1   ) (resid   18   and name HG2+  )   3.00  0.00  2.00
assign (resid   16   and name HB2   ) (resid   16   and name HN    )   3.47  1.57  0.33
assign (resid   16   and name HN    ) (resid   17   and name HN    )   3.30  0.00  0.80
assign (resid   17   and name HG2+  ) (resid   18   and name HN    )   3.77  1.87  1.23
assign (resid   17   and name HA    ) (resid   17   and name HN    )   3.40  1.50  0.40
assign (resid   17   and name HG2+  ) (resid   17   and name HA    )   2.87  0.97  1.93
assign (resid   17   and name HA    ) (resid   18   and name HN    )   4.00  2.10  1.00
assign (resid   17   and name HG1+  ) (resid   17   and name HA    )   2.72  0.82  1.08
assign (resid   17   and name HA    ) (resid   20   and name HN    )   3.59  1.69  0.21
assign (resid   17   and name HG1+  ) (resid   18   and name HN    )   3.96  2.06  2.04
assign (resid   17   and name HG2+  ) (resid   17   and name HN    )   3.53  1.63  1.27
assign (resid   17   and name HG1+  ) (resid   17   and name HG2+  )   2.54  0.64  2.26
assign (resid   17   and name HG1+  ) (resid   17   and name HN    )   2.92  1.02  2.08
assign (resid   17   and name HB    ) (resid   17   and name HG2+  )   2.72  0.82  0.08
assign (resid   17   and name HN    ) (resid   18   and name HN    )   3.55  1.65  0.25
assign (resid   17   and name HB    ) (resid   17   and name HN    )   3.16  1.26  0.64
assign (resid   17   and name HA    ) (resid   20   and name HB1   )   2.90  1.00  2.10
assign (resid   17   and name HB    ) (resid   17   and name HA    )   2.90  1.00  0.90
assign (resid   17   and name HN    ) (resid   19   and name HN    )   3.00  0.00  1.00
assign (resid   17   and name HA    ) (resid   20   and name HE1   )   3.00  0.00  2.00
assign (resid   17   and name HG1+  ) (resid   18   and name HA    )   3.00  0.00  3.40
assign (resid   17   and name HG1+  ) (resid   20   and name HG1   )   3.00  0.00  4.40
assign (resid   17   and name HG1+  ) (resid   20   and name HE1   )   3.00  0.00  4.40
assign (resid   18   and name HG1+  ) (resid   46   and name HG1   )   2.73  0.83  2.27
assign (resid   18   and name HA    ) (resid   18   and name HN    )   3.65  1.75  0.15
assign (resid   18   and name HG2+  ) (resid   46   and name HA    )   3.64  1.74  1.36
assign (resid   18   and name HG1+  ) (resid   19   and name HN    )   3.37  1.47  1.63
assign (resid   18   and name HB    ) (resid   19   and name HN    )   3.53  1.63  0.27
assign (resid   18   and name HN    ) (resid   19   and name HN    )   3.25  1.35  0.55
assign (resid   18   and name HB    ) (resid   18   and name HN    )   3.27  1.37  0.53
assign (resid   18   and name HA    ) (resid   21   and name HB1   )   3.21  1.31  0.59
assign (resid   18   and name HA    ) (resid   21   and name HN    )   3.48  1.58  0.32
assign (resid   18   and name HB    ) (resid   18   and name HG1+  )   2.92  1.02  0.88
assign (resid   18   and name HG2+  ) (resid   19   and name HN    )   3.73  1.83  1.27
assign (resid   18   and name HA    ) (resid   19   and name HN    )   4.01  2.11  0.99
assign (resid   18   and name HB    ) (resid   18   and name HA    )   2.84  0.94  0.96
assign (resid   18   and name HA    ) (resid   21   and name HB2   )   3.93  2.03  1.07
assign (resid   18   and name HG1+  ) (resid   18   and name HA    )   3.06  1.16  1.74
assign (resid   18   and name HG2+  ) (resid   18   and name HA    )   3.16  1.26  1.64
assign (resid   18   and name HG2+  ) (resid   18   and name HN    )   3.79  1.89  1.01
assign (resid   18   and name HG1+  ) (resid   47   and name HA    )   2.69  0.79  2.31
assign (resid   18   and name HB    ) (resid   18   and name HG2+  )   2.94  1.04  0.86
assign (resid   18   and name HG1+  ) (resid   18   and name HN    )   3.00  1.10  2.00
assign (resid   18   and name HG2+  ) (resid   46   and name HB1   )   3.45  1.55  0.35
assign (resid   18   and name HG1+  ) (resid   50   and name HN    )   3.00  0.00  2.00
assign (resid   18   and name HG1+  ) (resid   50   and name HA    )   2.00  0.00  2.00
assign (resid   18   and name HG1+  ) (resid   50   and name HB+   )   2.00  0.00  3.00
assign (resid   19   and name HA    ) (resid   22   and name HB1   )   3.49  1.59  0.31
assign (resid   19   and name HA    ) (resid   22   and name HN    )   3.71  1.81  0.09
assign (resid   19   and name HA    ) (resid   20   and name HN    )   3.85  1.95  1.15
assign (resid   19   and name HN    ) (resid   20   and name HN    )   3.47  1.57  0.33
assign (resid   19   and name HB2   ) (resid   19   and name HE1   )   2.73  0.83  1.07
assign (resid   19   and name HB2   ) (resid   19   and name HG2   )   3.35  1.45  0.45
assign (resid   19   and name HA    ) (resid   19   and name HN    )   3.23  1.33  0.57
assign (resid   19   and name HG1   ) (resid   19   and name HA    )   3.48  1.58  0.32
assign (resid   19   and name HB1   ) (resid   19   and name HN    )   3.01  1.11  0.79
assign (resid   19   and name HB1   ) (resid   19   and name HG2   )   3.56  1.66  0.24
assign (resid   19   and name HG1   ) (resid   19   and name HN    )   3.64  1.74  1.36
assign (resid   19   and name HA    ) (resid   23   and name HN    )   4.11  2.21  0.89
assign (resid   19   and name HA    ) (resid   22   and name HB2   )   3.43  1.53  1.57
assign (resid   19   and name HB1   ) (resid   23   and name HD1   )   3.90  2.00  1.10
assign (resid   20   and name HA    ) (resid   24   and name HN    )   3.87  1.97  1.13
assign (resid   20   and name HG1   ) (resid   24   and name HN    )   4.20  2.30  0.80
assign (resid   20   and name HA    ) (resid   23   and name HD1   )   4.08  2.18  0.92
assign (resid   20   and name HB1   ) (resid   20   and name HG1   )   3.30  1.40  0.50
assign (resid   20   and name HA    ) (resid   22   and name HN    )   4.45  2.55  0.55
assign (resid   20   and name HB1   ) (resid   23   and name HD1   )   4.38  2.48  0.62
assign (resid   20   and name HA    ) (resid   20   and name HN    )   3.13  1.23  0.67
assign (resid   20   and name HB2   ) (resid   20   and name HE1   )   3.19  1.29  0.61
assign (resid   20   and name HA    ) (resid   23   and name HB2   )   3.44  1.54  0.36
assign (resid   20   and name HG1   ) (resid   20   and name HE1   )   3.00  1.10  0.80
assign (resid   20   and name HG1   ) (resid   24   and name HB2   )   2.91  1.01  2.09
assign (resid   20   and name HB1   ) (resid   20   and name HN    )   3.09  1.19  0.71
assign (resid   20   and name HN    ) (resid   21   and name HN    )   3.35  1.45  0.45
assign (resid   20   and name HA    ) (resid   23   and name HN    )   3.29  1.39  0.51
assign (resid   20   and name HG1   ) (resid   20   and name HN    )   3.69  1.79  1.31
assign (resid   20   and name HA    ) (resid   23   and name HB1   )   3.24  1.34  0.56
assign (resid   20   and name HA    ) (resid   23   and name HE1   )   3.00  1.10  2.00
assign (resid   20   and name HG1   ) (resid   20   and name HA    )   3.09  1.19  0.71
assign (resid   20   and name HA    ) (resid   21   and name HN    )   3.00  0.00  1.00
assign (resid   21   and name HN    ) (resid   22   and name HN    )   3.31  1.41  0.49
assign (resid   21   and name HA    ) (resid   22   and name HN    )   4.00  2.10  1.00
assign (resid   21   and name HB1   ) (resid   22   and name HN    )   3.87  1.97  1.13
assign (resid   21   and name HA    ) (resid   24   and name HN    )   3.97  2.07  1.03
assign (resid   21   and name HB2   ) (resid   21   and name HN    )   3.68  1.78  0.12
assign (resid   21   and name HA    ) (resid   24   and name HB2   )   3.87  1.97  1.13
assign (resid   21   and name HA    ) (resid   47   and name HA    )   4.01  2.11  0.99
assign (resid   21   and name HA    ) (resid   22   and name HA    )   4.01  2.11  0.99
assign (resid   21   and name HB1   ) (resid   51   and name HN    )   3.98  2.08  1.02
assign (resid   21   and name HB1   ) (resid   47   and name HA    )   3.75  1.85  0.05
assign (resid   21   and name HB2   ) (resid   50   and name HN    )   3.82  1.92  1.18
assign (resid   21   and name HB2   ) (resid   51   and name HN    )   3.94  2.04  1.06
assign (resid   21   and name HA    ) (resid   21   and name HN    )   3.26  1.36  0.54
assign (resid   21   and name HB1   ) (resid   51   and name HB1   )   4.40  2.50  0.60
assign (resid   21   and name HN    ) (resid   50   and name HB+   )   3.99  2.09  2.01
assign (resid   21   and name HB1   ) (resid   51   and name HB2   )   4.29  2.39  0.71
assign (resid   21   and name HB1   ) (resid   21   and name HN    )   3.56  1.66  0.24
assign (resid   21   and name HB2   ) (resid   21   and name HA    )   3.35  1.45  0.45
assign (resid   21   and name HB1   ) (resid   22   and name HA    )   3.75  1.85  1.25
assign (resid   21   and name HB1   ) (resid   50   and name HB+   )   2.79  0.89  2.01
assign (resid   21   and name HN    ) (resid   24   and name HN    )   3.36  1.46  1.64
assign (resid   21   and name cb    ) (resid   47   and name SG    )   3.00  0.00  0.10
assign (resid   21   and name SG    ) (resid   47   and name cb    )   3.00  0.00  0.10
assign (resid   21   and name SG    ) (resid   47   and name SG    )   2.00  0.00  0.10
assign (resid   22   and name HB1   ) (resid   50   and name HB+   )   3.43  1.53  1.57
assign (resid   22   and name HA    ) (resid   54   and name HN    )   2.91  1.01  2.09
assign (resid   22   and name HB2   ) (resid   23   and name HN    )   3.27  1.37  1.73
assign (resid   22   and name HB1   ) (resid   23   and name HN    )   3.52  1.62  0.28
assign (resid   22   and name HN    ) (resid   23   and name HN    )   3.32  1.42  0.48
assign (resid   22   and name HN    ) (resid   23   and name HA    )   3.73  1.83  1.27
assign (resid   22   and name HN    ) (resid   47   and name HA    )   3.73  1.83  1.27
assign (resid   22   and name HA    ) (resid   54   and name HB1   )   3.26  1.36  0.54
assign (resid   22   and name HB2   ) (resid   22   and name HN    )   3.11  1.21  0.69
assign (resid   22   and name HB1   ) (resid   22   and name HN    )   3.46  1.56  0.34
assign (resid   22   and name HB2   ) (resid   50   and name HB+   )   3.50  1.60  2.30
assign (resid   22   and name HA    ) (resid   54   and name HA    )   3.14  1.24  1.86
assign (resid   22   and name HA    ) (resid   26   and name HN    )   3.48  1.58  0.32
assign (resid   22   and name HB1   ) (resid   22   and name HA    )   3.23  1.33  0.57
assign (resid   22   and name HB2   ) (resid   22   and name HA    )   3.34  1.44  0.46
assign (resid   22   and name HN    ) (resid   50   and name HB+   )   3.75  1.85  1.05
assign (resid   22   and name HA    ) (resid   51   and name HB2   )   3.21  1.31  1.79
assign (resid   22   and name cb    ) (resid   54   and name SG    )   3.00  0.00  0.10
assign (resid   22   and name SG    ) (resid   54   and name cb    )   3.00  0.00  0.10
assign (resid   22   and name SG    ) (resid   54   and name SG    )   2.00  0.00  0.10
assign (resid   23   and name HA    ) (resid   23   and name HE1   )   2.83  0.93  2.17
assign (resid   23   and name HA    ) (resid   24   and name HN    )   3.65  1.75  0.15
assign (resid   23   and name HN    ) (resid   24   and name HN    )   3.38  1.48  0.42
assign (resid   23   and name HB2   ) (resid   23   and name HN    )   3.31  1.41  0.49
assign (resid   23   and name HE1   ) (resid   23   and name HD1   )   2.34  0.44  0.46
assign (resid   23   and name HB1   ) (resid   23   and name HN    )   3.22  1.32  0.58
assign (resid   23   and name HA    ) (resid   23   and name HD1   )   3.91  2.01  1.09
assign (resid   23   and name HB2   ) (resid   23   and name HE1   )   3.08  1.18  1.92
assign (resid   23   and name HB1   ) (resid   23   and name HE1   )   3.12  1.22  1.88
assign (resid   23   and name HB2   ) (resid   23   and name HD1   )   4.42  2.52  0.58
assign (resid   23   and name HB1   ) (resid   23   and name HD1   )   3.82  1.92  1.18
assign (resid   23   and name HD1   ) (resid   23   and name HE1   )   2.25  0.35  0.55
assign (resid   23   and name HA    ) (resid   23   and name HN    )   3.02  1.12  0.78
assign (resid   23   and name HB2   ) (resid   24   and name HN    )   3.53  1.63  0.27
assign (resid   23   and name HA    ) (resid   26   and name HN    )   3.00  0.00  1.00
assign (resid   24   and name HB1   ) (resid   27   and name HN    )   3.19  1.29  1.81
assign (resid   24   and name HB2   ) (resid   28   and name HA    )   4.16  2.26  0.84
assign (resid   24   and name HB1   ) (resid   35   and name HG2   )   3.74  1.84  1.26
assign (resid   24   and name HA    ) (resid   24   and name HN    )   3.14  1.24  0.66
assign (resid   24   and name HN    ) (resid   51   and name HA    )   3.65  1.75  1.35
assign (resid   24   and name HB1   ) (resid   24   and name HN    )   3.07  1.17  0.73
assign (resid   24   and name HB1   ) (resid   25   and name HN    )   3.53  1.63  0.27
assign (resid   24   and name HB2   ) (resid   25   and name HA1   )   2.45  0.55  2.55
assign (resid   24   and name HB2   ) (resid   25   and name HN    )   3.70  1.80  0.10
assign (resid   24   and name HB2   ) (resid   24   and name HN    )   3.29  1.39  0.51
assign (resid   24   and name HA    ) (resid   27   and name HN    )   4.03  2.13  0.97
assign (resid   24   and name HN    ) (resid   25   and name HN    )   3.36  1.46  0.44
assign (resid   24   and name HB1   ) (resid   28   and name HA    )   3.33  1.43  1.67
assign (resid   24   and name HB1   ) (resid   24   and name HA    )   3.12  1.22  0.68
assign (resid   24   and name HA    ) (resid   26   and name HN    )   3.50  0.00  1.00
assign (resid   25   and name HA1   ) (resid   51   and name HA    )   3.02  1.12  0.78
assign (resid   25   and name HN    ) (resid   26   and name HN    )   3.88  1.98  1.12
assign (resid   25   and name HA1   ) (resid   51   and name HN    )   3.12  1.22  1.88
assign (resid   25   and name HN    ) (resid   55   and name HB1   )   3.53  1.63  1.47
assign (resid   25   and name HA1   ) (resid   55   and name HB2   )   3.47  1.57  0.33
assign (resid   25   and name HN    ) (resid   51   and name HB2   )   3.13  1.23  0.67
assign (resid   25   and name HA1   ) (resid   25   and name HN    )   3.13  1.23  0.67
assign (resid   25   and name HA2   ) (resid   26   and name HN    )   3.89  1.99  1.11
assign (resid   25   and name HA1   ) (resid   51   and name HB1   )   2.87  0.97  2.13
assign (resid   25   and name HA2   ) (resid   25   and name HN    )   3.30  1.40  0.50
assign (resid   25   and name HA1   ) (resid   55   and name HN    )   3.51  1.61  0.29
assign (resid   26   and name HA    ) (resid   27   and name HN    )   3.81  1.91  1.19
assign (resid   26   and name HA    ) (resid   26   and name HN    )   3.21  1.31  0.59
assign (resid   26   and name HA    ) (resid   58   and name HN    )   3.70  1.80  1.30
assign (resid   26   and name HB+   ) (resid   26   and name HA    )   2.40  0.50  1.40
assign (resid   26   and name HA    ) (resid   28   and name HN    )   3.41  1.51  0.39
assign (resid   26   and name HB+   ) (resid   26   and name HN    )   2.79  0.89  1.01
assign (resid   26   and name HN    ) (resid   27   and name HN    )   3.35  1.45  0.45
assign (resid   26   and name HN    ) (resid   54   and name HA    )   4.25  2.35  0.75
assign (resid   26   and name HB+   ) (resid   27   and name HA    )   3.00  0.00  2.00
assign (resid   26   and name HB+   ) (resid   54   and name HB1   )   2.00  0.00  3.00
assign (resid   27   and name HB2   ) (resid   28   and name HA    )   3.33  1.43  1.67
assign (resid   27   and name HA    ) (resid   28   and name HN    )   2.92  1.02  0.88
assign (resid   27   and name HN    ) (resid   28   and name HN    )   3.77  1.87  0.03
assign (resid   27   and name HB1   ) (resid   27   and name HN    )   3.29  1.39  0.51
assign (resid   27   and name HB1   ) (resid   28   and name HN    )   3.75  1.85  1.25
assign (resid   27   and name HB2   ) (resid   27   and name HN    )   3.19  1.29  0.61
assign (resid   27   and name HA    ) (resid   27   and name HN    )   3.39  1.49  0.41
assign (resid   27   and name HA    ) (resid   28   and name HG1+  )   3.00  0.00  3.40
assign (resid   28   and name HG1+  ) (resid   28   and name HA    )   2.51  0.61  1.29
assign (resid   28   and name HG1+  ) (resid   55   and name HA    )   2.51  0.61  1.29
assign (resid   28   and name HB    ) (resid   28   and name HG1+  )   2.55  0.65  0.25
assign (resid   28   and name HB    ) (resid   28   and name HA    )   2.95  1.05  0.85
assign (resid   28   and name HG1+  ) (resid   62   and name HD1   )   3.47  1.57  1.53
assign (resid   28   and name HG1+  ) (resid   29   and name HN    )   3.14  1.24  2.86
assign (resid   28   and name HN    ) (resid   62   and name HE    )   3.77  1.87  1.23
assign (resid   28   and name HB    ) (resid   28   and name HN    )   3.13  1.23  0.67
assign (resid   28   and name HB    ) (resid   55   and name HA    )   2.95  1.05  0.85
assign (resid   28   and name HA    ) (resid   55   and name HB2   )   3.23  1.33  1.77
assign (resid   28   and name HG2+  ) (resid   32   and name HN    )   3.29  1.39  2.51
assign (resid   28   and name HG1+  ) (resid   62   and name HE    )   4.26  2.36  1.74
assign (resid   28   and name HG1+  ) (resid   58   and name HB+   )   3.30  1.40  1.50
assign (resid   28   and name HN    ) (resid   29   and name HN    )   4.36  2.46  0.64
assign (resid   28   and name HA    ) (resid   35   and name HN    )   3.66  1.76  1.34
assign (resid   28   and name HA    ) (resid   29   and name HN    )   2.57  0.67  0.23
assign (resid   28   and name HG1+  ) (resid   28   and name HN    )   2.81  0.91  1.99
assign (resid   28   and name HN    ) (resid   55   and name HA    )   3.41  1.51  1.59
assign (resid   28   and name HG1+  ) (resid   59   and name HN    )   4.14  2.24  1.86
assign (resid   28   and name HA    ) (resid   28   and name HN    )   3.41  1.51  0.39
assign (resid   28   and name HG1+  ) (resid   62   and name HE*   )   2.50  0.00  3.50
assign (resid   28   and name HG2+  ) (resid   62   and name HE*   )   2.50  0.00  3.50
assign (resid   28   and name HG1+  ) (resid   59   and name HA    )   3.00  0.00  3.00
assign (resid   29   and name HA    ) (resid   30   and name HN    )   4.30  2.40  0.70
assign (resid   29   and name HN    ) (resid   30   and name HN    )   3.54  1.64  1.46
assign (resid   30   and name HB2   ) (resid   30   and name HN    )   3.47  1.57  1.53
assign (resid   30   and name HB1   ) (resid   30   and name HD22  )   3.83  1.93  1.17
assign (resid   30   and name HN    ) (resid   31   and name HN    )   3.54  1.64  1.46
assign (resid   30   and name HD22  ) (resid   31   and name HB1   )   3.55  1.65  1.45
assign (resid   30   and name HD21  ) (resid   31   and name HB1   )   3.27  1.37  1.73
assign (resid   30   and name HB1   ) (resid   30   and name HD21  )   3.47  1.57  1.53
assign (resid   30   and name HB1   ) (resid   31   and name HN    )   3.74  1.84  1.26
assign (resid   30   and name HA    ) (resid   31   and name HN    )   2.30  0.00  2.70
assign (resid   31   and name HA    ) (resid   31   and name HN    )   3.54  1.64  1.46
assign (resid   31   and name HB1   ) (resid   31   and name HN    )   3.25  1.35  1.75
assign (resid   31   and name HN    ) (resid   32   and name HN    )   3.11  1.21  1.89
assign (resid   31   and name HA    ) (resid   32   and name HN    )   2.00  0.00  3.00
assign (resid   32   and name HA    ) (resid   32   and name HN    )   3.56  1.66  1.44
assign (resid   32   and name HA    ) (resid   34   and name HN    )   2.97  1.07  2.53
assign (resid   32   and name HB1   ) (resid   34   and name HN    )   3.90  2.00  1.10
assign (resid   32   and name HB1   ) (resid   32   and name HN    )   3.40  1.50  1.60
assign (resid   32   and name HB2   ) (resid   32   and name HN    )   3.70  1.80  1.30
assign (resid   32   and name HB2   ) (resid   33   and name HN    )   4.49  2.59  0.51
assign (resid   32   and name HN    ) (resid   33   and name HN    )   3.50  0.00  2.50
assign (resid   32   and name HA    ) (resid   33   and name HN    )   2.30  0.00  2.70
assign (resid   33   and name HG2+  ) (resid   37   and name HN    )   4.05  2.15  1.95
assign (resid   33   and name HA    ) (resid   36   and name HN    )   3.50  1.60  1.50
assign (resid   33   and name HA    ) (resid   33   and name HN    )   2.63  0.73  2.37
assign (resid   33   and name HN    ) (resid   34   and name HN    )   4.50  2.60  0.50
assign (resid   33   and name HA    ) (resid   35   and name HN    )   3.90  2.00  1.10
assign (resid   33   and name HB    ) (resid   33   and name HN    )   3.35  1.45  1.65
assign (resid   33   and name HA    ) (resid   34   and name HN    )   3.51  1.61  1.49
assign (resid   33   and name HG2+  ) (resid   36   and name HN    )   4.03  2.13  1.97
assign (resid   33   and name HG2+  ) (resid   33   and name HN    )   3.39  1.49  2.61
assign (resid   33   and name HG2+  ) (resid   34   and name HN    )   2.91  1.01  2.89
assign (resid   33   and name HB    ) (resid   36   and name HN    )   3.81  1.91  1.19
assign (resid   34   and name HA    ) (resid   36   and name HN    )   3.50  1.60  1.50
assign (resid   34   and name HA    ) (resid   35   and name HN    )   3.90  2.00  1.10
assign (resid   34   and name HA    ) (resid   34   and name HN    )   3.51  1.61  1.49
assign (resid   34   and name HB2   ) (resid   36   and name HN    )   3.33  1.43  1.67
assign (resid   34   and name HN    ) (resid   37   and name HN    )   4.07  2.17  0.93
assign (resid   34   and name HB2   ) (resid   37   and name HN    )   3.53  1.63  1.47
assign (resid   34   and name HA    ) (resid   38   and name HN    )   4.13  2.23  0.87
assign (resid   34   and name HA    ) (resid   37   and name HB1   )   3.53  1.63  1.47
assign (resid   34   and name HN    ) (resid   35   and name HN    )   4.62  2.72  0.38
assign (resid   35   and name HA    ) (resid   35   and name HN    )   3.34  1.44  1.66
assign (resid   35   and name HG2   ) (resid   38   and name HN    )   3.75  1.85  1.25
assign (resid   35   and name HB1   ) (resid   51   and name HE1   )   3.26  1.36  1.74
assign (resid   35   and name HG2   ) (resid   51   and name HD1   )   3.09  1.19  1.91
assign (resid   35   and name HB1   ) (resid   51   and name HD1   )   3.27  1.37  1.73
assign (resid   35   and name HG2   ) (resid   35   and name HA    )   3.35  1.45  1.65
assign (resid   35   and name HG2   ) (resid   36   and name HN    )   3.67  1.77  1.33
assign (resid   35   and name HN    ) (resid   37   and name HN    )   3.34  1.44  1.66
assign (resid   35   and name HB1   ) (resid   35   and name HA    )   3.03  1.13  1.77
assign (resid   35   and name HB1   ) (resid   38   and name HN    )   3.31  1.41  1.69
assign (resid   35   and name HA    ) (resid   38   and name HN    )   3.76  1.86  1.24
assign (resid   35   and name HG2   ) (resid   35   and name HN    )   3.53  1.63  1.47
assign (resid   35   and name HG1   ) (resid   35   and name HB1   )   2.51  0.61  2.49
assign (resid   35   and name HN    ) (resid   38   and name HN    )   3.20  1.30  1.80
assign (resid   35   and name HB1   ) (resid   35   and name HN    )   2.97  1.07  2.03
assign (resid   35   and name HN    ) (resid   36   and name HN    )   2.00  0.00  3.00
assign (resid   35   and name HA    ) (resid   36   and name HN    )   3.00  1.00  2.00
assign (resid   36   and name HG1   ) (resid   36   and name HA    )   2.90  1.00  2.10
assign (resid   36   and name HG2   ) (resid   36   and name HE22  )   2.97  1.07  2.03
assign (resid   36   and name HA    ) (resid   37   and name HN    )   2.90  1.00  2.10
assign (resid   36   and name HA    ) (resid   36   and name HN    )   2.97  1.07  2.03
assign (resid   36   and name HG1   ) (resid   37   and name HN    )   3.26  1.36  1.74
assign (resid   36   and name HG2   ) (resid   37   and name HN    )   3.05  1.15  1.95
assign (resid   36   and name HA    ) (resid   39   and name HN    )   3.40  1.50  1.60
assign (resid   36   and name HN    ) (resid   37   and name HN    )   3.33  1.43  1.67
assign (resid   36   and name HG2   ) (resid   36   and name HE21  )   3.22  1.32  1.78
assign (resid   36   and name HA    ) (resid   38   and name HN    )   3.45  1.55  1.55
assign (resid   36   and name HB1   ) (resid   36   and name HN    )   3.07  1.17  1.93
assign (resid   36   and name HB2   ) (resid   36   and name HN    )   3.24  1.34  1.76
assign (resid   36   and name HB2   ) (resid   36   and name HA    )   2.80  0.90  1.20
assign (resid   37   and name HG2   ) (resid   37   and name HN    )   3.05  1.15  1.95
assign (resid   37   and name HA    ) (resid   37   and name HN    )   2.90  1.00  1.90
assign (resid   37   and name HA    ) (resid   39   and name HN    )   3.40  1.50  1.60
assign (resid   37   and name HB1   ) (resid   37   and name HN    )   3.26  1.36  1.74
assign (resid   37   and name HB1   ) (resid   38   and name HN    )   3.31  1.41  1.69
assign (resid   37   and name HG2   ) (resid   37   and name HA    )   2.77  0.87  2.23
assign (resid   37   and name HA    ) (resid   38   and name HN    )   3.45  1.55  1.55
assign (resid   37   and name HB1   ) (resid   37   and name HA    )   2.90  1.00  2.10
assign (resid   37   and name HN    ) (resid   38   and name HN    )   2.30  0.00  2.70
assign (resid   38   and name HA    ) (resid   40   and name HN    )   4.00  2.10  1.00
assign (resid   38   and name HB+   ) (resid   39   and name HA    )   2.42  0.52  3.58
assign (resid   38   and name HB+   ) (resid   39   and name HN    )   2.45  0.55  3.55
assign (resid   38   and name HN    ) (resid   39   and name HN    )   3.12  1.22  1.88
assign (resid   38   and name HA    ) (resid   39   and name HN    )   3.54  1.64  1.46
assign (resid   38   and name HA    ) (resid   38   and name HN    )   3.13  1.23  1.87
assign (resid   38   and name HB+   ) (resid   41   and name HD1+  )   2.50  0.00  3.50
assign (resid   39   and name HB+   ) (resid   39   and name HA    )   2.42  0.52  2.58
assign (resid   39   and name HB+   ) (resid   40   and name HN    )   3.39  1.49  2.61
assign (resid   39   and name HA    ) (resid   40   and name HN    )   3.74  1.84  1.26
assign (resid   39   and name HB+   ) (resid   40   and name HA    )   3.91  2.01  2.09
assign (resid   39   and name HA    ) (resid   39   and name HN    )   2.81  0.91  2.19
assign (resid   39   and name HB+   ) (resid   39   and name HN    )   2.45  0.55  2.55
assign (resid   39   and name HN    ) (resid   40   and name HN    )   3.09  1.19  1.71
assign (resid   40   and name HB1   ) (resid   40   and name HA    )   2.58  0.68  1.22
assign (resid   40   and name HD1   ) (resid   40   and name HA    )   4.06  2.16  0.94
assign (resid   40   and name HD2   ) (resid   40   and name HA    )   4.15  2.25  0.85
assign (resid   40   and name HG1   ) (resid   40   and name HD2   )   3.20  1.30  0.60
assign (resid   40   and name HN    ) (resid   41   and name HN    )   3.01  1.11  0.79
assign (resid   40   and name HA    ) (resid   41   and name HN    )   3.59  1.69  0.21
assign (resid   40   and name HB2   ) (resid   40   and name HA    )   2.95  1.05  0.85
assign (resid   40   and name HG1   ) (resid   40   and name HA    )   3.01  1.11  0.79
assign (resid   40   and name HB1   ) (resid   41   and name HG2+  )   3.03  1.13  2.97
assign (resid   40   and name HG1   ) (resid   41   and name HN    )   4.06  2.16  0.94
assign (resid   40   and name HA    ) (resid   40   and name HN    )   3.32  1.42  0.48
assign (resid   40   and name HG1   ) (resid   40   and name HD1   )   3.39  1.49  0.41
assign (resid   40   and name HB2   ) (resid   40   and name HN    )   3.53  1.63  0.27
assign (resid   40   and name HB1   ) (resid   40   and name HN    )   3.10  1.20  0.70
assign (resid   40   and name HG1   ) (resid   40   and name HN    )   3.56  1.66  1.44
assign (resid   40   and name HB1   ) (resid   41   and name HA    )   3.90  2.00  1.10
assign (resid   40   and name HB1   ) (resid   40   and name HD2   )   3.20  1.30  0.60
assign (resid   40   and name HA    ) (resid   42   and name HB1   )   4.22  2.32  0.78
assign (resid   40   and name HA    ) (resid   41   and name HA    )   4.28  2.38  0.72
assign (resid   40   and name HB1   ) (resid   41   and name HN    )   3.78  1.88  0.02
assign (resid   41   and name HD1+  ) (resid   51   and name HE1   )   3.95  2.05  2.05
assign (resid   41   and name HN    ) (resid   42   and name HN    )   4.48  2.58  0.52
assign (resid   41   and name HD1+  ) (resid   48   and name HA    )   3.32  1.42  1.48
assign (resid   41   and name HG2+  ) (resid   51   and name HE1   )   3.44  1.54  1.36
assign (resid   41   and name HG2+  ) (resid   41   and name HA    )   2.68  0.78  1.12
assign (resid   41   and name HG2+  ) (resid   41   and name HN    )   3.05  1.15  1.75
assign (resid   41   and name HD1+  ) (resid   43   and name HN    )   4.32  2.42  1.68
assign (resid   41   and name HD1+  ) (resid   41   and name HA    )   3.50  1.60  1.30
assign (resid   41   and name HA    ) (resid   43   and name HN    )   3.93  2.03  1.07
assign (resid   41   and name HA    ) (resid   42   and name HN    )   3.16  1.26  0.64
assign (resid   41   and name HG2+  ) (resid   47   and name HB1   )   3.94  2.04  2.06
assign (resid   41   and name HA    ) (resid   41   and name HN    )   3.42  1.52  0.38
assign (resid   41   and name HG2+  ) (resid   42   and name HN    )   3.53  1.63  1.47
assign (resid   41   and name HG2+  ) (resid   41   and name HD1+  )   2.54  0.64  2.26
assign (resid   41   and name HD1+  ) (resid   52   and name HN    )   4.46  2.56  1.54
assign (resid   41   and name HD1+  ) (resid   41   and name HN    )   2.97  1.07  2.03
assign (resid   41   and name HD1+  ) (resid   48   and name HN    )   4.29  2.39  1.71
assign (resid   41   and name HA    ) (resid   42   and name HA    )   3.00  0.00  1.00
assign (resid   41   and name HB    ) (resid   48   and name HA    )   2.00  0.00  2.00
assign (resid   41   and name HB    ) (resid   48   and name HD1+  )   2.50  0.00  2.00
assign (resid   41   and name HG2+  ) (resid   42   and name HA    )   3.00  0.00  2.00
assign (resid   41   and name HG2+  ) (resid   51   and name HZ    )   3.00  0.00  2.00
assign (resid   41   and name HD1+  ) (resid   44   and name HN    )   3.00  0.00  2.00
assign (resid   41   and name HD1+  ) (resid   51   and name HB1   )   2.00  0.00  4.00
assign (resid   41   and name HD1+  ) (resid   51   and name HZ    )   2.00  0.00  2.00
assign (resid   42   and name HA    ) (resid   42   and name HB1   )   3.56  1.66  0.24
assign (resid   42   and name HN    ) (resid   43   and name HG    )   4.23  2.33  0.77
assign (resid   42   and name HB2   ) (resid   42   and name HN    )   4.38  2.48  0.62
assign (resid   42   and name HA    ) (resid   43   and name HN    )   4.17  2.27  0.83
assign (resid   42   and name HB1   ) (resid   42   and name HN    )   3.87  1.97  1.13
assign (resid   42   and name HN    ) (resid   43   and name HN    )   3.75  1.85  0.05
assign (resid   42   and name HB2   ) (resid   44   and name HN    )   3.39  1.49  1.61
assign (resid   42   and name HA    ) (resid   42   and name HN    )   4.37  2.47  0.63
assign (resid   42   and name HA    ) (resid   43   and name HA    )   3.00  0.00  1.00
assign (resid   42   and name HA    ) (resid   48   and name HD1+  )   2.00  0.00  3.00
assign (resid   43   and name HD1+  ) (resid   43   and name HN    )   3.71  1.81  1.09
assign (resid   43   and name HA    ) (resid   44   and name HN    )   3.37  1.47  0.43
assign (resid   43   and name HB1   ) (resid   43   and name HN    )   3.32  1.42  0.48
assign (resid   43   and name HB2   ) (resid   43   and name HN    )   3.32  1.42  0.48
assign (resid   43   and name HA    ) (resid   44   and name HA2   )   4.28  2.38  0.72
assign (resid   43   and name HG    ) (resid   43   and name HN    )   2.97  1.07  0.83
assign (resid   43   and name HD1+  ) (resid   43   and name HA    )   3.87  1.97  2.13
assign (resid   43   and name HN    ) (resid   44   and name HN    )   3.49  1.59  0.31
assign (resid   43   and name HD2+  ) (resid   43   and name HA    )   2.60  0.70  1.20
assign (resid   43   and name HA    ) (resid   43   and name HN    )   3.25  1.35  0.55
assign (resid   43   and name HG    ) (resid   43   and name HA    )   2.58  0.68  0.22
assign (resid   44   and name HA1   ) (resid   45   and name HD2   )   3.23  1.33  0.57
assign (resid   44   and name HA2   ) (resid   45   and name HG2   )   3.39  1.49  1.61
assign (resid   44   and name HA1   ) (resid   45   and name HA    )   4.01  2.11  0.99
assign (resid   44   and name HA2   ) (resid   45   and name HA    )   3.84  1.94  1.16
assign (resid   44   and name HA2   ) (resid   44   and name HN    )   3.00  1.10  0.80
assign (resid   44   and name HN    ) (resid   45   and name HD2   )   3.68  1.78  1.32
assign (resid   44   and name HA1   ) (resid   44   and name HN    )   3.17  1.27  0.63
assign (resid   44   and name HA1   ) (resid   45   and name HD1   )   2.00  0.00  3.00
assign (resid   45   and name HG1   ) (resid   45   and name HD2   )   3.70  1.80  0.10
assign (resid   45   and name HB1   ) (resid   45   and name HD2   )   2.84  0.94  0.96
assign (resid   45   and name HA    ) (resid   48   and name HN    )   3.05  1.15  1.95
assign (resid   45   and name HG2   ) (resid   45   and name HA    )   2.60  0.70  2.40
assign (resid   45   and name HA    ) (resid   46   and name HD2   )   3.31  1.41  1.69
assign (resid   45   and name HD2   ) (resid   45   and name HA    )   3.26  1.36  1.74
assign (resid   45   and name HA    ) (resid   48   and name HD1+  )   2.00  0.00  4.00
assign (resid   46   and name HD2   ) (resid   48   and name HN    )   3.38  1.48  1.62
assign (resid   46   and name HG2   ) (resid   46   and name HA    )   3.39  1.49  0.41
assign (resid   46   and name HB1   ) (resid   47   and name HN    )   3.27  1.37  0.53
assign (resid   46   and name HA    ) (resid   50   and name HB+   )   2.65  0.75  2.35
assign (resid   46   and name HN    ) (resid   47   and name HN    )   3.72  1.82  0.08
assign (resid   46   and name HA    ) (resid   50   and name HN    )   3.08  1.18  1.92
assign (resid   46   and name HA    ) (resid   49   and name HN    )   3.22  1.32  1.78
assign (resid   46   and name HB1   ) (resid   46   and name HN    )   3.27  1.37  0.53
assign (resid   46   and name HG2   ) (resid   46   and name HD2   )   2.73  0.83  0.07
assign (resid   46   and name HD1   ) (resid   46   and name HA    )   3.20  1.30  1.80
assign (resid   46   and name HB1   ) (resid   46   and name HA    )   2.57  0.67  0.23
assign (resid   46   and name HD2   ) (resid   47   and name HN    )   3.05  1.15  0.75
assign (resid   46   and name HA    ) (resid   46   and name HN    )   3.58  1.68  0.22
assign (resid   46   and name HA    ) (resid   47   and name HN    )   3.00  0.00  1.00
assign (resid   47   and name HB1   ) (resid   47   and name HN    )   3.05  1.15  0.75
assign (resid   47   and name HA    ) (resid   52   and name HN    )   3.23  1.33  1.77
assign (resid   47   and name HA    ) (resid   48   and name HN    )   3.05  1.15  0.75
assign (resid   47   and name HA    ) (resid   51   and name HB2   )   3.21  1.31  1.79
assign (resid   47   and name HB2   ) (resid   48   and name HN    )   3.38  1.48  0.42
assign (resid   47   and name HA    ) (resid   50   and name HN    )   4.20  2.30  0.80
assign (resid   47   and name HN    ) (resid   48   and name HN    )   3.38  1.48  0.42
assign (resid   47   and name HB1   ) (resid   48   and name HN    )   3.55  1.65  0.25
assign (resid   47   and name HB2   ) (resid   47   and name HN    )   3.05  1.15  0.75
assign (resid   47   and name HB1   ) (resid   48   and name HG2+  )   3.00  0.00  3.00
assign (resid   48   and name HB    ) (resid   48   and name HN    )   3.05  1.15  0.75
assign (resid   48   and name HA    ) (resid   51   and name HB1   )   3.41  1.51  1.59
assign (resid   48   and name HA    ) (resid   52   and name HN    )   4.02  2.12  0.98
assign (resid   48   and name HG2+  ) (resid   48   and name HN    )   3.32  1.42  1.68
assign (resid   48   and name HA    ) (resid   48   and name HN    )   3.28  1.38  0.52
assign (resid   48   and name HA    ) (resid   51   and name HD1   )   3.76  1.86  0.04
assign (resid   48   and name HB    ) (resid   48   and name HG2+  )   2.73  0.83  0.07
assign (resid   48   and name HA    ) (resid   51   and name HN    )   3.75  1.85  1.25
assign (resid   48   and name HN    ) (resid   49   and name HN    )   2.70  0.00  0.60
assign (resid   48   and name HA    ) (resid   49   and name HN    )   3.40  0.00  0.80
assign (resid   48   and name HA    ) (resid   51   and name HZ    )   3.00  0.00  2.00
assign (resid   49   and name HA    ) (resid   50   and name HN    )   3.08  1.18  0.72
assign (resid   49   and name HA    ) (resid   53   and name HB1   )   3.27  1.37  1.73
assign (resid   49   and name HA    ) (resid   49   and name HN    )   3.22  1.32  0.58
assign (resid   49   and name HN    ) (resid   50   and name HN    )   3.74  1.84  0.06
assign (resid   49   and name HN    ) (resid   50   and name HA    )   3.22  1.32  1.78
assign (resid   49   and name HA    ) (resid   51   and name HN    )   3.15  1.25  1.85
assign (resid   49   and name HG1   ) (resid   49   and name HN    )   3.61  1.71  1.39
assign (resid   49   and name HA    ) (resid   53   and name HN    )   3.62  1.72  0.18
assign (resid   49   and name HA    ) (resid   52   and name HN    )   3.00  0.00  1.00
assign (resid   49   and name HA    ) (resid   52   and name HB    )   2.00  0.00  1.00
assign (resid   50   and name HB+   ) (resid   50   and name HN    )   2.79  0.89  1.01
assign (resid   50   and name HA    ) (resid   53   and name HN    )   3.62  1.72  1.38
assign (resid   50   and name HA    ) (resid   51   and name HN    )   3.15  1.25  0.65
assign (resid   50   and name HA    ) (resid   53   and name HB1   )   3.27  1.37  0.53
assign (resid   50   and name HN    ) (resid   51   and name HN    )   3.26  1.36  0.54
assign (resid   50   and name HA    ) (resid   50   and name HN    )   3.08  1.18  0.72
assign (resid   50   and name HN    ) (resid   51   and name HA    )   3.08  1.18  1.92
assign (resid   50   and name HB+   ) (resid   51   and name HA    )   2.65  0.75  2.35
assign (resid   50   and name HB+   ) (resid   50   and name HA    )   2.65  0.75  1.15
assign (resid   50   and name HN    ) (resid   53   and name HB1   )   3.79  1.89  1.21
assign (resid   50   and name HB+   ) (resid   51   and name HN    )   3.09  1.19  1.71
assign (resid   50   and name HA    ) (resid   53   and name HG1   )   3.00  0.00  2.00
assign (resid   51   and name HD1   ) (resid   52   and name HN    )   3.50  1.60  0.30
assign (resid   51   and name HB2   ) (resid   52   and name HA    )   3.47  1.57  1.53
assign (resid   51   and name HA    ) (resid   51   and name HN    )   3.15  1.25  0.65
assign (resid   51   and name HN    ) (resid   52   and name HN    )   3.58  1.68  0.22
assign (resid   51   and name HB1   ) (resid   51   and name HA    )   3.20  1.30  0.60
assign (resid   51   and name HA    ) (resid   53   and name HN    )   3.62  1.72  1.38
assign (resid   51   and name HA    ) (resid   51   and name HD1   )   3.39  1.49  1.61
assign (resid   51   and name HA    ) (resid   53   and name HB1   )   3.27  1.37  1.73
assign (resid   51   and name HB1   ) (resid   52   and name HN    )   3.48  1.58  0.32
assign (resid   51   and name HB2   ) (resid   52   and name HN    )   3.68  1.78  0.12
assign (resid   51   and name HB1   ) (resid   51   and name HD1   )   3.02  1.12  0.78
assign (resid   51   and name HE1   ) (resid   51   and name HD1   )   2.60  0.70  0.20
assign (resid   51   and name HB2   ) (resid   51   and name HD1   )   2.83  0.93  0.97
assign (resid   51   and name HN    ) (resid   52   and name HB    )   3.98  2.08  1.02
assign (resid   51   and name HB1   ) (resid   51   and name HN    )   3.16  1.26  0.64
assign (resid   51   and name HD1   ) (resid   52   and name HA    )   3.15  1.25  1.85
assign (resid   51   and name HB2   ) (resid   51   and name HA    )   3.02  1.12  0.78
assign (resid   51   and name HA    ) (resid   55   and name HN    )   3.98  2.08  1.02
assign (resid   51   and name HB2   ) (resid   55   and name HN    )   3.51  1.61  1.49
assign (resid   51   and name HB2   ) (resid   51   and name HN    )   3.12  1.22  0.68
assign (resid   51   and name HD1   ) (resid   51   and name HN    )   3.50  1.60  0.30
assign (resid   51   and name HA    ) (resid   52   and name HN    )   3.20  0.00  0.60
assign (resid   52   and name HA    ) (resid   55   and name HB2   )   3.41  1.51  1.59
assign (resid   52   and name HG2+  ) (resid   52   and name HB    )   2.71  0.81  1.09
assign (resid   52   and name HA    ) (resid   53   and name HN    )   3.90  2.00  1.10
assign (resid   52   and name HB    ) (resid   52   and name HN    )   2.64  0.74  0.16
assign (resid   52   and name HA    ) (resid   55   and name HB1   )   3.13  1.23  0.67
assign (resid   52   and name HA    ) (resid   53   and name HA    )   3.55  1.65  1.45
assign (resid   52   and name HA    ) (resid   52   and name HN    )   3.43  1.53  0.37
assign (resid   52   and name HG2+  ) (resid   53   and name HA    )   3.14  1.24  1.86
assign (resid   52   and name HN    ) (resid   53   and name HN    )   3.49  1.59  0.31
assign (resid   52   and name HG2+  ) (resid   53   and name HN    )   3.49  1.59  1.51
assign (resid   52   and name HG2+  ) (resid   56   and name HN    )   4.28  2.38  1.72
assign (resid   52   and name HA    ) (resid   55   and name HN    )   3.58  1.68  1.42
assign (resid   52   and name HG2+  ) (resid   52   and name HN    )   3.45  1.55  1.55
assign (resid   52   and name HA    ) (resid   54   and name HN    )   3.68  1.78  1.32
assign (resid   52   and name HB    ) (resid   53   and name HN    )   3.14  1.24  0.66
assign (resid   52   and name HG2+  ) (resid   55   and name HB1   )   3.00  0.00  3.00
assign (resid   52   and name HG2+  ) (resid   56   and name HG2+  )   3.00  0.00  3.00
assign (resid   53   and name HA    ) (resid   53   and name HN    )   2.57  0.67  0.23
assign (resid   53   and name HG1   ) (resid   54   and name HN    )   4.22  2.32  0.78
assign (resid   53   and name HG1   ) (resid   53   and name HB1   )   2.50  0.60  0.30
assign (resid   53   and name HB1   ) (resid   53   and name HA    )   2.70  0.80  0.10
assign (resid   53   and name HA    ) (resid   56   and name HN    )   3.42  1.52  0.38
assign (resid   53   and name HN    ) (resid   54   and name HN    )   3.35  1.45  0.45
assign (resid   53   and name HA    ) (resid   54   and name HN    )   3.71  1.81  0.09
assign (resid   53   and name HN    ) (resid   56   and name HG2+  )   3.14  1.24  1.86
assign (resid   53   and name HA    ) (resid   57   and name HG1+  )   3.02  1.12  1.78
assign (resid   53   and name HA    ) (resid   55   and name HN    )   3.09  1.19  1.91
assign (resid   53   and name HG1   ) (resid   53   and name HN    )   3.57  1.67  1.43
assign (resid   53   and name HB1   ) (resid   54   and name HN    )   3.57  1.67  0.23
assign (resid   53   and name HB1   ) (resid   53   and name HN    )   2.88  0.98  0.92
assign (resid   53   and name HA    ) (resid   57   and name HN    )   3.93  2.03  1.07
assign (resid   53   and name HA    ) (resid   56   and name HG1+  )   3.02  1.12  1.98
assign (resid   53   and name HA    ) (resid   56   and name HG2+  )   2.51  0.61  2.49
assign (resid   53   and name HN    ) (resid   55   and name HN    )   3.54  1.64  0.26
assign (resid   53   and name HB1   ) (resid   57   and name HG2+  )   3.00  0.00  3.00
assign (resid   53   and name HG1   ) (resid   57   and name HG2+  )   2.00  0.00  3.00
assign (resid   54   and name HB1   ) (resid   58   and name HN    )   4.46  2.56  0.54
assign (resid   54   and name HN    ) (resid   55   and name HN    )   3.23  1.33  0.57
assign (resid   54   and name HB1   ) (resid   54   and name HN    )   3.68  1.78  0.12
assign (resid   54   and name HA    ) (resid   54   and name HN    )   2.84  0.94  0.96
assign (resid   54   and name HB1   ) (resid   57   and name HG2+  )   3.06  1.16  1.74
assign (resid   54   and name HA    ) (resid   55   and name HN    )   3.79  1.89  0.01
assign (resid   54   and name HB1   ) (resid   55   and name HB1   )   3.13  1.23  1.87
assign (resid   54   and name HB1   ) (resid   55   and name HN    )   3.58  1.68  0.22
assign (resid   54   and name HB1   ) (resid   55   and name HA    )   3.55  1.65  1.45
assign (resid   54   and name HA    ) (resid   57   and name HN    )   3.00  0.00  1.00
assign (resid   55   and name HN    ) (resid   56   and name HA    )   3.58  1.68  1.42
assign (resid   55   and name HB2   ) (resid   55   and name HN    )   3.12  1.22  0.68
assign (resid   55   and name HB2   ) (resid   55   and name HA    )   3.23  1.33  0.57
assign (resid   55   and name HA    ) (resid   55   and name HN    )   3.09  1.19  0.71
assign (resid   55   and name HA    ) (resid   57   and name HN    )   3.93  2.03  1.07
assign (resid   55   and name HA    ) (resid   56   and name HN    )   3.42  1.52  0.38
assign (resid   55   and name HN    ) (resid   56   and name HN    )   3.43  1.53  0.37
assign (resid   55   and name HB1   ) (resid   55   and name HA    )   3.33  1.43  0.47
assign (resid   55   and name HA    ) (resid   59   and name HN    )   3.84  1.94  1.16
assign (resid   55   and name HA    ) (resid   58   and name HN    )   3.70  1.80  1.30
assign (resid   55   and name HN    ) (resid   56   and name HG2+  )   3.75  1.85  1.25
assign (resid   55   and name HA    ) (resid   56   and name HA    )   3.55  1.65  1.45
assign (resid   55   and name HB1   ) (resid   56   and name HN    )   3.44  1.54  0.36
assign (resid   55   and name HB1   ) (resid   55   and name HN    )   3.16  1.26  0.64
assign (resid   55   and name HB2   ) (resid   56   and name HN    )   3.68  1.78  1.32
assign (resid   55   and name HA    ) (resid   58   and name HB+   )   2.00  0.00  2.00
assign (resid   55   and name HB1   ) (resid   56   and name HG2+  )   3.00  0.00  3.00
assign (resid   56   and name HA    ) (resid   59   and name HN    )   3.74  1.84  0.06
assign (resid   56   and name HA    ) (resid   57   and name HN    )   3.82  1.92  1.18
assign (resid   56   and name HA    ) (resid   56   and name HN    )   3.02  1.12  0.78
assign (resid   56   and name HG2+  ) (resid   57   and name HN    )   3.50  1.60  1.50
assign (resid   56   and name HB    ) (resid   59   and name HB2   )   2.65  0.75  2.35
assign (resid   56   and name HA    ) (resid   58   and name HN    )   4.46  2.56  0.54
assign (resid   56   and name HB    ) (resid   56   and name HN    )   2.87  0.97  0.93
assign (resid   56   and name HN    ) (resid   57   and name HN    )   3.34  1.44  0.46
assign (resid   56   and name HB    ) (resid   56   and name HG1+  )   2.55  0.65  0.25
assign (resid   56   and name HB    ) (resid   57   and name HN    )   3.24  1.34  0.56
assign (resid   56   and name HB    ) (resid   56   and name HA    )   3.06  1.16  0.74
assign (resid   56   and name HN    ) (resid   57   and name HG1+  )   2.70  0.80  2.30
assign (resid   56   and name HG1+  ) (resid   56   and name HN    )   2.70  0.80  2.30
assign (resid   56   and name HG1+  ) (resid   56   and name HA    )   2.58  0.68  1.22
assign (resid   56   and name HG2+  ) (resid   56   and name HA    )   2.73  0.83  1.07
assign (resid   56   and name HG2+  ) (resid   56   and name HN    )   3.16  1.26  1.64
assign (resid   56   and name HA    ) (resid   59   and name HA    )   3.00  0.00  1.00
assign (resid   56   and name HA    ) (resid   59   and name HB1   )   2.50  0.00  2.00
assign (resid   56   and name HG1+  ) (resid   57   and name HA    )   2.50  0.00  2.00
assign (resid   56   and name HG1+  ) (resid   60   and name HG1   )   3.00  0.00  3.00
assign (resid   56   and name HG1+  ) (resid   60   and name HE22  )   2.50  0.00  3.00
assign (resid   57   and name HB    ) (resid   58   and name HN    )   3.19  1.29  0.61
assign (resid   57   and name HB    ) (resid   57   and name HN    )   3.01  1.11  0.79
assign (resid   57   and name HA    ) (resid   59   and name HN    )   4.38  2.48  0.62
assign (resid   57   and name HB    ) (resid   57   and name HG2+  )   2.26  0.36  0.54
assign (resid   57   and name HA    ) (resid   58   and name HN    )   3.69  1.79  0.11
assign (resid   57   and name HB    ) (resid   61   and name HD1+  )   2.26  0.36  2.74
assign (resid   57   and name HG2+  ) (resid   58   and name HA    )   2.66  0.76  2.34
assign (resid   57   and name HA    ) (resid   60   and name HN    )   3.59  1.69  0.21
assign (resid   57   and name HG2+  ) (resid   59   and name HN    )   4.09  2.19  1.91
assign (resid   57   and name HB    ) (resid   57   and name HG1+  )   2.71  0.81  0.09
assign (resid   57   and name HG1+  ) (resid   58   and name HN    )   3.57  1.67  1.43
assign (resid   57   and name HB    ) (resid   59   and name HN    )   3.99  2.09  1.01
assign (resid   57   and name HA    ) (resid   61   and name HN    )   4.35  2.45  0.65
assign (resid   57   and name HG2+  ) (resid   58   and name HN    )   3.29  1.39  1.51
assign (resid   57   and name HN    ) (resid   58   and name HB+   )   4.27  2.37  1.73
assign (resid   57   and name HN    ) (resid   59   and name HB2   )   3.56  1.66  1.44
assign (resid   57   and name HN    ) (resid   59   and name HN    )   4.32  2.42  0.68
assign (resid   57   and name HG2+  ) (resid   57   and name HN    )   3.29  1.39  1.51
assign (resid   57   and name HA    ) (resid   57   and name HN    )   3.15  1.25  0.65
assign (resid   57   and name HB    ) (resid   57   and name HA    )   3.20  1.30  0.60
assign (resid   57   and name HA    ) (resid   60   and name HB1   )   3.50  1.60  1.50
assign (resid   57   and name HN    ) (resid   58   and name HA    )   3.56  1.66  1.44
assign (resid   57   and name HN    ) (resid   58   and name HN    )   3.27  1.37  0.53
assign (resid   57   and name HG2+  ) (resid   57   and name HA    )   2.65  0.75  1.15
assign (resid   57   and name HG1+  ) (resid   57   and name HA    )   2.60  0.70  1.20
assign (resid   57   and name HG1+  ) (resid   57   and name HN    )   2.79  0.89  1.01
assign (resid   57   and name HA    ) (resid   60   and name HB2   )   3.48  1.58  0.32
assign (resid   57   and name HA    ) (resid   60   and name HE22  )   3.00  0.00  2.00
assign (resid   58   and name HA    ) (resid   58   and name HN    )   2.99  1.09  0.81
assign (resid   58   and name HA    ) (resid   59   and name HN    )   3.08  1.18  0.72
assign (resid   58   and name HB+   ) (resid   59   and name HN    )   3.10  1.20  1.70
assign (resid   58   and name HA    ) (resid   61   and name HG    )   2.54  0.64  1.26
assign (resid   58   and name HA    ) (resid   61   and name HD1+  )   2.66  0.76  1.14
assign (resid   58   and name HA    ) (resid   61   and name HN    )   3.28  1.38  0.52
assign (resid   58   and name HB+   ) (resid   59   and name HB2   )   2.54  0.64  2.46
assign (resid   58   and name HN    ) (resid   59   and name HB2   )   2.99  1.09  2.01
assign (resid   58   and name HA    ) (resid   61   and name HA    )   2.70  0.80  2.30
assign (resid   58   and name HB+   ) (resid   58   and name HA    )   2.54  0.64  1.26
assign (resid   58   and name HN    ) (resid   60   and name HN    )   4.19  2.29  0.81
assign (resid   58   and name HA    ) (resid   61   and name HB1   )   2.73  0.83  1.07
assign (resid   58   and name HB+   ) (resid   58   and name HN    )   2.76  0.86  1.04
assign (resid   58   and name HA    ) (resid   62   and name HG2   )   2.73  0.83  2.27
assign (resid   58   and name HA    ) (resid   60   and name HN    )   3.46  1.56  1.54
assign (resid   58   and name HB+   ) (resid   61   and name HB2   )   3.35  1.45  1.65
assign (resid   59   and name HA    ) (resid   59   and name HN    )   3.16  1.26  0.64
assign (resid   59   and name HN    ) (resid   62   and name HG2   )   3.99  2.09  1.01
assign (resid   59   and name HB1   ) (resid   59   and name HN    )   3.21  1.31  0.59
assign (resid   59   and name HB2   ) (resid   62   and name HG2   )   2.73  0.83  2.27
assign (resid   59   and name HB2   ) (resid   59   and name HN    )   3.08  1.18  0.72
assign (resid   59   and name HN    ) (resid   60   and name HN    )   3.22  1.32  0.58
assign (resid   59   and name HA    ) (resid   62   and name HG2   )   2.54  0.64  0.26
assign (resid   59   and name HB1   ) (resid   62   and name HG2   )   2.88  0.98  2.12
assign (resid   59   and name HA    ) (resid   61   and name HN    )   2.93  1.03  2.07
assign (resid   59   and name HN    ) (resid   61   and name HN    )   4.32  2.42  0.68
assign (resid   59   and name HB1   ) (resid   60   and name HN    )   2.89  0.99  0.91
assign (resid   59   and name HB2   ) (resid   60   and name HN    )   3.46  1.56  0.34
assign (resid   59   and name HN    ) (resid   61   and name HG    )   3.10  1.20  1.90
assign (resid   59   and name HA    ) (resid   60   and name HN    )   3.00  0.00  1.00
assign (resid   59   and name HA    ) (resid   62   and name HN    )   3.00  0.00  1.00
assign (resid   59   and name HA    ) (resid   62   and name HB1   )   3.00  0.00  2.00
assign (resid   59   and name HA    ) (resid   62   and name HD1   )   3.00  0.00  2.00
assign (resid   60   and name HG2   ) (resid   60   and name HN    )   3.34  1.44  1.66
assign (resid   60   and name HA    ) (resid   62   and name HN    )   2.85  0.95  2.15
assign (resid   60   and name HG1   ) (resid   60   and name HN    )   3.81  1.91  1.19
assign (resid   60   and name HB1   ) (resid   60   and name HA    )   2.60  0.70  0.20
assign (resid   60   and name HG2   ) (resid   60   and name HE22  )   3.68  1.78  1.32
assign (resid   60   and name HG1   ) (resid   60   and name HE22  )   3.57  1.67  0.23
assign (resid   60   and name HA    ) (resid   60   and name HN    )   2.89  0.99  0.91
assign (resid   60   and name HG1   ) (resid   63   and name HN    )   3.05  1.15  1.95
assign (resid   60   and name HG1   ) (resid   60   and name HB2   )   2.79  0.89  0.01
assign (resid   60   and name HG2   ) (resid   60   and name HA    )   3.48  1.58  0.32
assign (resid   60   and name HN    ) (resid   62   and name HG2   )   3.78  1.88  1.22
assign (resid   60   and name HB1   ) (resid   61   and name HB2   )   3.54  1.64  1.46
assign (resid   60   and name HN    ) (resid   61   and name HN    )   3.43  1.53  0.37
assign (resid   60   and name HG2   ) (resid   60   and name HE21  )   4.06  2.16  0.94
assign (resid   60   and name HG1   ) (resid   60   and name HE21  )   3.95  2.05  1.05
assign (resid   60   and name HB2   ) (resid   60   and name HN    )   3.26  1.36  0.54
assign (resid   60   and name HB1   ) (resid   60   and name HN    )   3.34  1.44  0.46
assign (resid   60   and name HA    ) (resid   63   and name HB+   )   2.72  0.82  1.08
assign (resid   60   and name HA    ) (resid   61   and name HN    )   3.00  0.00  1.00
assign (resid   60   and name HA    ) (resid   63   and name HN    )   3.00  0.00  1.00
assign (resid   61   and name HA    ) (resid   61   and name HN    )   2.93  1.03  0.87
assign (resid   61   and name HB1   ) (resid   61   and name HN    )   2.79  0.89  1.01
assign (resid   61   and name HB1   ) (resid   61   and name HD1+  )   2.26  0.36  0.54
assign (resid   61   and name HN    ) (resid   62   and name HA    )   2.93  1.03  2.07
assign (resid   61   and name HD1+  ) (resid   61   and name HN    )   3.05  1.15  1.95
assign (resid   61   and name HN    ) (resid   62   and name HG2   )   2.79  0.89  2.21
assign (resid   61   and name HG    ) (resid   61   and name HA    )   2.92  1.02  0.88
assign (resid   61   and name HG    ) (resid   61   and name HN    )   3.25  1.35  0.55
assign (resid   61   and name HB1   ) (resid   61   and name HG    )   2.63  0.73  0.17
assign (resid   61   and name HN    ) (resid   62   and name HN    )   3.25  1.35  0.55
assign (resid   61   and name HG    ) (resid   62   and name HN    )   3.71  1.81  1.29
assign (resid   61   and name HB1   ) (resid   74   and name HA    )   2.54  0.64  2.46
assign (resid   61   and name HB1   ) (resid   62   and name HA    )   2.54  0.64  2.46
assign (resid   61   and name HB1   ) (resid   62   and name HN    )   2.76  0.86  1.04
assign (resid   61   and name HA    ) (resid   62   and name HN    )   3.00  0.00  1.00
assign (resid   62   and name HB1   ) (resid   62   and name HD1   )   2.87  0.97  0.93
assign (resid   62   and name HN    ) (resid   63   and name HB+   )   2.67  0.77  2.33
assign (resid   62   and name HG2   ) (resid   62   and name HN    )   2.76  0.86  0.04
assign (resid   62   and name HN    ) (resid   63   and name HA    )   3.15  1.25  1.85
assign (resid   62   and name HD1   ) (resid   62   and name HE    )   3.14  1.24  0.66
assign (resid   62   and name HN    ) (resid   74   and name HA    )   2.85  0.95  2.15
assign (resid   62   and name HB1   ) (resid   62   and name HE    )   3.75  1.85  0.05
assign (resid   62   and name HA    ) (resid   62   and name HN    )   2.85  0.95  0.95
assign (resid   62   and name HB1   ) (resid   62   and name HN    )   3.80  1.90  1.20
assign (resid   62   and name HA    ) (resid   65   and name HB    )   2.54  0.64  2.46
assign (resid   62   and name HG2   ) (resid   74   and name HA    )   2.54  0.64  2.46
assign (resid   62   and name HG2   ) (resid   62   and name HE    )   3.92  2.02  1.08
assign (resid   62   and name HG2   ) (resid   62   and name HA    )   2.54  0.64  1.26
assign (resid   62   and name HG1   ) (resid   62   and name HD1   )   2.90  1.00  0.90
assign (resid   62   and name HG2   ) (resid   62   and name HD1   )   2.96  1.06  0.84
assign (resid   62   and name HG1   ) (resid   62   and name HN    )   3.59  1.69  0.21
assign (resid   62   and name HN    ) (resid   63   and name HN    )   2.40  0.00  0.70
assign (resid   62   and name HA    ) (resid   63   and name HN    )   3.00  0.00  1.00
assign (resid   63   and name HB+   ) (resid   63   and name HA    )   2.59  0.69  1.21
assign (resid   63   and name HA    ) (resid   64   and name HN    )   3.18  1.28  0.62
assign (resid   63   and name HB+   ) (resid   64   and name HN    )   3.29  1.39  1.51
assign (resid   64   and name HB2   ) (resid   64   and name HD21  )   2.92  1.02  0.88
assign (resid   64   and name HA    ) (resid   64   and name HN    )   3.40  1.50  0.40
assign (resid   64   and name HB1   ) (resid   64   and name HN    )   3.61  1.71  0.19
assign (resid   64   and name HB2   ) (resid   64   and name HN    )   3.33  1.43  0.47
assign (resid   64   and name HB1   ) (resid   64   and name HD22  )   3.57  1.67  0.23
assign (resid   64   and name HA    ) (resid   65   and name HN    )   3.51  1.61  0.29
assign (resid   64   and name HB1   ) (resid   65   and name HA    )   3.21  1.31  1.79
assign (resid   64   and name HB2   ) (resid   64   and name HD22  )   3.23  1.33  0.57
assign (resid   64   and name HB1   ) (resid   64   and name HD21  )   2.97  1.07  0.83
assign (resid   65   and name HG11  ) (resid   65   and name HN    )   3.44  1.54  0.36
assign (resid   65   and name HB    ) (resid   65   and name HA    )   2.88  0.98  0.92
assign (resid   65   and name HG2+  ) (resid   65   and name HA    )   2.69  0.79  1.11
assign (resid   65   and name HA    ) (resid   66   and name HN    )   2.91  1.01  0.89
assign (resid   65   and name HG12  ) (resid   65   and name HN    )   3.64  1.74  1.36
assign (resid   65   and name HA    ) (resid   65   and name HN    )   2.95  1.05  0.85
assign (resid   65   and name HN    ) (resid   66   and name HN    )   3.70  1.80  1.10
assign (resid   65   and name HG2+  ) (resid   66   and name HN    )   3.48  1.58  2.52
assign (resid   65   and name HB    ) (resid   66   and name HN    )   3.56  1.66  1.44
assign (resid   66   and name HN    ) (resid   70   and name HG2   )   4.15  2.25  0.85
assign (resid   66   and name HB1   ) (resid   66   and name HN    )   3.33  1.43  0.47
assign (resid   66   and name HN    ) (resid   70   and name HB2   )   3.68  1.78  0.12
assign (resid   66   and name HN    ) (resid   70   and name HB1   )   3.48  1.58  0.32
assign (resid   66   and name HN    ) (resid   70   and name HA    )   3.63  1.73  1.37
assign (resid   66   and name HA    ) (resid   71   and name HN    )   3.09  1.19  0.71
assign (resid   66   and name HN    ) (resid   69   and name HN    )   3.35  1.45  1.65
assign (resid   66   and name HN    ) (resid   67   and name HN    )   3.35  1.45  1.65
assign (resid   66   and name HB1   ) (resid   66   and name HA    )   2.84  0.94  0.96
assign (resid   66   and name HA    ) (resid   66   and name HN    )   3.18  1.28  0.62
assign (resid   66   and name HA    ) (resid   70   and name HN    )   3.18  1.28  1.82
assign (resid   66   and name HN    ) (resid   69   and name HB1   )   4.15  2.25  0.85
assign (resid   66   and name HN    ) (resid   69   and name HB2   )   4.43  2.53  0.57
assign (resid   67   and name HB1   ) (resid   67   and name HN    )   4.51  2.61  0.49
assign (resid   67   and name HN    ) (resid   70   and name HB2   )   3.68  1.78  1.32
assign (resid   67   and name HB1   ) (resid   71   and name HN    )   4.51  2.61  0.49
assign (resid   67   and name HN    ) (resid   71   and name HB1   )   3.68  1.78  1.32
assign (resid   67   and name HN    ) (resid   72   and name HN    )   3.83  1.93  1.17
assign (resid   67   and name HA    ) (resid   69   and name HN    )   3.54  1.64  1.26
assign (resid   67   and name HN    ) (resid   71   and name HB2   )   3.16  1.26  1.64
assign (resid   67   and name HN    ) (resid   70   and name HN    )   3.35  1.45  1.65
assign (resid   67   and name HB2   ) (resid   67   and name HN    )   4.46  2.56  0.54
assign (resid   67   and name HB2   ) (resid   71   and name HN    )   4.46  2.56  0.54
assign (resid   67   and name HN    ) (resid   70   and name HB1   )   3.16  1.26  0.64
assign (resid   67   and name HA    ) (resid   68   and name HN    )   3.79  1.89  0.01
assign (resid   67   and name HB1   ) (resid   70   and name HN    )   4.48  2.58  0.52
assign (resid   67   and name HB2   ) (resid   68   and name HN    )   4.56  2.66  0.44
assign (resid   68   and name HB1   ) (resid   68   and name HG1   )   3.35  1.45  0.45
assign (resid   68   and name HA    ) (resid   69   and name HN    )   2.99  1.09  0.81
assign (resid   68   and name HD1   ) (resid   68   and name HN    )   3.66  1.76  1.34
assign (resid   68   and name HA    ) (resid   70   and name HN    )   3.62  1.72  1.38
assign (resid   68   and name HD1   ) (resid   68   and name HG1   )   3.56  1.66  0.24
assign (resid   68   and name HA    ) (resid   68   and name HN    )   3.62  1.72  0.18
assign (resid   68   and name HA    ) (resid   73   and name HN    )   2.99  1.09  2.01
assign (resid   68   and name HD1   ) (resid   72   and name HD2+  )   2.73  0.83  3.27
assign (resid   68   and name HG1   ) (resid   69   and name HN    )   4.15  2.25  0.85
assign (resid   69   and name HA    ) (resid   70   and name HN    )   3.14  1.24  0.66
assign (resid   69   and name HN    ) (resid   70   and name HN    )   3.35  1.45  0.45
assign (resid   69   and name HN    ) (resid   72   and name HN    )   3.83  1.93  1.17
assign (resid   69   and name HA    ) (resid   69   and name HN    )   3.39  1.49  0.41
assign (resid   69   and name HB1   ) (resid   70   and name HN    )   4.15  2.25  0.85
assign (resid   69   and name HN    ) (resid   74   and name HN    )   4.26  2.36  1.24
assign (resid   69   and name HN    ) (resid   73   and name HA*   )   3.04  1.14  2.96
assign (resid   70   and name HB1   ) (resid   71   and name HA    )   3.55  1.65  1.45
assign (resid   70   and name HG2   ) (resid   70   and name HN    )   4.15  2.25  0.85
assign (resid   70   and name HB1   ) (resid   71   and name HN    )   3.16  1.26  0.64
assign (resid   70   and name HN    ) (resid   73   and name HN    )   3.35  1.45  1.65
assign (resid   70   and name HA    ) (resid   71   and name HN    )   3.09  1.19  0.71
assign (resid   70   and name HB1   ) (resid   70   and name HA    )   3.52  1.62  0.28
assign (resid   70   and name HB2   ) (resid   70   and name HA    )   3.99  2.09  1.01
assign (resid   70   and name HG1   ) (resid   70   and name HA    )   4.15  2.25  0.85
assign (resid   70   and name HB2   ) (resid   71   and name HN    )   3.68  1.78  0.12
assign (resid   70   and name HB2   ) (resid   70   and name HN    )   3.68  1.78  0.12
assign (resid   70   and name HA    ) (resid   70   and name HN    )   3.18  1.28  0.62
assign (resid   70   and name HA    ) (resid   74   and name HN    )   4.52  2.62  0.48
assign (resid   70   and name HN    ) (resid   71   and name HN    )   3.46  1.56  1.54
assign (resid   71   and name HB2   ) (resid   71   and name HA    )   3.55  1.65  0.25
assign (resid   71   and name HB2   ) (resid   71   and name HN    )   3.16  1.26  0.64
assign (resid   71   and name HA    ) (resid   72   and name HN    )   3.18  1.28  0.62
assign (resid   71   and name HB1   ) (resid   71   and name HN    )   3.68  1.78  0.12
assign (resid   71   and name HN    ) (resid   74   and name HN    )   4.26  2.36  0.74
assign (resid   71   and name HA    ) (resid   71   and name HN    )   3.45  1.55  0.35
assign (resid   71   and name HN    ) (resid   72   and name HN    )   3.83  1.93  1.17
assign (resid   72   and name HN    ) (resid   73   and name HN    )   3.83  1.93  1.17
assign (resid   72   and name HA    ) (resid   73   and name HN    )   3.14  1.24  0.66
assign (resid   72   and name HB2   ) (resid   72   and name HD1+  )   2.56  0.66  0.24
assign (resid   72   and name HD1+  ) (resid   73   and name HN    )   3.14  1.24  1.86
assign (resid   72   and name HB*   ) (resid   74   and name HN    )   4.09  2.19  1.91
assign (resid   73   and name HN    ) (resid   74   and name HN    )   4.26  2.36  0.74
assign (resid   73   and name HA2   ) (resid   73   and name HN    )   3.04  1.14  0.76
assign (resid   73   and name HA1   ) (resid   73   and name HN    )   3.04  1.14  0.76
assign (resid  6 and name o     )
       (resid 10 and name hn    )  1.9  0.0  0.2
assign (resid  6 and name o     )
       (resid 10 and name n     )  2.7  0.0  0.3
assign (resid  7 and name o     )
       (resid 11 and name hn    )  1.8  0.0  0.2
assign (resid  7 and name o     )
       (resid 11 and name n     )  2.7  0.0  0.3
assign (resid  8 and name o     )
       (resid 12 and name hn    )  1.8  0.0  0.2
assign (resid  8 and name o     )
       (resid 12 and name n     )  2.7  0.0  0.3
assign (resid 18 and name o     )
       (resid 22 and name hn    )  1.8  0.0  0.2
assign (resid 18 and name o     )
       (resid 22 and name n     )  2.7  0.0  0.3
assign (resid 19 and name o     )
       (resid 23 and name hn    )  1.8  0.0  0.2
assign (resid 19 and name o     )
       (resid 23 and name n     )  2.7  0.0  0.3
assign (resid 20 and name o     )
       (resid 24 and name hn    )  1.8  0.0  0.2
assign (resid 20 and name o     )
       (resid 24 and name n     )  2.7  0.0  0.3
assign (resid 21 and name o     )
       (resid 25 and name hn    )  1.8  0.0  0.2
assign (resid 21 and name o     )
       (resid 25 and name n     )  2.7  0.0  0.3
assign (resid 22 and name o     )
       (resid 26 and name hn    )  1.8  0.0  0.2
assign (resid 22 and name o     )
       (resid 26 and name n     )  2.7  0.0  0.3
assign (resid 23 and name o     )
       (resid 27 and name hn    )  1.8  0.0  0.2
assign (resid 23 and name o     )
       (resid 27 and name n     )  2.7  0.0  0.3
assign (resid 24 and name o     )
       (resid 28 and name hn    )  1.8  0.0  0.2
assign (resid 24 and name o     )
       (resid 28 and name n     )  2.7  0.0  0.3
assign (resid 33 and name o     )
       (resid 37 and name hn    )  1.8  0.0  0.2
assign (resid 33 and name o     )
       (resid 37 and name n     )  2.7  0.0  0.3
assign (resid 34 and name o     )
       (resid 38 and name hn    )  1.8  0.0  0.2
assign (resid 34 and name o     )
       (resid 38 and name n     )  2.7  0.0  0.3
assign (resid 35 and name o     )
       (resid 39 and name hn    )  1.8  0.0  0.2
assign (resid 35 and name o     )
       (resid 39 and name n     )  2.7  0.0  0.3
assign (resid 46 and name o     )
       (resid 50 and name hn    )  1.8  0.0  0.2
assign (resid 46 and name o     )
       (resid 50 and name n     )  2.7  0.0  0.3
assign (resid 47 and name o     )
       (resid 51 and name hn    )  1.8  0.0  0.2
assign (resid 47 and name o     )
       (resid 51 and name n     )  2.7  0.0  0.3
assign (resid 48 and name o     )
       (resid 52 and name hn    )  1.8  0.0  0.2
assign (resid 48 and name o     )
       (resid 52 and name n     )  2.7  0.0  0.3
assign (resid 49 and name o     )
       (resid 53 and name hn    )  1.8  0.0  0.2
assign (resid 49 and name o     )
       (resid 53 and name n     )  2.7  0.0  0.3
assign (resid 50 and name o     )
       (resid 54 and name hn    )  1.8  0.0  0.2
assign (resid 50 and name o     )
       (resid 54 and name n     )  2.7  0.0  0.3
assign (resid 51 and name o     )
       (resid 55 and name hn    )  1.8  0.0  0.2
assign (resid 51 and name o     )
       (resid 55 and name n     )  2.7  0.0  0.3
assign (resid 52 and name o     )
       (resid 56 and name hn    )  1.8  0.0  0.2
assign (resid 52 and name o     )
       (resid 56 and name n     )  2.7  0.0  0.3
assign (resid 53 and name o     )
       (resid 57 and name hn    )  1.8  0.0  0.2
assign (resid 53 and name o     )
       (resid 57 and name n     )  2.7  0.0  0.3
assign (resid 54 and name o     )
       (resid 58 and name hn    )  1.8  0.0  0.2
assign (resid 54 and name o     )
       (resid 58 and name n     )  2.7  0.0  0.3
assign (resid 55 and name o     )
       (resid 59 and name hn    )  1.8  0.0  0.2
assign (resid 55 and name o     )
       (resid 59 and name n     )  2.7  0.0  0.3
assign (resid 56 and name o     )
       (resid 60 and name hn    )  1.8  0.0  0.2
assign (resid 56 and name o     )
       (resid 60 and name n     )  2.7  0.0  0.3
assign (resid 57 and name o     )
       (resid 61 and name hn    )  1.8  0.0  0.2
assign (resid 57 and name o     )
       (resid 61 and name n     )  2.7  0.0  0.3
assign (resid 58 and name o     )
       (resid 62 and name hn    )  1.8  0.0  0.2
assign (resid 58 and name o     )
       (resid 62 and name n     )  2.7  0.0  0.3
assign (resid 59 and name o     )
       (resid 63 and name hn    )  1.8  0.0  0.2
assign (resid 59 and name o     )
       (resid 63 and name n     )  2.7  0.0  0.3
assign (resid 68 and name o     )
       (resid 72 and name hn    )  1.8  0.0  0.2
assign (resid 68 and name o     )
       (resid 72 and name n     )  2.7  0.0  0.3
assign (resid 69 and name o     )
       (resid 73 and name hn    )  1.8  0.0  0.2
assign (resid 69 and name o     )
       (resid 73 and name n     )  2.7  0.0  0.3
assign (resid 70 and name o     )
       (resid 74 and name hn    )  1.8  0.0  0.2
assign (resid 70 and name o     )
       (resid 74 and name n     )  2.7  0.0  0.3
	reset
assign  (resid   1 and name c  )
        (resid   2 and name n  )
        (resid   2 and name ca )
        (resid   2 and name c  ) 1 -90.0 90.0 2
assign  (resid   2 and name c  )
        (resid   3 and name n  )
        (resid   3 and name ca )
        (resid   3 and name c  ) 1 -90.0 90.0 2
assign  (resid   3 and name c  )
        (resid   4 and name n  )
        (resid   4 and name ca )
        (resid   4 and name c  ) 1 -90.0 90.0 2
assign  (resid   4 and name c  )
        (resid   5 and name n  )
        (resid   5 and name ca )
        (resid   5 and name c  ) 1 -90.0 90.0 2
assign  (resid   5 and name c  )
        (resid   6 and name n  )
        (resid   6 and name ca )
        (resid   6 and name c  ) 1 -60.0 40.0 2
assign  (resid   6 and name c  )
        (resid   7 and name n  )
        (resid   7 and name ca )
        (resid   7 and name c  ) 1 -60.0 40.0 2
assign  (resid   7 and name c  )
        (resid   8 and name n  )
        (resid   8 and name ca )
        (resid   8 and name c  ) 1 -60.0 40.0 2
assign  (resid   8 and name c  )
        (resid   9 and name n  )
        (resid   9 and name ca )
        (resid   9 and name c  ) 1 -60.0 40.0 2
assign  (resid   9 and name c  )
        (resid  10 and name n  )
        (resid  10 and name ca )
        (resid  10 and name c  ) 1 -60.0 40.0 2
assign  (resid  10 and name c  )
        (resid  11 and name n  )
        (resid  11 and name ca )
        (resid  11 and name c  ) 1 -60.0 40.0 2
assign  (resid  11 and name c  )
        (resid  12 and name n  )
        (resid  12 and name ca )
        (resid  12 and name c  ) 1 -60.0 40.0 2
assign  (resid  12 and name c  )
        (resid  13 and name n  )
        (resid  13 and name ca )
        (resid  13 and name c  ) 1 -90.0 90.0 2
assign  (resid  13 and name c  )
        (resid  14 and name n  )
        (resid  14 and name ca )
        (resid  14 and name c  ) 1 -90.0 90.0 2
assign  (resid  14 and name c  )
        (resid  15 and name n  )
        (resid  15 and name ca )
        (resid  15 and name c  ) 1 -90.0 90.0 2
assign  (resid  15 and name c  )
        (resid  16 and name n  )
        (resid  16 and name ca )
        (resid  16 and name c  ) 1 -90.0 90.0 2
assign  (resid  16 and name c  )
        (resid  17 and name n  )
        (resid  17 and name ca )
        (resid  17 and name c  ) 1 -90.0 90.0 2
assign  (resid  17 and name c  )
        (resid  18 and name n  )
        (resid  18 and name ca )
        (resid  18 and name c  ) 1 -60.0 40.0 2
assign  (resid  18 and name c  )
        (resid  19 and name n  )
        (resid  19 and name ca )
        (resid  19 and name c  ) 1 -60.0 40.0 2
assign  (resid  19 and name c  )
        (resid  20 and name n  )
        (resid  20 and name ca )
        (resid  20 and name c  ) 1 -60.0 40.0 2
assign  (resid  20 and name c  )
        (resid  21 and name n  )
        (resid  21 and name ca )
        (resid  21 and name c  ) 1 -60.0 40.0 2
assign  (resid  21 and name c  )
        (resid  22 and name n  )
        (resid  22 and name ca )
        (resid  22 and name c  ) 1 -60.0 40.0 2
assign  (resid  22 and name c  )
        (resid  23 and name n  )
        (resid  23 and name ca )
        (resid  23 and name c  ) 1 -60.0 40.0 2
assign  (resid  23 and name c  )
        (resid  24 and name n  )
        (resid  24 and name ca )
        (resid  24 and name c  ) 1 -60.0 40.0 2
assign  (resid  25 and name c  )
        (resid  26 and name n  )
        (resid  26 and name ca )
        (resid  26 and name c  ) 1 -60.0 40.0 2
assign  (resid  26 and name c  )
        (resid  27 and name n  )
        (resid  27 and name ca )
        (resid  27 and name c  ) 1 -60.0 40.0 2
assign  (resid  27 and name c  )
        (resid  28 and name n  )
        (resid  28 and name ca )
        (resid  28 and name c  ) 1 -60.0 40.0 2
assign  (resid  28 and name c  )
        (resid  29 and name n  )
        (resid  29 and name ca )
        (resid  29 and name c  ) 1 -90.0 90.0 2
assign  (resid  29 and name c  )
        (resid  30 and name n  )
        (resid  30 and name ca )
        (resid  30 and name c  ) 1 -90.0 90.0 2
assign  (resid  30 and name c  )
        (resid  31 and name n  )
        (resid  31 and name ca )
        (resid  31 and name c  ) 1 -90.0 90.0 2
assign  (resid  31 and name c  )
        (resid  32 and name n  )
        (resid  32 and name ca )
        (resid  32 and name c  ) 1 -90.0 90.0 2
assign  (resid  32 and name c  )
        (resid  33 and name n  )
        (resid  33 and name ca )
        (resid  33 and name c  ) 1 -90.0 90.0 2
assign  (resid  33 and name c  )
        (resid  34 and name n  )
        (resid  34 and name ca )
        (resid  34 and name c  ) 1 -90.0 90.0 2
assign  (resid  34 and name c  )
        (resid  35 and name n  )
        (resid  35 and name ca )
        (resid  35 and name c  ) 1 -90.0 90.0 2
assign  (resid  35 and name c  )
        (resid  36 and name n  )
        (resid  36 and name ca )
        (resid  36 and name c  ) 1 -90.0 90.0 2
assign  (resid  36 and name c  )
        (resid  37 and name n  )
        (resid  37 and name ca )
        (resid  37 and name c  ) 1 -90.0 90.0 2
assign  (resid  37 and name c  )
        (resid  38 and name n  )
        (resid  38 and name ca )
        (resid  38 and name c  ) 1 -90.0 90.0 2
assign  (resid  38 and name c  )
        (resid  39 and name n  )
        (resid  39 and name ca )
        (resid  39 and name c  ) 1 -90.0 90.0 2
assign  (resid  39 and name c  )
        (resid  40 and name n  )
        (resid  40 and name ca )
        (resid  40 and name c  ) 1 -90.0 90.0 2
assign  (resid  40 and name c  )
        (resid  41 and name n  )
        (resid  41 and name ca )
        (resid  41 and name c  ) 1 -90.0 90.0 2
assign  (resid  41 and name c  )
        (resid  42 and name n  )
        (resid  42 and name ca )
        (resid  42 and name c  ) 1 -90.0 90.0 2
assign  (resid  42 and name c  )
        (resid  43 and name n  )
        (resid  43 and name ca )
        (resid  43 and name c  ) 1 -90.0 90.0 2
assign  (resid  45 and name c  )
        (resid  46 and name n  )
        (resid  46 and name ca )
        (resid  46 and name c  ) 1 -90.0 90.0 2
assign  (resid  46 and name c  )
        (resid  47 and name n  )
        (resid  47 and name ca )
        (resid  47 and name c  ) 1 -60.0 40.0 2
assign  (resid  47 and name c  )
        (resid  48 and name n  )
        (resid  48 and name ca )
        (resid  48 and name c  ) 1 -60.0 40.0 2
assign  (resid  48 and name c  )
        (resid  49 and name n  )
        (resid  49 and name ca )
        (resid  49 and name c  ) 1 -60.0 40.0 2
assign  (resid  49 and name c  )
        (resid  50 and name n  )
        (resid  50 and name ca )
        (resid  50 and name c  ) 1 -60.0 40.0 2
assign  (resid  50 and name c  )
        (resid  51 and name n  )
        (resid  51 and name ca )
        (resid  51 and name c  ) 1 -60.0 40.0 2
assign  (resid  51 and name c  )
        (resid  52 and name n  )
        (resid  52 and name ca )
        (resid  52 and name c  ) 1 -60.0 40.0 2
assign  (resid  52 and name c  )
        (resid  53 and name n  )
        (resid  53 and name ca )
        (resid  53 and name c  ) 1 -60.0 40.0 2
assign  (resid  53 and name c  )
        (resid  54 and name n  )
        (resid  54 and name ca )
        (resid  54 and name c  ) 1 -60.0 40.0 2
assign  (resid  54 and name c  )
        (resid  55 and name n  )
        (resid  55 and name ca )
        (resid  55 and name c  ) 1 -60.0 40.0 2
assign  (resid  55 and name c  )
        (resid  56 and name n  )
        (resid  56 and name ca )
        (resid  56 and name c  ) 1 -60.0 40.0 2
assign  (resid  56 and name c  )
        (resid  57 and name n  )
        (resid  57 and name ca )
        (resid  57 and name c  ) 1 -60.0 40.0 2
assign  (resid  57 and name c  )
        (resid  58 and name n  )
        (resid  58 and name ca )
        (resid  58 and name c  ) 1 -60.0 40.0 2
assign  (resid  58 and name c  )
        (resid  59 and name n  )
        (resid  59 and name ca )
        (resid  59 and name c  ) 1 -60.0 40.0 2
assign  (resid  59 and name c  )
        (resid  60 and name n  )
        (resid  60 and name ca )
        (resid  60 and name c  ) 1 -60.0 40.0 2
assign  (resid  60 and name c  )
        (resid  61 and name n  )
        (resid  61 and name ca )
        (resid  61 and name c  ) 1 -60.0 40.0 2
assign  (resid  61 and name c  )
        (resid  62 and name n  )
        (resid  62 and name ca )
        (resid  62 and name c  ) 1 -60.0 40.0 2
assign  (resid  62 and name c  )
        (resid  63 and name n  )
        (resid  63 and name ca )
        (resid  63 and name c  ) 1 -60.0 40.0 2
assign  (resid  63 and name c  )
        (resid  64 and name n  )
        (resid  64 and name ca )
        (resid  64 and name c  ) 1 -90.0 90.0 2
assign  (resid  64 and name c  )
        (resid  65 and name n  )
        (resid  65 and name ca )
        (resid  65 and name c  ) 1 -90.0 90.0 2
assign  (resid  65 and name c  )
        (resid  66 and name n  )
        (resid  66 and name ca )
        (resid  66 and name c  ) 1 -90.0 90.0 2
assign  (resid  66 and name c  )
        (resid  67 and name n  )
        (resid  67 and name ca )
        (resid  67 and name c  ) 1 -90.0 90.0 2
assign  (resid  67 and name c  )
        (resid  68 and name n  )
        (resid  68 and name ca )
        (resid  68 and name c  ) 1 -90.0 90.0 2
assign  (resid  68 and name c  )
        (resid  69 and name n  )
        (resid  69 and name ca )
        (resid  69 and name c  ) 1 -90.0 90.0 2
assign  (resid  69 and name c  )
        (resid  70 and name n  )
        (resid  70 and name ca )
        (resid  70 and name c  ) 1 -90.0 90.0 2
assign  (resid  70 and name c  )
        (resid  71 and name n  )
        (resid  71 and name ca )
        (resid  71 and name c  ) 1 -90.0 90.0 2
assign  (resid  72 and name c  )
        (resid  73 and name n  )
        (resid  73 and name ca )
        (resid  73 and name c  ) 1 -90.0 90.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           HN       MET   1  54.698 -10.516  -9.834
    2    HA   MET   1           HA       MET   1  55.645 -10.071  -7.727
    3   1HB   MET   1           HB2      MET   1  57.574  -8.796  -9.633
    4   2HB   MET   1           HB1      MET   1  57.764  -8.578  -7.894
    5   1HG   MET   1           HG2      MET   1  59.069 -10.516  -8.582
    6   2HG   MET   1           HG1      MET   1  57.697 -11.064  -7.619
    7   1HE   MET   1           HE2      MET   1  59.646 -11.114 -10.696
    8   2HE   MET   1           HE1      MET   1  59.579 -12.703  -9.938
    9   3HE   MET   1           HE3      MET   1  58.959 -12.475 -11.579
   10    H    LEU   2           HN       LEU   2  53.538  -8.710  -7.565
   11    HA   LEU   2           HA       LEU   2  53.791  -5.832  -7.730
   12   1HB   LEU   2           HB2      LEU   2  51.620  -7.196  -7.765
   13   2HB   LEU   2           HB1      LEU   2  51.818  -7.349  -6.020
   14    HG   LEU   2           HG       LEU   2  52.044  -4.792  -5.983
   15   1HD1  LEU   2           HD13     LEU   2  51.272  -5.320  -8.828
   16   2HD1  LEU   2           HD12     LEU   2  50.620  -3.889  -8.031
   17   3HD1  LEU   2           HD11     LEU   2  52.365  -4.101  -8.175
   18   1HD2  LEU   2           HD22     LEU   2  49.706  -6.511  -6.207
   19   2HD2  LEU   2           HD21     LEU   2  49.979  -5.138  -5.134
   20   3HD2  LEU   2           HD23     LEU   2  49.351  -4.874  -6.761
   21    H    GLN   3           HN       GLN   3  55.387  -7.913  -5.801
   22    HA   GLN   3           HA       GLN   3  56.302  -6.007  -3.929
   23   1HB   GLN   3           HB2      GLN   3  55.094  -6.539  -1.909
   24   2HB   GLN   3           HB1      GLN   3  53.895  -6.177  -3.149
   25   1HG   GLN   3           HG2      GLN   3  54.172  -8.838  -3.550
   26   2HG   GLN   3           HG1      GLN   3  54.509  -8.754  -1.821
   27   1HE2  GLN   3           HE22     GLN   3  51.183  -7.050  -1.366
   28   2HE2  GLN   3           HE21     GLN   3  52.792  -6.557  -1.142
   29    H    LYS   4           HN       LYS   4  57.853  -7.704  -5.174
   30    HA   LYS   4           HA       LYS   4  58.128 -10.189  -3.587
   31   1HB   LYS   4           HB2      LYS   4  58.499  -9.609  -6.287
   32   2HB   LYS   4           HB1      LYS   4  60.138  -9.766  -5.654
   33   1HG   LYS   4           HG2      LYS   4  58.026 -11.794  -4.949
   34   2HG   LYS   4           HG1      LYS   4  58.922 -11.919  -6.464
   35   1HD   LYS   4           HD2      LYS   4  60.344 -13.132  -5.117
   36   2HD   LYS   4           HD1      LYS   4  60.996 -11.520  -4.816
   37   1HE   LYS   4           HE2      LYS   4  60.673 -12.555  -2.667
   38   2HE   LYS   4           HE1      LYS   4  59.398 -11.351  -2.854
   39   1HZ   LYS   4           HZ2      LYS   4  58.184 -13.429  -3.912
   40   2HZ   LYS   4           HZ1      LYS   4  59.223 -14.261  -2.856
   41   3HZ   LYS   4           HZ3      LYS   4  58.140 -13.110  -2.243
   42    H    LYS   5           HN       LYS   5  60.274  -7.536  -4.698
   43    HA   LYS   5           HA       LYS   5  62.322  -8.296  -2.797
   44   1HB   LYS   5           HB2      LYS   5  63.624  -6.830  -3.975
   45   2HB   LYS   5           HB1      LYS   5  62.290  -6.864  -5.123
   46   1HG   LYS   5           HG2      LYS   5  61.320  -4.875  -4.170
   47   2HG   LYS   5           HG1      LYS   5  62.492  -4.878  -2.859
   48   1HD   LYS   5           HD2      LYS   5  63.149  -4.549  -5.798
   49   2HD   LYS   5           HD1      LYS   5  63.146  -3.257  -4.597
   50   1HE   LYS   5           HE2      LYS   5  64.784  -4.932  -3.325
   51   2HE   LYS   5           HE1      LYS   5  65.085  -5.501  -4.967
   52   1HZ   LYS   5           HZ1      LYS   5  65.166  -2.846  -5.289
   53   2HZ   LYS   5           HZ3      LYS   5  65.798  -2.991  -3.721
   54   3HZ   LYS   5           HZ2      LYS   5  66.535  -3.814  -5.012
   55    H    ILE   6           HN       ILE   6  59.454  -6.490  -2.655
   56    HA   ILE   6           HA       ILE   6  60.361  -4.893  -0.333
   57    HB   ILE   6           HB       ILE   6  57.653  -4.873  -1.670
   58   1HG1  ILE   6           HG12     ILE   6  59.717  -4.568  -3.214
   59   2HG1  ILE   6           HG11     ILE   6  58.475  -3.303  -3.250
   60   1HG2  ILE   6           HG22     ILE   6  58.963  -3.400   0.470
   61   2HG2  ILE   6           HG21     ILE   6  58.431  -2.322  -0.819
   62   3HG2  ILE   6           HG23     ILE   6  57.269  -3.380  -0.018
   63   1HD1  ILE   6           HD12     ILE   6  60.865  -3.129  -1.410
   64   2HD1  ILE   6           HD11     ILE   6  60.923  -2.527  -3.066
   65   3HD1  ILE   6           HD13     ILE   6  59.781  -1.834  -1.916
   66    H    GLU   7           HN       GLU   7  58.169  -7.547  -1.162
   67    HA   GLU   7           HA       GLU   7  56.991  -7.644   1.506
   68   1HB   GLU   7           HB2      GLU   7  55.879  -9.622   0.767
   69   2HB   GLU   7           HB1      GLU   7  55.956  -8.588  -0.658
   70   1HG   GLU   7           HG2      GLU   7  56.724 -10.594  -1.546
   71   2HG   GLU   7           HG1      GLU   7  58.248  -9.851  -1.059
   72    H    GLU   8           HN       GLU   8  59.836  -8.775  -0.072
   73    HA   GLU   8           HA       GLU   8  60.467 -10.866   1.855
   74   1HB   GLU   8           HB2      GLU   8  62.517 -11.098   0.645
   75   2HB   GLU   8           HB1      GLU   8  61.295 -10.717  -0.569
   76   1HG   GLU   8           HG2      GLU   8  61.959  -8.337  -0.520
   77   2HG   GLU   8           HG1      GLU   8  63.165  -8.711   0.727
   78    H    ILE   9           HN       ILE   9  61.583  -7.527   1.247
   79    HA   ILE   9           HA       ILE   9  63.365  -7.492   3.516
   80    HB   ILE   9           HB       ILE   9  63.322  -5.961   1.403
   81   1HG1  ILE   9           HG12     ILE   9  64.932  -5.732   3.251
   82   2HG1  ILE   9           HG11     ILE   9  64.409  -4.145   2.685
   83   1HG2  ILE   9           HG21     ILE   9  60.997  -5.195   1.710
   84   2HG2  ILE   9           HG23     ILE   9  61.445  -4.462   3.249
   85   3HG2  ILE   9           HG22     ILE   9  62.127  -3.841   1.746
   86   1HD1  ILE   9           HD13     ILE   9  62.534  -4.560   4.569
   87   2HD1  ILE   9           HD12     ILE   9  63.841  -5.522   5.260
   88   3HD1  ILE   9           HD11     ILE   9  64.087  -3.807   4.931
   89    H    ALA  10           HN       ALA  10  59.984  -6.876   2.988
   90    HA   ALA  10           HA       ALA  10  59.464  -5.482   5.464
   91   1HB   ALA  10           HB1      ALA  10  57.690  -7.099   3.620
   92   2HB   ALA  10           HB3      ALA  10  57.090  -6.198   5.011
   93   3HB   ALA  10           HB2      ALA  10  57.848  -5.345   3.668
   94    H    ALA  11           HN       ALA  11  59.015  -8.849   4.405
   95    HA   ALA  11           HA       ALA  11  58.176  -9.837   6.954
   96   1HB   ALA  11           HB1      ALA  11  59.135 -11.010   4.396
   97   2HB   ALA  11           HB3      ALA  11  59.252 -12.031   5.829
   98   3HB   ALA  11           HB2      ALA  11  57.689 -11.384   5.333
   99    H    LYS  12           HN       LYS  12  61.373  -9.296   5.527
  100    HA   LYS  12           HA       LYS  12  62.637 -10.753   7.764
  101   1HB   LYS  12           HB2      LYS  12  64.755 -10.242   6.690
  102   2HB   LYS  12           HB1      LYS  12  63.621 -10.815   5.467
  103   1HG   LYS  12           HG2      LYS  12  64.120  -8.939   4.328
  104   2HG   LYS  12           HG1      LYS  12  63.157  -8.083   5.535
  105   1HD   LYS  12           HD2      LYS  12  65.051  -6.942   6.016
  106   2HD   LYS  12           HD1      LYS  12  65.606  -8.422   6.798
  107   1HE   LYS  12           HE2      LYS  12  66.128  -8.920   4.131
  108   2HE   LYS  12           HE1      LYS  12  66.488  -7.200   4.280
  109   1HZ   LYS  12           HZ3      LYS  12  67.483  -8.725   6.485
  110   2HZ   LYS  12           HZ2      LYS  12  68.129  -9.248   5.003
  111   3HZ   LYS  12           HZ1      LYS  12  68.294  -7.626   5.479
  112    H    TYR  13           HN       TYR  13  61.061  -8.671   8.691
  113    HA   TYR  13           HA       TYR  13  63.049  -6.594   9.492
  114   1HB   TYR  13           HB2      TYR  13  60.075  -6.591   9.180
  115   2HB   TYR  13           HB1      TYR  13  60.782  -5.559  10.419
  116    HD1  TYR  13           HD1      TYR  13  63.319  -4.720   9.301
  117    HD2  TYR  13           HD2      TYR  13  59.526  -5.222   7.353
  118    HE1  TYR  13           HE1      TYR  13  63.993  -3.079   7.568
  119    HE2  TYR  13           HE2      TYR  13  60.201  -3.586   5.619
  120    HH   TYR  13           HH       TYR  13  61.954  -1.539   5.604
  121    H    LYS  14           HN       LYS  14  63.412  -6.254  11.695
  122    HA   LYS  14           HA       LYS  14  62.762  -8.519  13.452
  123   1HB   LYS  14           HB2      LYS  14  64.280  -7.507  15.022
  124   2HB   LYS  14           HB1      LYS  14  65.008  -7.324  13.428
  125   1HG   LYS  14           HG2      LYS  14  63.822  -5.033  13.350
  126   2HG   LYS  14           HG1      LYS  14  63.606  -5.234  15.089
  127   1HD   LYS  14           HD2      LYS  14  66.249  -5.267  13.602
  128   2HD   LYS  14           HD1      LYS  14  65.662  -3.978  14.653
  129   1HE   LYS  14           HE2      LYS  14  66.178  -6.834  15.535
  130   2HE   LYS  14           HE1      LYS  14  67.263  -5.474  15.826
  131   1HZ   LYS  14           HZ1      LYS  14  64.940  -4.512  16.738
  132   2HZ   LYS  14           HZ3      LYS  14  64.764  -6.156  17.117
  133   3HZ   LYS  14           HZ2      LYS  14  66.096  -5.286  17.713
  134    H    HIS  15           HN       HIS  15  60.458  -7.029  12.630
  135    HA   HIS  15           HA       HIS  15  59.256  -6.501  15.183
  136   1HB   HIS  15           HB2      HIS  15  60.703  -4.346  13.965
  137   2HB   HIS  15           HB1      HIS  15  58.984  -3.951  13.946
  138    HD1  HIS  15           HD1      HIS  15  61.889  -4.485  16.220
  139    HD2  HIS  15           HD2      HIS  15  57.791  -3.788  16.571
  140    HE1  HIS  15           HE1      HIS  15  61.469  -3.877  18.644
  141    H    SER  16           HN       SER  16  57.404  -7.556  14.583
  142    HA   SER  16           HA       SER  16  56.209  -7.896  12.142
  143   1HB   SER  16           HB2      SER  16  54.714  -7.208  14.685
  144   2HB   SER  16           HB1      SER  16  54.039  -8.040  13.287
  145    HG   SER  16           HG       SER  16  54.708  -9.544  14.825
  146    H    VAL  17           HN       VAL  17  55.769  -4.927  14.130
  147    HA   VAL  17           HA       VAL  17  53.889  -3.672  12.418
  148    HB   VAL  17           HB       VAL  17  55.998  -2.273  14.079
  149   1HG1  VAL  17           HG13     VAL  17  53.453  -1.512  12.729
  150   2HG1  VAL  17           HG12     VAL  17  53.746  -0.817  14.323
  151   3HG1  VAL  17           HG11     VAL  17  54.903  -0.550  13.019
  152   1HG2  VAL  17           HG23     VAL  17  53.776  -4.015  14.846
  153   2HG2  VAL  17           HG22     VAL  17  55.080  -3.363  15.839
  154   3HG2  VAL  17           HG21     VAL  17  53.631  -2.401  15.543
  155    H    VAL  18           HN       VAL  18  57.460  -3.575  12.365
  156    HA   VAL  18           HA       VAL  18  57.825  -1.585  10.416
  157    HB   VAL  18           HB       VAL  18  59.375  -4.188  10.494
  158   1HG1  VAL  18           HG13     VAL  18  59.674  -2.319   8.682
  159   2HG1  VAL  18           HG12     VAL  18  60.467  -1.440   9.989
  160   3HG1  VAL  18           HG11     VAL  18  61.101  -2.998   9.465
  161   1HG2  VAL  18           HG21     VAL  18  58.962  -2.603  12.685
  162   2HG2  VAL  18           HG23     VAL  18  60.416  -3.559  12.409
  163   3HG2  VAL  18           HG22     VAL  18  60.390  -1.854  11.979
  164    H    LYS  19           HN       LYS  19  56.421  -4.737  10.126
  165    HA   LYS  19           HA       LYS  19  56.809  -5.196   7.340
  166   1HB   LYS  19           HB2      LYS  19  55.595  -6.584   9.335
  167   2HB   LYS  19           HB1      LYS  19  54.179  -5.956   8.491
  168   1HG   LYS  19           HG2      LYS  19  55.325  -6.788   6.333
  169   2HG   LYS  19           HG1      LYS  19  56.375  -7.717   7.403
  170   1HD   LYS  19           HD2      LYS  19  53.360  -7.848   7.593
  171   2HD   LYS  19           HD1      LYS  19  54.287  -8.928   6.550
  172   1HE   LYS  19           HE2      LYS  19  55.705  -9.304   8.761
  173   2HE   LYS  19           HE1      LYS  19  54.211  -8.785   9.540
  174   1HZ   LYS  19           HZ2      LYS  19  53.578 -10.601   7.501
  175   2HZ   LYS  19           HZ1      LYS  19  54.806 -11.286   8.454
  176   3HZ   LYS  19           HZ3      LYS  19  53.359 -10.778   9.176
  177    H    LYS  20           HN       LYS  20  54.035  -3.676   9.030
  178    HA   LYS  20           HA       LYS  20  52.654  -2.868   6.678
  179   1HB   LYS  20           HB2      LYS  20  51.472  -2.793   8.750
  180   2HB   LYS  20           HB1      LYS  20  52.691  -1.754   9.484
  181   1HG   LYS  20           HG2      LYS  20  51.489   0.036   8.834
  182   2HG   LYS  20           HG1      LYS  20  51.806  -0.400   7.153
  183   1HD   LYS  20           HD2      LYS  20  49.362  -0.205   7.691
  184   2HD   LYS  20           HD1      LYS  20  49.822  -1.797   7.087
  185   1HE   LYS  20           HE2      LYS  20  49.065  -2.755   8.974
  186   2HE   LYS  20           HE1      LYS  20  50.167  -1.767   9.933
  187   1HZ   LYS  20           HZ2      LYS  20  48.120  -0.096   9.117
  188   2HZ   LYS  20           HZ1      LYS  20  47.367  -1.526   9.641
  189   3HZ   LYS  20           HZ3      LYS  20  48.406  -0.684  10.685
  190    H    CYS  21           HN       CYS  21  55.028  -1.131   8.690
  191    HA   CYS  21           HA       CYS  21  55.030   1.353   7.401
  192   1HB   CYS  21           HB2      CYS  21  57.312  -0.233   8.604
  193   2HB   CYS  21           HB1      CYS  21  57.488   1.430   8.050
  194    H    CYS  22           HN       CYS  22  56.967  -1.518   6.532
  195    HA   CYS  22           HA       CYS  22  58.063  -0.295   4.153
  196   1HB   CYS  22           HB2      CYS  22  59.322  -2.104   4.983
  197   2HB   CYS  22           HB1      CYS  22  57.898  -3.115   5.215
  198    H    TYR  23           HN       TYR  23  55.103  -1.946   4.961
  199    HA   TYR  23           HA       TYR  23  54.299  -2.783   2.373
  200   1HB   TYR  23           HB2      TYR  23  53.072  -2.429   4.943
  201   2HB   TYR  23           HB1      TYR  23  52.004  -1.804   3.700
  202    HD1  TYR  23           HD2      TYR  23  51.829  -3.291   1.513
  203    HD2  TYR  23           HD1      TYR  23  53.027  -4.670   5.391
  204    HE1  TYR  23           HE2      TYR  23  51.231  -5.612   0.866
  205    HE2  TYR  23           HE1      TYR  23  52.439  -6.956   4.747
  206    HH   TYR  23           HH       TYR  23  50.539  -7.753   2.168
  207    H    ASP  24           HN       ASP  24  53.532   0.251   4.106
  208    HA   ASP  24           HA       ASP  24  52.371   1.554   1.833
  209   1HB   ASP  24           HB2      ASP  24  53.809   3.036   4.028
  210   2HB   ASP  24           HB1      ASP  24  52.355   3.510   3.151
  211    H    GLY  25           HN       GLY  25  55.667   1.644   3.220
  212   1HA   GLY  25           HA2      GLY  25  56.935   3.473   1.612
  213   2HA   GLY  25           HA1      GLY  25  57.704   1.946   2.060
  214    H    ALA  26           HN       ALA  26  56.479   0.035   0.696
  215    HA   ALA  26           HA       ALA  26  57.298   0.366  -2.018
  216   1HB   ALA  26           HB1      ALA  26  56.392  -1.750  -0.399
  217   2HB   ALA  26           HB3      ALA  26  55.234  -1.653  -1.726
  218   3HB   ALA  26           HB2      ALA  26  56.951  -1.863  -2.068
  219    H    CYS  27           HN       CYS  27  54.126   0.678  -0.426
  220    HA   CYS  27           HA       CYS  27  52.807   1.281  -2.997
  221   1HB   CYS  27           HB2      CYS  27  51.667   1.525  -0.201
  222   2HB   CYS  27           HB1      CYS  27  50.769   1.407  -1.714
  223    HG   CYS  27           HG       CYS  27  50.798  -1.031  -1.218
  224    H    VAL  28           HN       VAL  28  54.925   2.994  -1.491
  225    HA   VAL  28           HA       VAL  28  54.304   5.359  -0.445
  226    HB   VAL  28           HB       VAL  28  56.533   5.105  -1.200
  227   1HG1  VAL  28           HG12     VAL  28  55.347   4.843  -3.976
  228   2HG1  VAL  28           HG11     VAL  28  57.076   4.946  -3.645
  229   3HG1  VAL  28           HG13     VAL  28  56.142   3.577  -3.041
  230   1HG2  VAL  28           HG23     VAL  28  55.166   7.439  -1.733
  231   2HG2  VAL  28           HG22     VAL  28  56.916   7.255  -1.845
  232   3HG2  VAL  28           HG21     VAL  28  55.918   7.093  -3.290
  233    H    ASN  29           HN       ASN  29  53.377   7.353  -1.007
  234    HA   ASN  29           HA       ASN  29  51.046   7.410  -2.516
  235   1HB   ASN  29           HB2      ASN  29  52.722   9.339  -1.216
  236   2HB   ASN  29           HB1      ASN  29  52.229   9.985  -2.782
  237   1HD2  ASN  29           HD22     ASN  29  48.783  10.223  -1.903
  238   2HD2  ASN  29           HD21     ASN  29  49.889  10.209  -3.191
  239    H    ASN  30           HN       ASN  30  54.222   8.665  -3.670
  240    HA   ASN  30           HA       ASN  30  53.770   7.552  -6.310
  241   1HB   ASN  30           HB2      ASN  30  52.192   9.387  -6.495
  242   2HB   ASN  30           HB1      ASN  30  53.402  10.532  -5.912
  243   1HD2  ASN  30           HD22     ASN  30  55.149  10.681  -9.024
  244   2HD2  ASN  30           HD21     ASN  30  55.279  10.967  -7.356
  245    H    ASP  31           HN       ASP  31  55.380  10.481  -4.980
  246    HA   ASP  31           HA       ASP  31  57.889   9.483  -6.251
  247   1HB   ASP  31           HB2      ASP  31  56.663  11.968  -6.388
  248   2HB   ASP  31           HB1      ASP  31  57.957  12.214  -5.216
  249    H    GLU  32           HN       GLU  32  59.725  10.976  -4.854
  250    HA   GLU  32           HA       GLU  32  60.628   9.467  -2.786
  251   1HB   GLU  32           HB2      GLU  32  60.817  12.366  -3.386
  252   2HB   GLU  32           HB1      GLU  32  61.275  11.882  -1.752
  253   1HG   GLU  32           HG2      GLU  32  62.339  10.525  -4.241
  254   2HG   GLU  32           HG1      GLU  32  63.170  11.855  -3.434
  255    H    THR  33           HN       THR  33  59.014  12.498  -1.818
  256    HA   THR  33           HA       THR  33  58.446  11.869   0.811
  257    HB   THR  33           HB       THR  33  57.811  14.032   0.293
  258    HG1  THR  33           HG1      THR  33  55.374  13.936   0.080
  259   1HG2  THR  33           HG22     THR  33  56.723  12.787  -2.213
  260   2HG2  THR  33           HG21     THR  33  56.203  14.402  -1.730
  261   3HG2  THR  33           HG23     THR  33  57.910  14.081  -2.041
  262    H    CYS  34           HN       CYS  34  57.969   9.586   0.907
  263    HA   CYS  34           HA       CYS  34  55.480   8.610  -0.312
  264   1HB   CYS  34           HB2      CYS  34  56.483   6.855   1.770
  265   2HB   CYS  34           HB1      CYS  34  56.325   6.543   0.051
  266    H    GLU  35           HN       GLU  35  56.396   8.098   3.086
  267    HA   GLU  35           HA       GLU  35  53.707   8.473   3.979
  268   1HB   GLU  35           HB2      GLU  35  56.120   7.678   5.156
  269   2HB   GLU  35           HB1      GLU  35  55.665   9.147   6.018
  270   1HG   GLU  35           HG2      GLU  35  53.747   6.875   5.491
  271   2HG   GLU  35           HG1      GLU  35  54.705   6.989   6.964
  272    H    GLN  36           HN       GLN  36  56.319  10.580   3.167
  273    HA   GLN  36           HA       GLN  36  55.491  12.937   4.569
  274   1HB   GLN  36           HB2      GLN  36  57.161  12.345   2.157
  275   2HB   GLN  36           HB1      GLN  36  56.537  13.987   2.322
  276   1HG   GLN  36           HG2      GLN  36  57.462  13.314   4.882
  277   2HG   GLN  36           HG1      GLN  36  58.692  12.697   3.778
  278   1HE2  GLN  36           HE22     GLN  36  57.867  16.713   3.397
  279   2HE2  GLN  36           HE21     GLN  36  56.582  15.621   3.584
  280    H    ARG  37           HN       ARG  37  54.722  11.584   1.344
  281    HA   ARG  37           HA       ARG  37  52.810  13.588   0.618
  282   1HB   ARG  37           HB2      ARG  37  53.395  10.780  -0.186
  283   2HB   ARG  37           HB1      ARG  37  51.755  11.347  -0.504
  284   1HG   ARG  37           HG2      ARG  37  54.017  13.155  -1.238
  285   2HG   ARG  37           HG1      ARG  37  53.722  11.748  -2.261
  286   1HD   ARG  37           HD2      ARG  37  51.179  12.679  -1.933
  287   2HD   ARG  37           HD1      ARG  37  52.091  14.189  -1.895
  288    HE   ARG  37           HE       ARG  37  52.737  12.351  -4.111
  289   1HH1  ARG  37           HH21     ARG  37  50.205  14.396  -3.236
  290   2HH1  ARG  37           HH22     ARG  37  50.285  15.381  -4.658
  291   1HH2  ARG  37           HH12     ARG  37  53.205  13.924  -5.827
  292   2HH2  ARG  37           HH11     ARG  37  51.983  15.114  -6.125
  293    H    ALA  38           HN       ALA  38  52.705  10.712   2.648
  294    HA   ALA  38           HA       ALA  38  49.955  10.424   3.130
  295   1HB   ALA  38           HB2      ALA  38  52.080   9.215   4.187
  296   2HB   ALA  38           HB1      ALA  38  51.832  10.388   5.477
  297   3HB   ALA  38           HB3      ALA  38  50.552   9.250   5.060
  298    H    ALA  39           HN       ALA  39  52.092  12.222   5.321
  299    HA   ALA  39           HA       ALA  39  50.746  14.712   5.218
  300   1HB   ALA  39           HB1      ALA  39  49.728  12.825   7.368
  301   2HB   ALA  39           HB3      ALA  39  49.454  14.567   7.373
  302   3HB   ALA  39           HB2      ALA  39  48.776  13.571   6.085
  303    H    ARG  40           HN       ARG  40  52.255  12.312   7.288
  304    HA   ARG  40           HA       ARG  40  54.590  13.828   7.842
  305   1HB   ARG  40           HB2      ARG  40  52.279  14.513   9.480
  306   2HB   ARG  40           HB1      ARG  40  53.612  13.901  10.460
  307   1HG   ARG  40           HG2      ARG  40  55.138  15.505   9.275
  308   2HG   ARG  40           HG1      ARG  40  53.722  16.188   8.476
  309   1HD   ARG  40           HD2      ARG  40  53.433  17.521  10.267
  310   2HD   ARG  40           HD1      ARG  40  53.065  16.079  11.213
  311    HE   ARG  40           HE       ARG  40  55.874  17.057  10.904
  312   1HH1  ARG  40           HH12     ARG  40  56.731  15.337  12.523
  313   2HH1  ARG  40           HH11     ARG  40  56.053  15.520  14.106
  314   1HH2  ARG  40           HH21     ARG  40  53.458  17.563  13.047
  315   2HH2  ARG  40           HH22     ARG  40  54.200  16.781  14.403
  316    H    ILE  41           HN       ILE  41  55.924  12.049   8.063
  317    HA   ILE  41           HA       ILE  41  55.021   9.481   8.793
  318    HB   ILE  41           HB       ILE  41  57.283   9.942   7.776
  319   1HG1  ILE  41           HG12     ILE  41  58.375   8.127   9.054
  320   2HG1  ILE  41           HG11     ILE  41  57.153   8.303  10.313
  321   1HG2  ILE  41           HG21     ILE  41  57.666  11.740   9.707
  322   2HG2  ILE  41           HG23     ILE  41  58.344  10.339  10.537
  323   3HG2  ILE  41           HG22     ILE  41  59.016  10.859   8.991
  324   1HD1  ILE  41           HD13     ILE  41  56.181   7.984   7.518
  325   2HD1  ILE  41           HD12     ILE  41  56.849   6.555   8.302
  326   3HD1  ILE  41           HD11     ILE  41  55.476   7.397   9.022
  327    H    SER  42           HN       SER  42  53.662   9.540  10.519
  328    HA   SER  42           HA       SER  42  55.075   9.825  13.078
  329   1HB   SER  42           HB2      SER  42  53.506  11.226  14.045
  330   2HB   SER  42           HB1      SER  42  53.537  11.850  12.394
  331    HG   SER  42           HG       SER  42  51.656  10.835  11.974
  332    H    LEU  43           HN       LEU  43  54.805   7.467  11.978
  333    HA   LEU  43           HA       LEU  43  52.543   6.319  13.495
  334   1HB   LEU  43           HB2      LEU  43  53.822   5.306  10.939
  335   2HB   LEU  43           HB1      LEU  43  52.625   4.402  11.867
  336    HG   LEU  43           HG       LEU  43  51.832   7.176  11.286
  337   1HD1  LEU  43           HD11     LEU  43  52.648   5.296   9.118
  338   2HD1  LEU  43           HD13     LEU  43  51.149   6.196   8.887
  339   3HD1  LEU  43           HD12     LEU  43  52.665   7.059   9.142
  340   1HD2  LEU  43           HD23     LEU  43  50.584   4.430  10.975
  341   2HD2  LEU  43           HD22     LEU  43  50.264   5.607  12.249
  342   3HD2  LEU  43           HD21     LEU  43  49.741   5.933  10.596
  343    H    GLY  44           HN       GLY  44  55.838   6.704  13.367
  344   1HA   GLY  44           HA2      GLY  44  56.648   5.388  15.570
  345   2HA   GLY  44           HA1      GLY  44  56.489   4.026  14.462
  346    HA   PRO  45           HA       PRO  45  60.701   6.175  13.866
  347   1HB   PRO  45           HB2      PRO  45  62.213   4.448  15.314
  348   2HB   PRO  45           HB1      PRO  45  61.452   5.877  16.021
  349   1HG   PRO  45           HG2      PRO  45  60.706   3.028  16.297
  350   2HG   PRO  45           HG1      PRO  45  60.503   4.366  17.436
  351   1HD   PRO  45           HD2      PRO  45  58.505   3.270  15.830
  352   2HD   PRO  45           HD1      PRO  45  58.413   4.814  16.678
  353    H    ARG  46           HN       ARG  46  60.469   2.633  14.406
  354    HA   ARG  46           HA       ARG  46  62.196   1.812  12.365
  355   1HB   ARG  46           HB2      ARG  46  61.230  -0.324  12.556
  356   2HB   ARG  46           HB1      ARG  46  60.908   0.409  14.122
  357   1HG   ARG  46           HG2      ARG  46  58.916   0.510  11.846
  358   2HG   ARG  46           HG1      ARG  46  58.931  -0.778  13.046
  359   1HD   ARG  46           HD2      ARG  46  58.739   2.165  13.733
  360   2HD   ARG  46           HD1      ARG  46  57.355   1.085  13.611
  361    HE   ARG  46           HE       ARG  46  59.558   0.673  15.593
  362   1HH1  ARG  46           HH12     ARG  46  57.698  -1.603  15.276
  363   2HH1  ARG  46           HH11     ARG  46  56.476  -1.270  16.458
  364   1HH2  ARG  46           HH21     ARG  46  57.367   2.062  16.824
  365   2HH2  ARG  46           HH22     ARG  46  56.289   0.805  17.335
  366    H    CYS  47           HN       CYS  47  59.033   3.161  12.160
  367    HA   CYS  47           HA       CYS  47  58.296   2.341   9.493
  368   1HB   CYS  47           HB2      CYS  47  57.218   3.942  11.551
  369   2HB   CYS  47           HB1      CYS  47  57.442   5.031  10.174
  370    H    ILE  48           HN       ILE  48  59.572   5.441  10.675
  371    HA   ILE  48           HA       ILE  48  59.910   6.862   8.405
  372    HB   ILE  48           HB       ILE  48  61.669   6.529  10.805
  373   1HG1  ILE  48           HG12     ILE  48  61.086   8.944  11.033
  374   2HG1  ILE  48           HG11     ILE  48  60.170   8.840   9.530
  375   1HG2  ILE  48           HG21     ILE  48  62.414   7.838   8.220
  376   2HG2  ILE  48           HG23     ILE  48  62.912   8.593   9.734
  377   3HG2  ILE  48           HG22     ILE  48  63.429   6.949   9.356
  378   1HD1  ILE  48           HD12     ILE  48  58.747   7.075  10.551
  379   2HD1  ILE  48           HD11     ILE  48  59.625   7.274  12.066
  380   3HD1  ILE  48           HD13     ILE  48  58.654   8.601  11.430
  381    H    LYS  49           HN       LYS  49  62.553   4.637   9.446
  382    HA   LYS  49           HA       LYS  49  63.693   4.735   6.758
  383   1HB   LYS  49           HB2      LYS  49  64.474   3.624   9.395
  384   2HB   LYS  49           HB1      LYS  49  65.122   2.799   7.976
  385   1HG   LYS  49           HG2      LYS  49  65.316   5.621   7.537
  386   2HG   LYS  49           HG1      LYS  49  65.999   5.258   9.122
  387   1HD   LYS  49           HD2      LYS  49  67.717   4.020   8.251
  388   2HD   LYS  49           HD1      LYS  49  66.734   3.400   6.924
  389   1HE   LYS  49           HE2      LYS  49  66.844   5.643   5.840
  390   2HE   LYS  49           HE1      LYS  49  67.915   6.186   7.132
  391   1HZ   LYS  49           HZ2      LYS  49  68.947   3.792   6.200
  392   2HZ   LYS  49           HZ1      LYS  49  68.546   4.696   4.818
  393   3HZ   LYS  49           HZ3      LYS  49  69.593   5.349   5.982
  394    H    ALA  50           HN       ALA  50  61.497   2.579   8.426
  395    HA   ALA  50           HA       ALA  50  62.087   0.285   6.777
  396   1HB   ALA  50           HB2      ALA  50  59.592   0.988   8.361
  397   2HB   ALA  50           HB1      ALA  50  59.914  -0.584   7.629
  398   3HB   ALA  50           HB3      ALA  50  60.938   0.006   8.937
  399    H    PHE  51           HN       PHE  51  59.270   2.439   6.887
  400    HA   PHE  51           HA       PHE  51  58.333   1.700   4.337
  401   1HB   PHE  51           HB2      PHE  51  56.660   3.207   4.700
  402   2HB   PHE  51           HB1      PHE  51  57.247   3.114   6.350
  403    HD1  PHE  51           HD2      PHE  51  57.652   5.059   3.162
  404    HD2  PHE  51           HD1      PHE  51  58.032   5.042   7.424
  405    HE1  PHE  51           HE2      PHE  51  58.168   7.486   3.132
  406    HE2  PHE  51           HE1      PHE  51  58.534   7.459   7.398
  407    HZ   PHE  51           HZ       PHE  51  58.602   8.685   5.266
  408    H    THR  52           HN       THR  52  60.279   4.510   5.397
  409    HA   THR  52           HA       THR  52  60.451   5.769   2.895
  410    HB   THR  52           HB       THR  52  62.552   5.564   5.064
  411    HG1  THR  52           HG1      THR  52  61.766   7.830   5.247
  412   1HG2  THR  52           HG22     THR  52  62.507   7.028   2.447
  413   2HG2  THR  52           HG21     THR  52  63.311   7.759   3.836
  414   3HG2  THR  52           HG23     THR  52  63.845   6.190   3.233
  415    H    GLU  53           HN       GLU  53  62.495   3.198   4.222
  416    HA   GLU  53           HA       GLU  53  64.273   2.941   2.026
  417   1HB   GLU  53           HB2      GLU  53  64.781   1.926   4.157
  418   2HB   GLU  53           HB1      GLU  53  63.326   0.940   4.056
  419   1HG   GLU  53           HG2      GLU  53  65.499  -0.236   3.420
  420   2HG   GLU  53           HG1      GLU  53  64.191  -0.341   2.242
  421    H    CYS  54           HN       CYS  54  61.495   0.849   2.842
  422    HA   CYS  54           HA       CYS  54  61.481  -0.655   0.458
  423   1HB   CYS  54           HB2      CYS  54  59.462   0.031   2.538
  424   2HB   CYS  54           HB1      CYS  54  58.880  -0.675   1.028
  425    H    CYS  55           HN       CYS  55  60.296   2.547   1.111
  426    HA   CYS  55           HA       CYS  55  58.750   2.707  -1.354
  427   1HB   CYS  55           HB2      CYS  55  57.794   4.138   0.167
  428   2HB   CYS  55           HB1      CYS  55  59.303   4.417   1.007
  429    H    VAL  56           HN       VAL  56  62.004   3.417  -0.306
  430    HA   VAL  56           HA       VAL  56  62.613   5.044  -2.662
  431    HB   VAL  56           HB       VAL  56  64.479   3.665  -0.698
  432   1HG1  VAL  56           HG12     VAL  56  64.844   5.601  -2.952
  433   2HG1  VAL  56           HG11     VAL  56  65.911   5.714  -1.551
  434   3HG1  VAL  56           HG13     VAL  56  65.838   4.221  -2.487
  435   1HG2  VAL  56           HG21     VAL  56  62.680   5.805  -0.269
  436   2HG2  VAL  56           HG23     VAL  56  63.985   5.279   0.793
  437   3HG2  VAL  56           HG22     VAL  56  64.279   6.534  -0.410
  438    H    VAL  57           HN       VAL  57  63.391   1.749  -1.569
  439    HA   VAL  57           HA       VAL  57  64.742   0.971  -3.951
  440    HB   VAL  57           HB       VAL  57  64.276  -1.322  -3.186
  441   1HG1  VAL  57           HG13     VAL  57  65.266   0.794  -1.362
  442   2HG1  VAL  57           HG12     VAL  57  64.887  -0.748  -0.595
  443   3HG1  VAL  57           HG11     VAL  57  66.065  -0.682  -1.905
  444   1HG2  VAL  57           HG22     VAL  57  62.413   0.073  -1.245
  445   2HG2  VAL  57           HG21     VAL  57  61.956  -1.071  -2.507
  446   3HG2  VAL  57           HG23     VAL  57  62.884  -1.621  -1.112
  447    H    ALA  58           HN       ALA  58  61.419   0.871  -2.786
  448    HA   ALA  58           HA       ALA  58  60.254  -0.304  -5.118
  449   1HB   ALA  58           HB3      ALA  58  59.174   1.587  -3.009
  450   2HB   ALA  58           HB2      ALA  58  58.169   0.906  -4.288
  451   3HB   ALA  58           HB1      ALA  58  58.925  -0.157  -3.100
  452    H    SER  59           HN       SER  59  61.375   2.825  -4.198
  453    HA   SER  59           HA       SER  59  60.109   4.436  -6.168
  454   1HB   SER  59           HB2      SER  59  61.534   5.081  -4.097
  455   2HB   SER  59           HB1      SER  59  62.883   5.000  -5.222
  456    HG   SER  59           HG       SER  59  60.562   6.379  -5.964
  457    H    GLN  60           HN       GLN  60  63.159   2.656  -6.155
  458    HA   GLN  60           HA       GLN  60  63.923   3.489  -8.837
  459   1HB   GLN  60           HB2      GLN  60  65.108   2.112  -6.633
  460   2HB   GLN  60           HB1      GLN  60  65.221   1.081  -8.062
  461   1HG   GLN  60           HG2      GLN  60  66.468   2.662  -9.261
  462   2HG   GLN  60           HG1      GLN  60  65.889   4.002  -8.267
  463   1HE2  GLN  60           HE22     GLN  60  68.227   3.314  -5.593
  464   2HE2  GLN  60           HE21     GLN  60  66.651   3.882  -5.868
  465    H    LEU  61           HN       LEU  61  62.128   0.882  -7.402
  466    HA   LEU  61           HA       LEU  61  62.245  -0.908  -9.661
  467   1HB   LEU  61           HB2      LEU  61  60.408  -0.625  -7.282
  468   2HB   LEU  61           HB1      LEU  61  60.195  -1.892  -8.480
  469    HG   LEU  61           HG       LEU  61  62.504  -1.455  -6.623
  470   1HD1  LEU  61           HD13     LEU  61  60.209  -3.168  -6.707
  471   2HD1  LEU  61           HD12     LEU  61  61.660  -4.161  -6.851
  472   3HD1  LEU  61           HD11     LEU  61  61.463  -3.080  -5.470
  473   1HD2  LEU  61           HD21     LEU  61  62.428  -2.761  -9.290
  474   2HD2  LEU  61           HD23     LEU  61  63.793  -2.051  -8.428
  475   3HD2  LEU  61           HD22     LEU  61  63.230  -3.669  -8.008
  476    H    ARG  62           HN       ARG  62  60.182   1.740  -8.615
  477    HA   ARG  62           HA       ARG  62  58.485   1.346 -11.003
  478   1HB   ARG  62           HB2      ARG  62  56.905   2.855  -9.979
  479   2HB   ARG  62           HB1      ARG  62  57.413   1.692  -8.754
  480   1HG   ARG  62           HG2      ARG  62  58.856   3.264  -7.710
  481   2HG   ARG  62           HG1      ARG  62  58.780   4.366  -9.083
  482   1HD   ARG  62           HD2      ARG  62  57.270   5.399  -7.660
  483   2HD   ARG  62           HD1      ARG  62  56.180   4.325  -8.536
  484    HE   ARG  62           HE       ARG  62  57.328   3.572  -5.875
  485   1HH1  ARG  62           HH12     ARG  62  55.998   1.390  -5.977
  486   2HH1  ARG  62           HH11     ARG  62  54.293   1.686  -5.932
  487   1HH2  ARG  62           HH21     ARG  62  54.589   5.042  -6.750
  488   2HH2  ARG  62           HH22     ARG  62  53.495   3.756  -6.367
  489    H    ALA  63           HN       ALA  63  61.194   3.188 -10.047
  490    HA   ALA  63           HA       ALA  63  60.479   5.408 -11.894
  491   1HB   ALA  63           HB3      ALA  63  62.673   5.054  -9.840
  492   2HB   ALA  63           HB2      ALA  63  62.647   6.399 -10.981
  493   3HB   ALA  63           HB1      ALA  63  61.342   6.210  -9.810
  494    H    ASN  64           HN       ASN  64  60.828   3.190 -13.372
  495    HA   ASN  64           HA       ASN  64  63.007   3.820 -15.091
  496   1HB   ASN  64           HB2      ASN  64  64.348   2.926 -13.185
  497   2HB   ASN  64           HB1      ASN  64  63.503   1.386 -13.351
  498   1HD2  ASN  64           HD22     ASN  64  66.706   1.350 -15.372
  499   2HD2  ASN  64           HD21     ASN  64  66.378   1.720 -13.748
  500    H    ILE  65           HN       ILE  65  60.764   1.376 -13.890
  501    HA   ILE  65           HA       ILE  65  60.602   0.280 -16.668
  502    HB   ILE  65           HB       ILE  65  59.424  -1.174 -14.332
  503   1HG1  ILE  65           HG12     ILE  65  61.634  -0.527 -13.496
  504   2HG1  ILE  65           HG11     ILE  65  61.645  -2.240 -13.917
  505   1HG2  ILE  65           HG22     ILE  65  60.059  -1.663 -17.091
  506   2HG2  ILE  65           HG21     ILE  65  60.978  -2.785 -16.088
  507   3HG2  ILE  65           HG23     ILE  65  59.221  -2.720 -15.955
  508   1HD1  ILE  65           HD11     ILE  65  62.339  -0.511 -16.178
  509   2HD1  ILE  65           HD13     ILE  65  63.461  -0.355 -14.826
  510   3HD1  ILE  65           HD12     ILE  65  63.174  -1.935 -15.557
  511    H    SER  66           HN       SER  66  58.141  -0.969 -16.503
  512    HA   SER  66           HA       SER  66  56.055   0.686 -15.418
  513   1HB   SER  66           HB2      SER  66  57.231   1.675 -17.790
  514   2HB   SER  66           HB1      SER  66  55.694   0.963 -18.271
  515    HG   SER  66           HG       SER  66  54.970   2.177 -16.229
  516    H    HIS  67           HN       HIS  67  56.850  -2.144 -15.784
  517    HA   HIS  67           HA       HIS  67  54.261  -3.111 -16.854
  518   1HB   HIS  67           HB2      HIS  67  56.468  -3.209 -18.461
  519   2HB   HIS  67           HB1      HIS  67  56.576  -4.767 -17.645
  520    HD1  HIS  67           HD1      HIS  67  55.678  -6.340 -19.405
  521    HD2  HIS  67           HD2      HIS  67  53.193  -3.044 -18.826
  522    HE1  HIS  67           HE1      HIS  67  53.581  -6.777 -20.757
  523    H    LYS  68           HN       LYS  68  55.456  -5.905 -16.707
  524    HA   LYS  68           HA       LYS  68  54.585  -6.813 -14.285
  525   1HB   LYS  68           HB2      LYS  68  56.900  -7.646 -15.991
  526   2HB   LYS  68           HB1      LYS  68  56.723  -8.390 -14.402
  527   1HG   LYS  68           HG2      LYS  68  54.403  -9.035 -14.966
  528   2HG   LYS  68           HG1      LYS  68  54.598  -8.314 -16.564
  529   1HD   LYS  68           HD2      LYS  68  56.409  -9.879 -17.082
  530   2HD   LYS  68           HD1      LYS  68  56.302 -10.568 -15.462
  531   1HE   LYS  68           HE2      LYS  68  53.748 -10.886 -16.163
  532   2HE   LYS  68           HE1      LYS  68  54.447 -10.883 -17.782
  533   1HZ   LYS  68           HZ1      LYS  68  55.759 -12.512 -15.743
  534   2HZ   LYS  68           HZ3      LYS  68  54.276 -13.070 -16.348
  535   3HZ   LYS  68           HZ2      LYS  68  55.576 -12.796 -17.408
  536    H    ASP  69           HN       ASP  69  57.889  -5.576 -14.800
  537    HA   ASP  69           HA       ASP  69  58.722  -5.741 -12.100
  538   1HB   ASP  69           HB2      ASP  69  59.835  -4.872 -14.543
  539   2HB   ASP  69           HB1      ASP  69  59.900  -3.476 -13.466
  540    H    MET  70           HN       MET  70  57.660  -2.871 -13.965
  541    HA   MET  70           HA       MET  70  57.356  -1.230 -11.607
  542   1HB   MET  70           HB2      MET  70  57.699  -0.453 -14.024
  543   2HB   MET  70           HB1      MET  70  55.985  -0.786 -14.266
  544   1HG   MET  70           HG2      MET  70  56.954   0.956 -12.002
  545   2HG   MET  70           HG1      MET  70  56.626   1.618 -13.602
  546   1HE   MET  70           HE1      MET  70  55.192   3.152 -12.998
  547   2HE   MET  70           HE3      MET  70  54.029   2.518 -14.170
  548   3HE   MET  70           HE2      MET  70  53.493   2.991 -12.560
  549    H    GLN  71           HN       GLN  71  54.732  -2.122 -13.875
  550    HA   GLN  71           HA       GLN  71  52.538  -1.628 -12.321
  551   1HB   GLN  71           HB2      GLN  71  52.566  -2.665 -14.638
  552   2HB   GLN  71           HB1      GLN  71  52.818  -4.224 -13.853
  553   1HG   GLN  71           HG2      GLN  71  50.679  -4.319 -13.051
  554   2HG   GLN  71           HG1      GLN  71  50.598  -2.579 -12.772
  555   1HE2  GLN  71           HE22     GLN  71  50.198  -3.456 -16.745
  556   2HE2  GLN  71           HE21     GLN  71  51.571  -3.972 -15.892
  557    H    LEU  72           HN       LEU  72  54.722  -4.417 -11.942
  558    HA   LEU  72           HA       LEU  72  53.166  -5.176  -9.495
  559   1HB   LEU  72           HB2      LEU  72  54.317  -6.705 -11.660
  560   2HB   LEU  72           HB1      LEU  72  54.999  -7.225 -10.120
  561    HG   LEU  72           HG       LEU  72  52.723  -7.491  -9.220
  562   1HD1  LEU  72           HD11     LEU  72  51.746  -5.666 -10.598
  563   2HD1  LEU  72           HD13     LEU  72  51.879  -6.700 -12.019
  564   3HD1  LEU  72           HD12     LEU  72  50.802  -7.152 -10.698
  565   1HD2  LEU  72           HD23     LEU  72  53.871  -9.012 -11.379
  566   2HD2  LEU  72           HD22     LEU  72  52.856  -9.586 -10.056
  567   3HD2  LEU  72           HD21     LEU  72  52.115  -9.012 -11.550
  568    H    GLY  73           HN       GLY  73  56.520  -5.832 -10.421
  569   1HA   GLY  73           HA2      GLY  73  57.736  -5.742  -7.976
  570   2HA   GLY  73           HA1      GLY  73  58.533  -5.137  -9.429
  571    H    ARG  74           HN       ARG  74  56.453  -3.025  -9.772
  572    HA   ARG  74           HA       ARG  74  56.179  -0.769  -9.156
  573   1HB   ARG  74           HB2      ARG  74  56.768  -1.823  -6.371
  574   2HB   ARG  74           HB1      ARG  74  55.987  -0.292  -6.766
  575   1HG   ARG  74           HG2      ARG  74  54.514  -2.217  -8.168
  576   2HG   ARG  74           HG1      ARG  74  54.824  -2.953  -6.593
  577   1HD   ARG  74           HD2      ARG  74  53.765  -1.188  -5.431
  578   2HD   ARG  74           HD1      ARG  74  53.860  -0.101  -6.817
  579    HE   ARG  74           HE       ARG  74  52.261  -2.127  -7.757
  580   1HH1  ARG  74           HH12     ARG  74  51.322  -2.856  -5.109
  581   2HH1  ARG  74           HH11     ARG  74  50.035  -1.738  -4.802
  582   1HH2  ARG  74           HH21     ARG  74  51.010   0.476  -7.286
  583   2HH2  ARG  74           HH22     ARG  74  49.859   0.149  -6.034
   
  No H/Q in entry =         583
  Start of MODEL    2
    1    H    MET   1           HN       MET   1  56.190 -10.185 -10.686
    2    HA   MET   1           HA       MET   1  56.198 -10.604  -7.813
    3   1HB   MET   1           HB2      MET   1  58.011  -9.178  -9.732
    4   2HB   MET   1           HB1      MET   1  58.220  -9.023  -7.987
    5   1HG   MET   1           HG2      MET   1  59.619 -10.852  -8.836
    6   2HG   MET   1           HG1      MET   1  58.347 -11.493  -7.797
    7   1HE   MET   1           HE2      MET   1  59.376 -13.437  -8.764
    8   2HE   MET   1           HE1      MET   1  57.771 -14.136  -8.960
    9   3HE   MET   1           HE3      MET   1  58.943 -14.215 -10.283
   10    H    LEU   2           HN       LEU   2  53.968  -9.376  -7.765
   11    HA   LEU   2           HA       LEU   2  54.081  -6.488  -7.874
   12   1HB   LEU   2           HB2      LEU   2  51.993  -7.996  -7.995
   13   2HB   LEU   2           HB1      LEU   2  52.126  -8.103  -6.240
   14    HG   LEU   2           HG       LEU   2  52.318  -5.463  -6.431
   15   1HD1  LEU   2           HD12     LEU   2  51.358  -6.372  -9.081
   16   2HD1  LEU   2           HD11     LEU   2  50.430  -5.061  -8.352
   17   3HD1  LEU   2           HD13     LEU   2  52.161  -4.868  -8.630
   18   1HD2  LEU   2           HD21     LEU   2  50.494  -7.005  -5.397
   19   2HD2  LEU   2           HD23     LEU   2  50.046  -5.349  -5.810
   20   3HD2  LEU   2           HD22     LEU   2  49.594  -6.677  -6.879
   21    H    GLN   3           HN       GLN   3  55.787  -8.438  -5.942
   22    HA   GLN   3           HA       GLN   3  56.433  -6.494  -3.991
   23   1HB   GLN   3           HB2      GLN   3  55.267  -7.261  -2.021
   24   2HB   GLN   3           HB1      GLN   3  54.054  -6.999  -3.273
   25   1HG   GLN   3           HG2      GLN   3  55.038  -9.673  -3.529
   26   2HG   GLN   3           HG1      GLN   3  54.594  -9.403  -1.844
   27   1HE2  GLN   3           HE22     GLN   3  51.689  -9.810  -4.607
   28   2HE2  GLN   3           HE21     GLN   3  53.328 -10.072  -4.965
   29    H    LYS   4           HN       LYS   4  58.160  -7.952  -5.317
   30    HA   LYS   4           HA       LYS   4  58.778 -10.420  -3.802
   31   1HB   LYS   4           HB2      LYS   4  58.895 -10.005  -6.439
   32   2HB   LYS   4           HB1      LYS   4  60.518  -9.451  -6.025
   33   1HG   LYS   4           HG2      LYS   4  59.462 -12.072  -4.973
   34   2HG   LYS   4           HG1      LYS   4  60.202 -11.966  -6.571
   35   1HD   LYS   4           HD2      LYS   4  62.130 -12.344  -5.404
   36   2HD   LYS   4           HD1      LYS   4  62.039 -10.608  -5.106
   37   1HE   LYS   4           HE2      LYS   4  62.229 -11.337  -2.926
   38   2HE   LYS   4           HE1      LYS   4  60.475 -11.421  -3.092
   39   1HZ   LYS   4           HZ2      LYS   4  61.984 -13.755  -3.961
   40   2HZ   LYS   4           HZ1      LYS   4  61.939 -13.465  -2.287
   41   3HZ   LYS   4           HZ3      LYS   4  60.493 -13.662  -3.152
   42    H    LYS   5           HN       LYS   5  60.601  -7.530  -4.917
   43    HA   LYS   5           HA       LYS   5  62.708  -8.036  -3.010
   44   1HB   LYS   5           HB2      LYS   5  63.822  -6.510  -4.266
   45   2HB   LYS   5           HB1      LYS   5  62.417  -6.537  -5.325
   46   1HG   LYS   5           HG2      LYS   5  61.469  -4.618  -4.295
   47   2HG   LYS   5           HG1      LYS   5  62.587  -4.702  -2.945
   48   1HD   LYS   5           HD2      LYS   5  63.506  -4.278  -5.790
   49   2HD   LYS   5           HD1      LYS   5  63.151  -2.944  -4.691
   50   1HE   LYS   5           HE2      LYS   5  64.860  -3.653  -3.152
   51   2HE   LYS   5           HE1      LYS   5  65.096  -5.168  -4.024
   52   1HZ   LYS   5           HZ2      LYS   5  65.403  -3.105  -5.859
   53   2HZ   LYS   5           HZ1      LYS   5  66.303  -2.667  -4.485
   54   3HZ   LYS   5           HZ3      LYS   5  66.602  -4.148  -5.256
   55    H    ILE   6           HN       ILE   6  59.631  -6.644  -2.841
   56    HA   ILE   6           HA       ILE   6  60.315  -4.931  -0.526
   57    HB   ILE   6           HB       ILE   6  57.606  -5.355  -1.790
   58   1HG1  ILE   6           HG12     ILE   6  59.572  -4.700  -3.374
   59   2HG1  ILE   6           HG11     ILE   6  58.104  -3.711  -3.409
   60   1HG2  ILE   6           HG21     ILE   6  58.860  -3.388   0.093
   61   2HG2  ILE   6           HG23     ILE   6  57.589  -2.828  -0.992
   62   3HG2  ILE   6           HG22     ILE   6  57.259  -4.127   0.154
   63   1HD1  ILE   6           HD12     ILE   6  60.567  -3.071  -1.760
   64   2HD1  ILE   6           HD11     ILE   6  60.189  -2.341  -3.320
   65   3HD1  ILE   6           HD13     ILE   6  59.132  -2.060  -1.937
   66    H    GLU   7           HN       GLU   7  58.576  -7.908  -1.325
   67    HA   GLU   7           HA       GLU   7  57.458  -8.192   1.356
   68   1HB   GLU   7           HB2      GLU   7  56.661 -10.321   0.623
   69   2HB   GLU   7           HB1      GLU   7  56.535  -9.268  -0.785
   70   1HG   GLU   7           HG2      GLU   7  57.628 -11.020  -1.792
   71   2HG   GLU   7           HG1      GLU   7  59.043 -10.177  -1.159
   72    H    GLU   8           HN       GLU   8  60.446  -8.867  -0.225
   73    HA   GLU   8           HA       GLU   8  61.375 -10.912   1.600
   74   1HB   GLU   8           HB2      GLU   8  63.530 -10.599   0.539
   75   2HB   GLU   8           HB1      GLU   8  62.293 -10.509  -0.716
   76   1HG   GLU   8           HG2      GLU   8  62.351  -8.045  -0.627
   77   2HG   GLU   8           HG1      GLU   8  63.563  -8.127   0.665
   78    H    ILE   9           HN       ILE   9  61.929  -7.385   1.337
   79    HA   ILE   9           HA       ILE   9  63.549  -7.312   3.738
   80    HB   ILE   9           HB       ILE   9  63.472  -5.618   1.749
   81   1HG1  ILE   9           HG12     ILE   9  64.943  -5.314   3.646
   82   2HG1  ILE   9           HG11     ILE   9  64.142  -3.774   3.332
   83   1HG2  ILE   9           HG22     ILE   9  61.258  -4.568   3.537
   84   2HG2  ILE   9           HG21     ILE   9  62.012  -3.665   2.224
   85   3HG2  ILE   9           HG23     ILE   9  61.077  -5.118   1.872
   86   1HD1  ILE   9           HD13     ILE   9  62.361  -4.686   5.043
   87   2HD1  ILE   9           HD12     ILE   9  63.688  -5.723   5.568
   88   3HD1  ILE   9           HD11     ILE   9  63.859  -3.968   5.635
   89    H    ALA  10           HN       ALA  10  60.163  -6.803   2.947
   90    HA   ALA  10           HA       ALA  10  59.302  -5.781   5.467
   91   1HB   ALA  10           HB3      ALA  10  58.097  -6.636   3.052
   92   2HB   ALA  10           HB2      ALA  10  57.355  -7.578   4.343
   93   3HB   ALA  10           HB1      ALA  10  57.317  -5.817   4.403
   94    H    ALA  11           HN       ALA  11  59.619  -9.079   4.203
   95    HA   ALA  11           HA       ALA  11  58.732 -10.345   6.650
   96   1HB   ALA  11           HB1      ALA  11  59.497 -11.162   4.008
   97   2HB   ALA  11           HB3      ALA  11  60.416 -12.104   5.181
   98   3HB   ALA  11           HB2      ALA  11  58.653 -12.096   5.242
   99    H    LYS  12           HN       LYS  12  61.835  -9.201   5.408
  100    HA   LYS  12           HA       LYS  12  63.240 -10.627   7.589
  101   1HB   LYS  12           HB2      LYS  12  65.240 -10.096   6.538
  102   2HB   LYS  12           HB1      LYS  12  64.146 -10.121   5.160
  103   1HG   LYS  12           HG2      LYS  12  64.881  -8.040   4.707
  104   2HG   LYS  12           HG1      LYS  12  63.949  -7.507   6.106
  105   1HD   LYS  12           HD2      LYS  12  66.126  -6.699   6.544
  106   2HD   LYS  12           HD1      LYS  12  66.047  -8.188   7.484
  107   1HE   LYS  12           HE2      LYS  12  66.920  -8.644   4.729
  108   2HE   LYS  12           HE1      LYS  12  68.000  -7.570   5.620
  109   1HZ   LYS  12           HZ3      LYS  12  67.323  -9.601   7.363
  110   2HZ   LYS  12           HZ2      LYS  12  67.654 -10.367   5.882
  111   3HZ   LYS  12           HZ1      LYS  12  68.819  -9.361   6.601
  112    H    TYR  13           HN       TYR  13  61.296  -8.859   8.523
  113    HA   TYR  13           HA       TYR  13  62.890  -6.560   9.548
  114   1HB   TYR  13           HB2      TYR  13  59.984  -7.047   9.093
  115   2HB   TYR  13           HB1      TYR  13  60.429  -5.983  10.423
  116    HD1  TYR  13           HD1      TYR  13  62.911  -4.720   9.343
  117    HD2  TYR  13           HD2      TYR  13  59.155  -5.590   7.450
  118    HE1  TYR  13           HE1      TYR  13  63.303  -2.888   7.722
  119    HE2  TYR  13           HE2      TYR  13  59.551  -3.761   5.832
  120    HH   TYR  13           HH       TYR  13  61.023  -1.495   5.940
  121    H    LYS  14           HN       LYS  14  63.638  -6.688  11.592
  122    HA   LYS  14           HA       LYS  14  62.775  -8.902  13.335
  123   1HB   LYS  14           HB2      LYS  14  64.593  -8.208  14.781
  124   2HB   LYS  14           HB1      LYS  14  65.186  -8.160  13.123
  125   1HG   LYS  14           HG2      LYS  14  65.645  -5.971  13.312
  126   2HG   LYS  14           HG1      LYS  14  63.968  -5.636  13.741
  127   1HD   LYS  14           HD2      LYS  14  64.687  -5.120  15.813
  128   2HD   LYS  14           HD1      LYS  14  65.079  -6.826  16.029
  129   1HE   LYS  14           HE2      LYS  14  67.318  -6.416  15.031
  130   2HE   LYS  14           HE1      LYS  14  66.926  -4.701  14.902
  131   1HZ   LYS  14           HZ2      LYS  14  66.571  -5.971  17.508
  132   2HZ   LYS  14           HZ1      LYS  14  68.166  -5.699  16.989
  133   3HZ   LYS  14           HZ3      LYS  14  67.087  -4.398  17.128
  134    H    HIS  15           HN       HIS  15  60.548  -7.523  13.097
  135    HA   HIS  15           HA       HIS  15  60.060  -6.419  15.713
  136   1HB   HIS  15           HB2      HIS  15  61.028  -4.657  13.671
  137   2HB   HIS  15           HB1      HIS  15  59.352  -4.227  14.013
  138    HD1  HIS  15           HD1      HIS  15  62.773  -4.372  15.527
  139    HD2  HIS  15           HD2      HIS  15  58.913  -3.312  16.706
  140    HE1  HIS  15           HE1      HIS  15  63.003  -3.180  17.751
  141    H    SER  16           HN       SER  16  57.898  -6.670  16.119
  142    HA   SER  16           HA       SER  16  56.208  -7.755  13.987
  143   1HB   SER  16           HB2      SER  16  56.208  -8.598  16.375
  144   2HB   SER  16           HB1      SER  16  55.412  -7.096  16.834
  145    HG   SER  16           HG       SER  16  53.755  -7.639  15.335
  146    H    VAL  17           HN       VAL  17  56.537  -5.467  12.927
  147    HA   VAL  17           HA       VAL  17  54.030  -4.165  12.838
  148    HB   VAL  17           HB       VAL  17  54.902  -3.424  15.144
  149   1HG1  VAL  17           HG13     VAL  17  57.242  -2.998  14.140
  150   2HG1  VAL  17           HG12     VAL  17  56.554  -1.507  13.498
  151   3HG1  VAL  17           HG11     VAL  17  56.603  -1.776  15.239
  152   1HG2  VAL  17           HG22     VAL  17  53.448  -2.105  13.108
  153   2HG2  VAL  17           HG21     VAL  17  53.380  -1.796  14.843
  154   3HG2  VAL  17           HG23     VAL  17  54.502  -0.889  13.829
  155    H    VAL  18           HN       VAL  18  57.493  -4.037  12.286
  156    HA   VAL  18           HA       VAL  18  57.638  -1.851  10.487
  157    HB   VAL  18           HB       VAL  18  59.232  -4.409  10.219
  158   1HG1  VAL  18           HG13     VAL  18  59.811  -1.488   9.722
  159   2HG1  VAL  18           HG12     VAL  18  61.022  -2.768   9.633
  160   3HG1  VAL  18           HG11     VAL  18  59.663  -2.757   8.507
  161   1HG2  VAL  18           HG23     VAL  18  58.928  -2.962  12.586
  162   2HG2  VAL  18           HG22     VAL  18  60.250  -4.056  12.187
  163   3HG2  VAL  18           HG21     VAL  18  60.417  -2.331  11.882
  164    H    LYS  19           HN       LYS  19  56.247  -5.000  10.079
  165    HA   LYS  19           HA       LYS  19  56.474  -5.367   7.300
  166   1HB   LYS  19           HB2      LYS  19  54.476  -6.182   9.373
  167   2HB   LYS  19           HB1      LYS  19  54.048  -6.400   7.675
  168   1HG   LYS  19           HG2      LYS  19  55.213  -8.334   7.771
  169   2HG   LYS  19           HG1      LYS  19  56.663  -7.331   7.807
  170   1HD   LYS  19           HD2      LYS  19  56.931  -8.651   9.722
  171   2HD   LYS  19           HD1      LYS  19  56.192  -7.189  10.377
  172   1HE   LYS  19           HE2      LYS  19  54.963  -9.007  11.318
  173   2HE   LYS  19           HE1      LYS  19  53.937  -8.348  10.044
  174   1HZ   LYS  19           HZ1      LYS  19  55.823 -10.541   9.473
  175   2HZ   LYS  19           HZ3      LYS  19  54.302 -10.870  10.148
  176   3HZ   LYS  19           HZ2      LYS  19  54.411 -10.101   8.637
  177    H    LYS  20           HN       LYS  20  53.769  -3.783   9.057
  178    HA   LYS  20           HA       LYS  20  52.411  -2.871   6.743
  179   1HB   LYS  20           HB2      LYS  20  51.010  -1.814   8.209
  180   2HB   LYS  20           HB1      LYS  20  51.893  -2.749   9.410
  181   1HG   LYS  20           HG2      LYS  20  53.394  -0.861   9.828
  182   2HG   LYS  20           HG1      LYS  20  52.610   0.080   8.553
  183   1HD   LYS  20           HD2      LYS  20  51.525   0.872  10.468
  184   2HD   LYS  20           HD1      LYS  20  50.424  -0.399   9.933
  185   1HE   LYS  20           HE2      LYS  20  50.762  -1.579  11.820
  186   2HE   LYS  20           HE1      LYS  20  52.511  -1.502  11.611
  187   1HZ   LYS  20           HZ3      LYS  20  51.184   0.939  12.483
  188   2HZ   LYS  20           HZ2      LYS  20  51.259  -0.328  13.613
  189   3HZ   LYS  20           HZ1      LYS  20  52.688   0.298  12.939
  190    H    CYS  21           HN       CYS  21  54.867  -1.247   8.731
  191    HA   CYS  21           HA       CYS  21  54.996   1.237   7.495
  192   1HB   CYS  21           HB2      CYS  21  57.219  -0.519   8.559
  193   2HB   CYS  21           HB1      CYS  21  57.470   1.150   8.058
  194    H    CYS  22           HN       CYS  22  56.815  -1.670   6.485
  195    HA   CYS  22           HA       CYS  22  57.848  -0.421   4.094
  196   1HB   CYS  22           HB2      CYS  22  59.097  -2.265   4.860
  197   2HB   CYS  22           HB1      CYS  22  57.663  -3.254   5.116
  198    H    TYR  23           HN       TYR  23  54.891  -2.035   4.956
  199    HA   TYR  23           HA       TYR  23  53.995  -2.807   2.377
  200   1HB   TYR  23           HB2      TYR  23  52.923  -2.744   4.965
  201   2HB   TYR  23           HB1      TYR  23  51.830  -1.774   3.992
  202    HD1  TYR  23           HD2      TYR  23  51.342  -2.787   1.561
  203    HD2  TYR  23           HD1      TYR  23  52.578  -4.995   5.019
  204    HE1  TYR  23           HE2      TYR  23  50.398  -4.859   0.570
  205    HE2  TYR  23           HE1      TYR  23  51.648  -7.034   4.041
  206    HH   TYR  23           HH       TYR  23  51.066  -7.584   1.054
  207    H    ASP  24           HN       ASP  24  53.247   0.177   4.208
  208    HA   ASP  24           HA       ASP  24  52.028   1.517   1.987
  209   1HB   ASP  24           HB2      ASP  24  53.426   2.849   4.321
  210   2HB   ASP  24           HB1      ASP  24  52.095   3.488   3.355
  211    H    GLY  25           HN       GLY  25  55.335   1.550   3.321
  212   1HA   GLY  25           HA2      GLY  25  56.564   3.498   1.790
  213   2HA   GLY  25           HA1      GLY  25  57.353   1.959   2.151
  214    H    ALA  26           HN       ALA  26  56.113   0.101   0.732
  215    HA   ALA  26           HA       ALA  26  56.868   0.630  -1.993
  216   1HB   ALA  26           HB1      ALA  26  56.199  -1.633  -0.478
  217   2HB   ALA  26           HB3      ALA  26  54.954  -1.542  -1.723
  218   3HB   ALA  26           HB2      ALA  26  56.656  -1.609  -2.181
  219    H    CYS  27           HN       CYS  27  53.807   0.777  -0.235
  220    HA   CYS  27           HA       CYS  27  52.329   1.356  -2.734
  221   1HB   CYS  27           HB2      CYS  27  51.241   1.422   0.087
  222   2HB   CYS  27           HB1      CYS  27  50.346   1.199  -1.417
  223    HG   CYS  27           HG       CYS  27  51.535  -1.161  -1.663
  224    H    VAL  28           HN       VAL  28  54.409   3.172  -1.323
  225    HA   VAL  28           HA       VAL  28  53.580   5.427  -0.094
  226    HB   VAL  28           HB       VAL  28  55.798   5.483  -0.877
  227   1HG1  VAL  28           HG13     VAL  28  54.562   4.466  -3.341
  228   2HG1  VAL  28           HG12     VAL  28  55.861   5.623  -3.630
  229   3HG1  VAL  28           HG11     VAL  28  56.171   4.168  -2.684
  230   1HG2  VAL  28           HG23     VAL  28  54.546   7.695  -1.098
  231   2HG2  VAL  28           HG22     VAL  28  56.013   7.559  -2.068
  232   3HG2  VAL  28           HG21     VAL  28  54.434   7.361  -2.826
  233    H    ASN  29           HN       ASN  29  52.521   7.419  -0.674
  234    HA   ASN  29           HA       ASN  29  50.339   7.063  -2.594
  235   1HB   ASN  29           HB2      ASN  29  49.891   8.196  -0.477
  236   2HB   ASN  29           HB1      ASN  29  51.118   9.410  -0.838
  237   1HD2  ASN  29           HD22     ASN  29  47.425  10.082  -2.124
  238   2HD2  ASN  29           HD21     ASN  29  47.835   9.022  -0.862
  239    H    ASN  30           HN       ASN  30  52.956   9.489  -2.216
  240    HA   ASN  30           HA       ASN  30  52.535  10.326  -5.020
  241   1HB   ASN  30           HB2      ASN  30  53.224  11.731  -2.775
  242   2HB   ASN  30           HB1      ASN  30  54.802  11.475  -3.515
  243   1HD2  ASN  30           HD22     ASN  30  54.196  14.162  -5.702
  244   2HD2  ASN  30           HD21     ASN  30  55.266  13.384  -4.640
  245    H    ASP  31           HN       ASP  31  55.365  11.062  -5.375
  246    HA   ASP  31           HA       ASP  31  56.413   8.328  -5.977
  247   1HB   ASP  31           HB2      ASP  31  55.949  10.170  -7.810
  248   2HB   ASP  31           HB1      ASP  31  57.490  10.823  -7.253
  249    H    GLU  32           HN       GLU  32  57.652  11.604  -5.229
  250    HA   GLU  32           HA       GLU  32  60.129  10.466  -4.151
  251   1HB   GLU  32           HB2      GLU  32  59.058  13.205  -4.645
  252   2HB   GLU  32           HB1      GLU  32  60.300  13.024  -3.402
  253   1HG   GLU  32           HG2      GLU  32  61.483  13.431  -5.439
  254   2HG   GLU  32           HG1      GLU  32  61.638  11.699  -5.136
  255    H    THR  33           HN       THR  33  58.767  13.116  -2.354
  256    HA   THR  33           HA       THR  33  59.142  11.969   0.175
  257    HB   THR  33           HB       THR  33  57.178  13.626   0.795
  258    HG1  THR  33           HG1      THR  33  57.896  14.754  -1.659
  259   1HG2  THR  33           HG23     THR  33  59.972  13.879   0.323
  260   2HG2  THR  33           HG22     THR  33  59.200  15.345  -0.282
  261   3HG2  THR  33           HG21     THR  33  58.963  14.851   1.394
  262    H    CYS  34           HN       CYS  34  58.396   9.794   0.069
  263    HA   CYS  34           HA       CYS  34  55.748   9.013  -0.613
  264   1HB   CYS  34           HB2      CYS  34  57.562   7.711   1.434
  265   2HB   CYS  34           HB1      CYS  34  56.255   6.934   0.545
  266    H    GLU  35           HN       GLU  35  56.609   8.403   2.739
  267    HA   GLU  35           HA       GLU  35  54.040   9.151   3.714
  268   1HB   GLU  35           HB2      GLU  35  56.669   8.982   5.208
  269   2HB   GLU  35           HB1      GLU  35  55.082   9.038   5.965
  270   1HG   GLU  35           HG2      GLU  35  55.485   6.983   3.858
  271   2HG   GLU  35           HG1      GLU  35  56.296   6.718   5.402
  272    H    GLN  36           HN       GLN  36  57.069  10.968   3.391
  273    HA   GLN  36           HA       GLN  36  56.429  13.272   4.872
  274   1HB   GLN  36           HB2      GLN  36  58.198  12.632   2.636
  275   2HB   GLN  36           HB1      GLN  36  57.541  14.263   2.499
  276   1HG   GLN  36           HG2      GLN  36  58.526  14.980   4.471
  277   2HG   GLN  36           HG1      GLN  36  58.573  13.357   5.160
  278   1HE2  GLN  36           HE22     GLN  36  61.933  12.983   4.196
  279   2HE2  GLN  36           HE21     GLN  36  60.719  12.698   5.349
  280    H    ARG  37           HN       ARG  37  55.408  12.248   1.642
  281    HA   ARG  37           HA       ARG  37  53.767  14.597   1.160
  282   1HB   ARG  37           HB2      ARG  37  54.565  13.179  -0.708
  283   2HB   ARG  37           HB1      ARG  37  53.628  11.823  -0.076
  284   1HG   ARG  37           HG2      ARG  37  52.112  12.662  -1.612
  285   2HG   ARG  37           HG1      ARG  37  51.646  13.595  -0.190
  286   1HD   ARG  37           HD2      ARG  37  53.818  14.696  -1.923
  287   2HD   ARG  37           HD1      ARG  37  52.161  14.788  -2.522
  288    HE   ARG  37           HE       ARG  37  51.791  15.826  -0.085
  289   1HH1  ARG  37           HH12     ARG  37  54.783  16.158   0.207
  290   2HH1  ARG  37           HH11     ARG  37  55.008  17.784  -0.347
  291   1HH2  ARG  37           HH21     ARG  37  51.905  17.972  -1.884
  292   2HH2  ARG  37           HH22     ARG  37  53.380  18.809  -1.533
  293    H    ALA  38           HN       ALA  38  53.311  11.363   2.541
  294    HA   ALA  38           HA       ALA  38  50.557  11.158   2.802
  295   1HB   ALA  38           HB3      ALA  38  52.254   9.559   3.782
  296   2HB   ALA  38           HB2      ALA  38  52.489  10.705   5.101
  297   3HB   ALA  38           HB1      ALA  38  50.922   9.933   4.872
  298    H    ALA  39           HN       ALA  39  52.610  12.698   5.244
  299    HA   ALA  39           HA       ALA  39  51.213  15.155   5.401
  300   1HB   ALA  39           HB1      ALA  39  50.187  12.995   7.269
  301   2HB   ALA  39           HB3      ALA  39  49.951  14.717   7.570
  302   3HB   ALA  39           HB2      ALA  39  49.245  13.968   6.138
  303    H    ARG  40           HN       ARG  40  52.613  12.577   7.330
  304    HA   ARG  40           HA       ARG  40  55.013  13.928   7.996
  305   1HB   ARG  40           HB2      ARG  40  52.712  14.680   9.629
  306   2HB   ARG  40           HB1      ARG  40  54.008  13.973  10.593
  307   1HG   ARG  40           HG2      ARG  40  55.522  15.566   9.101
  308   2HG   ARG  40           HG1      ARG  40  54.018  16.472   8.950
  309   1HD   ARG  40           HD2      ARG  40  53.821  16.432  11.457
  310   2HD   ARG  40           HD1      ARG  40  55.428  15.707  11.521
  311    HE   ARG  40           HE       ARG  40  56.339  17.794  10.618
  312   1HH1  ARG  40           HH12     ARG  40  53.471  18.425   9.454
  313   2HH1  ARG  40           HH11     ARG  40  53.112  19.854  10.365
  314   1HH2  ARG  40           HH21     ARG  40  55.678  19.364  12.645
  315   2HH2  ARG  40           HH22     ARG  40  54.363  20.386  12.172
  316    H    ILE  41           HN       ILE  41  56.184  12.035   8.100
  317    HA   ILE  41           HA       ILE  41  55.102   9.520   8.756
  318    HB   ILE  41           HB       ILE  41  57.380   9.852   7.730
  319   1HG1  ILE  41           HG12     ILE  41  58.361   7.926   8.995
  320   2HG1  ILE  41           HG11     ILE  41  57.089   8.123  10.198
  321   1HG2  ILE  41           HG21     ILE  41  57.939  11.560   9.667
  322   2HG2  ILE  41           HG23     ILE  41  58.442  10.102  10.524
  323   3HG2  ILE  41           HG22     ILE  41  59.209  10.536   8.997
  324   1HD1  ILE  41           HD12     ILE  41  56.335   7.905   7.301
  325   2HD1  ILE  41           HD11     ILE  41  56.728   6.441   8.201
  326   3HD1  ILE  41           HD13     ILE  41  55.398   7.473   8.732
  327    H    SER  42           HN       SER  42  53.777   9.578  10.493
  328    HA   SER  42           HA       SER  42  55.220   9.716  13.047
  329   1HB   SER  42           HB2      SER  42  53.674  11.120  14.083
  330   2HB   SER  42           HB1      SER  42  53.838  11.846  12.481
  331    HG   SER  42           HG       SER  42  51.885  11.147  11.959
  332    H    LEU  43           HN       LEU  43  54.779   7.404  11.831
  333    HA   LEU  43           HA       LEU  43  52.469   6.347  13.343
  334   1HB   LEU  43           HB2      LEU  43  53.612   5.616  10.677
  335   2HB   LEU  43           HB1      LEU  43  52.924   4.319  11.655
  336    HG   LEU  43           HG       LEU  43  51.370   6.862  11.300
  337   1HD1  LEU  43           HD11     LEU  43  52.295   5.555   9.081
  338   2HD1  LEU  43           HD13     LEU  43  50.788   4.690   9.383
  339   3HD1  LEU  43           HD12     LEU  43  50.769   6.437   9.144
  340   1HD2  LEU  43           HD21     LEU  43  50.934   4.550  12.697
  341   2HD2  LEU  43           HD23     LEU  43  49.647   5.605  12.113
  342   3HD2  LEU  43           HD22     LEU  43  50.117   4.185  11.178
  343    H    GLY  44           HN       GLY  44  55.814   6.533  13.170
  344   1HA   GLY  44           HA2      GLY  44  56.497   5.227  15.456
  345   2HA   GLY  44           HA1      GLY  44  56.323   3.870  14.343
  346    HA   PRO  45           HA       PRO  45  60.624   5.870  13.871
  347   1HB   PRO  45           HB2      PRO  45  62.038   4.071  15.334
  348   2HB   PRO  45           HB1      PRO  45  61.317   5.523  16.038
  349   1HG   PRO  45           HG2      PRO  45  60.450   2.702  16.264
  350   2HG   PRO  45           HG1      PRO  45  60.284   4.033  17.417
  351   1HD   PRO  45           HD2      PRO  45  58.267   3.048  15.771
  352   2HD   PRO  45           HD1      PRO  45  58.233   4.592  16.622
  353    H    ARG  46           HN       ARG  46  60.197   2.334  14.343
  354    HA   ARG  46           HA       ARG  46  61.935   1.467  12.321
  355   1HB   ARG  46           HB2      ARG  46  60.926  -0.622  12.527
  356   2HB   ARG  46           HB1      ARG  46  60.434   0.131  14.039
  357   1HG   ARG  46           HG2      ARG  46  58.736   0.153  11.525
  358   2HG   ARG  46           HG1      ARG  46  58.567  -1.040  12.809
  359   1HD   ARG  46           HD2      ARG  46  58.540   1.827  13.625
  360   2HD   ARG  46           HD1      ARG  46  57.125   1.224  12.768
  361    HE   ARG  46           HE       ARG  46  56.556   0.042  14.716
  362   1HH1  ARG  46           HH12     ARG  46  59.179  -1.529  14.648
  363   2HH1  ARG  46           HH11     ARG  46  59.826  -1.158  16.211
  364   1HH2  ARG  46           HH21     ARG  46  57.697   1.527  16.747
  365   2HH2  ARG  46           HH22     ARG  46  58.987   0.574  17.400
  366    H    CYS  47           HN       CYS  47  58.834   2.987  12.088
  367    HA   CYS  47           HA       CYS  47  58.174   2.245   9.384
  368   1HB   CYS  47           HB2      CYS  47  57.081   3.888  11.458
  369   2HB   CYS  47           HB1      CYS  47  57.174   4.854   9.983
  370    H    ILE  48           HN       ILE  48  59.576   5.267  10.682
  371    HA   ILE  48           HA       ILE  48  59.939   6.762   8.446
  372    HB   ILE  48           HB       ILE  48  62.433   6.343  10.054
  373   1HG1  ILE  48           HG12     ILE  48  60.743   6.169  11.785
  374   2HG1  ILE  48           HG11     ILE  48  61.415   7.796  11.848
  375   1HG2  ILE  48           HG22     ILE  48  60.896   8.666   8.887
  376   2HG2  ILE  48           HG21     ILE  48  62.232   8.897  10.014
  377   3HG2  ILE  48           HG23     ILE  48  62.514   8.107   8.463
  378   1HD1  ILE  48           HD12     ILE  48  59.496   8.542  10.375
  379   2HD1  ILE  48           HD11     ILE  48  58.784   6.947  10.616
  380   3HD1  ILE  48           HD13     ILE  48  59.027   8.020  11.994
  381    H    LYS  49           HN       LYS  49  62.508   4.422   9.355
  382    HA   LYS  49           HA       LYS  49  63.566   4.507   6.636
  383   1HB   LYS  49           HB2      LYS  49  64.666   4.023   9.104
  384   2HB   LYS  49           HB1      LYS  49  64.581   2.402   8.413
  385   1HG   LYS  49           HG2      LYS  49  66.515   2.952   7.362
  386   2HG   LYS  49           HG1      LYS  49  65.486   3.893   6.282
  387   1HD   LYS  49           HD2      LYS  49  66.975   5.536   6.958
  388   2HD   LYS  49           HD1      LYS  49  65.725   5.722   8.189
  389   1HE   LYS  49           HE2      LYS  49  66.979   4.383   9.763
  390   2HE   LYS  49           HE1      LYS  49  68.160   3.950   8.525
  391   1HZ   LYS  49           HZ1      LYS  49  68.731   6.313   8.341
  392   2HZ   LYS  49           HZ3      LYS  49  67.656   6.671   9.602
  393   3HZ   LYS  49           HZ2      LYS  49  69.021   5.706   9.901
  394    H    ALA  50           HN       ALA  50  61.343   2.399   8.349
  395    HA   ALA  50           HA       ALA  50  61.837   0.115   6.654
  396   1HB   ALA  50           HB1      ALA  50  59.396   0.860   8.299
  397   2HB   ALA  50           HB3      ALA  50  59.651  -0.706   7.527
  398   3HB   ALA  50           HB2      ALA  50  60.723  -0.177   8.824
  399    H    PHE  51           HN       PHE  51  59.070   2.328   6.863
  400    HA   PHE  51           HA       PHE  51  58.044   1.659   4.333
  401   1HB   PHE  51           HB2      PHE  51  56.464   3.266   4.710
  402   2HB   PHE  51           HB1      PHE  51  57.078   3.154   6.354
  403    HD1  PHE  51           HD2      PHE  51  57.562   5.032   3.134
  404    HD2  PHE  51           HD1      PHE  51  57.963   5.063   7.394
  405    HE1  PHE  51           HE2      PHE  51  58.231   7.420   3.070
  406    HE2  PHE  51           HE1      PHE  51  58.630   7.432   7.323
  407    HZ   PHE  51           HZ       PHE  51  58.754   8.617   5.176
  408    H    THR  52           HN       THR  52  60.124   4.397   5.321
  409    HA   THR  52           HA       THR  52  60.330   5.616   2.815
  410    HB   THR  52           HB       THR  52  62.424   5.306   4.979
  411    HG1  THR  52           HG1      THR  52  61.741   7.664   5.039
  412   1HG2  THR  52           HG23     THR  52  62.422   7.078   2.522
  413   2HG2  THR  52           HG22     THR  52  63.563   7.212   3.859
  414   3HG2  THR  52           HG21     THR  52  63.545   5.761   2.857
  415    H    GLU  53           HN       GLU  53  62.207   2.917   4.104
  416    HA   GLU  53           HA       GLU  53  63.985   2.580   1.915
  417   1HB   GLU  53           HB2      GLU  53  64.459   1.582   4.057
  418   2HB   GLU  53           HB1      GLU  53  62.975   0.642   3.974
  419   1HG   GLU  53           HG2      GLU  53  65.018  -0.680   3.363
  420   2HG   GLU  53           HG1      GLU  53  63.804  -0.627   2.085
  421    H    CYS  54           HN       CYS  54  60.865   0.962   2.619
  422    HA   CYS  54           HA       CYS  54  61.026  -0.646   0.207
  423   1HB   CYS  54           HB2      CYS  54  58.907  -0.114   2.265
  424   2HB   CYS  54           HB1      CYS  54  58.472  -0.908   0.749
  425    H    CYS  55           HN       CYS  55  59.921   2.549   0.958
  426    HA   CYS  55           HA       CYS  55  58.306   2.743  -1.490
  427   1HB   CYS  55           HB2      CYS  55  57.432   4.627  -0.556
  428   2HB   CYS  55           HB1      CYS  55  58.206   4.068   0.919
  429    H    VAL  56           HN       VAL  56  61.555   3.346  -0.430
  430    HA   VAL  56           HA       VAL  56  62.243   5.030  -2.732
  431    HB   VAL  56           HB       VAL  56  64.029   3.535  -0.774
  432   1HG1  VAL  56           HG11     VAL  56  64.508   5.356  -3.073
  433   2HG1  VAL  56           HG13     VAL  56  65.506   5.609  -1.642
  434   3HG1  VAL  56           HG12     VAL  56  65.503   4.041  -2.449
  435   1HG2  VAL  56           HG21     VAL  56  62.335   5.702  -0.270
  436   2HG2  VAL  56           HG23     VAL  56  63.709   5.199   0.716
  437   3HG2  VAL  56           HG22     VAL  56  63.919   6.438  -0.521
  438    H    VAL  57           HN       VAL  57  62.800   1.683  -1.687
  439    HA   VAL  57           HA       VAL  57  64.156   0.894  -4.092
  440    HB   VAL  57           HB       VAL  57  63.605  -1.402  -3.356
  441   1HG1  VAL  57           HG12     VAL  57  64.492   0.554  -1.227
  442   2HG1  VAL  57           HG11     VAL  57  64.542  -1.191  -0.981
  443   3HG1  VAL  57           HG13     VAL  57  65.509  -0.452  -2.258
  444   1HG2  VAL  57           HG21     VAL  57  61.877   0.048  -1.332
  445   2HG2  VAL  57           HG23     VAL  57  61.323  -1.048  -2.597
  446   3HG2  VAL  57           HG22     VAL  57  62.272  -1.669  -1.247
  447    H    ALA  58           HN       ALA  58  60.846   0.877  -2.897
  448    HA   ALA  58           HA       ALA  58  59.615  -0.219  -5.236
  449   1HB   ALA  58           HB1      ALA  58  58.561   1.755  -3.181
  450   2HB   ALA  58           HB3      ALA  58  57.564   0.911  -4.367
  451   3HB   ALA  58           HB2      ALA  58  58.393   0.001  -3.104
  452    H    SER  59           HN       SER  59  60.887   2.844  -4.297
  453    HA   SER  59           HA       SER  59  59.639   4.561  -6.171
  454   1HB   SER  59           HB2      SER  59  61.250   5.015  -4.170
  455   2HB   SER  59           HB1      SER  59  62.497   4.943  -5.408
  456    HG   SER  59           HG       SER  59  60.952   6.446  -6.563
  457    H    GLN  60           HN       GLN  60  62.859   3.060  -6.335
  458    HA   GLN  60           HA       GLN  60  63.390   3.718  -9.055
  459   1HB   GLN  60           HB2      GLN  60  64.587   2.149  -6.942
  460   2HB   GLN  60           HB1      GLN  60  64.673   1.282  -8.477
  461   1HG   GLN  60           HG2      GLN  60  65.957   2.942  -9.492
  462   2HG   GLN  60           HG1      GLN  60  65.348   4.199  -8.411
  463   1HE2  GLN  60           HE22     GLN  60  67.536   3.009  -5.681
  464   2HE2  GLN  60           HE21     GLN  60  65.889   3.356  -5.895
  465    H    LEU  61           HN       LEU  61  61.688   1.070  -7.535
  466    HA   LEU  61           HA       LEU  61  61.530  -0.624  -9.856
  467   1HB   LEU  61           HB2      LEU  61  59.943  -0.387  -7.298
  468   2HB   LEU  61           HB1      LEU  61  59.563  -1.595  -8.514
  469    HG   LEU  61           HG       LEU  61  62.064  -1.314  -6.887
  470   1HD1  LEU  61           HD13     LEU  61  60.194  -2.622  -5.935
  471   2HD1  LEU  61           HD12     LEU  61  60.165  -3.624  -7.385
  472   3HD1  LEU  61           HD11     LEU  61  61.567  -3.663  -6.316
  473   1HD2  LEU  61           HD23     LEU  61  61.619  -2.718  -9.509
  474   2HD2  LEU  61           HD22     LEU  61  63.005  -1.757  -8.993
  475   3HD2  LEU  61           HD21     LEU  61  62.763  -3.377  -8.339
  476    H    ARG  62           HN       ARG  62  59.757   2.115  -8.618
  477    HA   ARG  62           HA       ARG  62  57.734   1.801 -10.751
  478   1HB   ARG  62           HB2      ARG  62  56.402   3.419  -9.551
  479   2HB   ARG  62           HB1      ARG  62  56.991   2.230  -8.389
  480   1HG   ARG  62           HG2      ARG  62  58.650   3.705  -7.557
  481   2HG   ARG  62           HG1      ARG  62  58.489   4.793  -8.931
  482   1HD   ARG  62           HD2      ARG  62  57.338   5.867  -7.139
  483   2HD   ARG  62           HD1      ARG  62  56.080   5.181  -8.165
  484    HE   ARG  62           HE       ARG  62  56.995   3.895  -5.616
  485   1HH1  ARG  62           HH21     ARG  62  54.464   5.648  -6.773
  486   2HH1  ARG  62           HH22     ARG  62  53.239   4.455  -6.497
  487   1HH2  ARG  62           HH12     ARG  62  55.495   1.921  -5.781
  488   2HH2  ARG  62           HH11     ARG  62  53.823   2.345  -5.935
  489    H    ALA  63           HN       ALA  63  60.693   3.343 -10.340
  490    HA   ALA  63           HA       ALA  63  59.874   5.713 -11.934
  491   1HB   ALA  63           HB1      ALA  63  62.203   5.021 -10.204
  492   2HB   ALA  63           HB3      ALA  63  62.492   6.129 -11.547
  493   3HB   ALA  63           HB2      ALA  63  61.295   6.529 -10.315
  494    H    ASN  64           HN       ASN  64  63.075   4.326 -12.181
  495    HA   ASN  64           HA       ASN  64  63.252   4.475 -14.967
  496   1HB   ASN  64           HB2      ASN  64  64.608   2.680 -12.957
  497   2HB   ASN  64           HB1      ASN  64  64.976   2.559 -14.679
  498   1HD2  ASN  64           HD22     ASN  64  67.399   5.010 -13.371
  499   2HD2  ASN  64           HD21     ASN  64  67.127   3.338 -13.265
  500    H    ILE  65           HN       ILE  65  62.409   1.564 -13.057
  501    HA   ILE  65           HA       ILE  65  61.821  -0.025 -15.387
  502    HB   ILE  65           HB       ILE  65  60.693  -0.463 -12.614
  503   1HG1  ILE  65           HG12     ILE  65  63.446  -1.131 -13.708
  504   2HG1  ILE  65           HG11     ILE  65  63.089  -0.037 -12.372
  505   1HG2  ILE  65           HG22     ILE  65  61.014  -2.028 -15.109
  506   2HG2  ILE  65           HG21     ILE  65  61.425  -2.882 -13.623
  507   3HG2  ILE  65           HG23     ILE  65  59.816  -2.190 -13.827
  508   1HD1  ILE  65           HD13     ILE  65  61.993  -2.013 -11.203
  509   2HD1  ILE  65           HD12     ILE  65  62.697  -3.036 -12.455
  510   3HD1  ILE  65           HD11     ILE  65  63.744  -2.114 -11.376
  511    H    SER  66           HN       SER  66  59.487  -1.007 -15.600
  512    HA   SER  66           HA       SER  66  57.203   0.520 -14.832
  513   1HB   SER  66           HB2      SER  66  58.716   1.822 -16.784
  514   2HB   SER  66           HB1      SER  66  57.424   1.043 -17.693
  515    HG   SER  66           HG       SER  66  57.248   3.253 -16.370
  516    H    HIS  67           HN       HIS  67  58.063  -2.245 -15.235
  517    HA   HIS  67           HA       HIS  67  55.799  -3.127 -16.949
  518   1HB   HIS  67           HB2      HIS  67  58.491  -3.281 -17.762
  519   2HB   HIS  67           HB1      HIS  67  58.055  -4.913 -17.259
  520    HD1  HIS  67           HD1      HIS  67  58.412  -4.949 -20.115
  521    HD2  HIS  67           HD2      HIS  67  54.849  -3.483 -18.522
  522    HE1  HIS  67           HE1      HIS  67  56.692  -5.071 -21.971
  523    H    LYS  68           HN       LYS  68  56.552  -5.930 -16.693
  524    HA   LYS  68           HA       LYS  68  55.259  -6.772 -14.424
  525   1HB   LYS  68           HB2      LYS  68  57.731  -7.966 -15.705
  526   2HB   LYS  68           HB1      LYS  68  56.820  -8.785 -14.434
  527   1HG   LYS  68           HG2      LYS  68  54.750  -8.447 -15.902
  528   2HG   LYS  68           HG1      LYS  68  55.866  -8.006 -17.195
  529   1HD   LYS  68           HD2      LYS  68  56.343 -10.169 -17.593
  530   2HD   LYS  68           HD1      LYS  68  56.763 -10.429 -15.899
  531   1HE   LYS  68           HE2      LYS  68  54.930 -11.769 -15.859
  532   2HE   LYS  68           HE1      LYS  68  54.023 -10.258 -15.777
  533   1HZ   LYS  68           HZ2      LYS  68  53.907 -10.246 -18.195
  534   2HZ   LYS  68           HZ1      LYS  68  54.752 -11.718 -18.259
  535   3HZ   LYS  68           HZ3      LYS  68  53.210 -11.658 -17.559
  536    H    ASP  69           HN       ASP  69  58.690  -5.860 -14.580
  537    HA   ASP  69           HA       ASP  69  59.280  -6.342 -11.841
  538   1HB   ASP  69           HB2      ASP  69  60.558  -4.944 -14.119
  539   2HB   ASP  69           HB1      ASP  69  60.983  -4.320 -12.524
  540    H    MET  70           HN       MET  70  58.374  -3.382 -13.636
  541    HA   MET  70           HA       MET  70  58.111  -1.840 -11.172
  542   1HB   MET  70           HB2      MET  70  58.705  -0.774 -13.337
  543   2HB   MET  70           HB1      MET  70  57.116  -1.206 -13.967
  544   1HG   MET  70           HG2      MET  70  57.076   0.192 -11.371
  545   2HG   MET  70           HG1      MET  70  57.671   1.161 -12.719
  546   1HE   MET  70           HE1      MET  70  56.124   2.601 -12.092
  547   2HE   MET  70           HE3      MET  70  55.001   2.856 -13.434
  548   3HE   MET  70           HE2      MET  70  54.394   2.366 -11.856
  549    H    GLN  71           HN       GLN  71  55.611  -2.388 -13.682
  550    HA   GLN  71           HA       GLN  71  53.333  -1.886 -12.255
  551   1HB   GLN  71           HB2      GLN  71  53.323  -2.702 -14.594
  552   2HB   GLN  71           HB1      GLN  71  53.715  -4.325 -14.022
  553   1HG   GLN  71           HG2      GLN  71  51.365  -4.373 -14.263
  554   2HG   GLN  71           HG1      GLN  71  51.604  -4.095 -12.538
  555   1HE2  GLN  71           HE22     GLN  71  49.530  -1.257 -12.774
  556   2HE2  GLN  71           HE21     GLN  71  49.873  -2.721 -11.987
  557    H    LEU  72           HN       LEU  72  55.376  -4.772 -11.877
  558    HA   LEU  72           HA       LEU  72  53.597  -5.626  -9.624
  559   1HB   LEU  72           HB2      LEU  72  54.886  -7.072 -11.746
  560   2HB   LEU  72           HB1      LEU  72  55.519  -7.635 -10.198
  561    HG   LEU  72           HG       LEU  72  53.197  -7.939  -9.399
  562   1HD1  LEU  72           HD12     LEU  72  52.250  -6.138 -10.818
  563   2HD1  LEU  72           HD11     LEU  72  52.496  -7.155 -12.238
  564   3HD1  LEU  72           HD13     LEU  72  51.355  -7.649 -10.987
  565   1HD2  LEU  72           HD21     LEU  72  54.450  -9.388 -11.597
  566   2HD2  LEU  72           HD23     LEU  72  53.556 -10.022 -10.214
  567   3HD2  LEU  72           HD22     LEU  72  52.691  -9.515 -11.666
  568    H    GLY  73           HN       GLY  73  57.035  -6.176 -10.318
  569   1HA   GLY  73           HA2      GLY  73  58.070  -6.297  -7.797
  570   2HA   GLY  73           HA1      GLY  73  58.938  -5.482  -9.097
  571    H    ARG  74           HN       ARG  74  57.302  -3.302  -9.550
  572    HA   ARG  74           HA       ARG  74  57.497  -1.044  -8.730
  573   1HB   ARG  74           HB2      ARG  74  55.512  -0.632  -7.336
  574   2HB   ARG  74           HB1      ARG  74  55.139  -1.751  -8.646
  575   1HG   ARG  74           HG2      ARG  74  54.296  -3.101  -7.038
  576   2HG   ARG  74           HG1      ARG  74  55.973  -3.443  -6.613
  577   1HD   ARG  74           HD2      ARG  74  55.666  -2.458  -4.616
  578   2HD   ARG  74           HD1      ARG  74  55.264  -0.945  -5.427
  579    HE   ARG  74           HE       ARG  74  53.388  -2.415  -4.009
  580   1HH1  ARG  74           HH21     ARG  74  53.364  -0.155  -6.370
  581   2HH1  ARG  74           HH22     ARG  74  51.893  -0.653  -7.137
  582   1HH2  ARG  74           HH12     ARG  74  51.690  -3.644  -5.394
  583   2HH2  ARG  74           HH11     ARG  74  50.947  -2.630  -6.586
   
  No H/Q in entry =         583
  Start of MODEL    3
    1    H    MET   1           HN       MET   1  54.974 -10.527  -9.981
    2    HA   MET   1           HA       MET   1  55.458 -10.004  -7.629
    3   1HB   MET   1           HB2      MET   1  57.356  -8.881  -9.637
    4   2HB   MET   1           HB1      MET   1  57.606  -8.512  -7.931
    5   1HG   MET   1           HG2      MET   1  58.850 -10.529  -8.461
    6   2HG   MET   1           HG1      MET   1  57.483 -10.968  -7.438
    7   1HE   MET   1           HE3      MET   1  57.258 -13.078  -7.715
    8   2HE   MET   1           HE2      MET   1  56.710 -14.002  -9.111
    9   3HE   MET   1           HE1      MET   1  58.420 -13.626  -8.931
   10    H    LEU   2           HN       LEU   2  53.378  -8.577  -7.458
   11    HA   LEU   2           HA       LEU   2  53.766  -5.703  -7.583
   12   1HB   LEU   2           HB2      LEU   2  51.525  -6.964  -7.658
   13   2HB   LEU   2           HB1      LEU   2  51.703  -7.152  -5.915
   14    HG   LEU   2           HG       LEU   2  52.125  -4.564  -5.949
   15   1HD1  LEU   2           HD12     LEU   2  51.089  -5.178  -8.673
   16   2HD1  LEU   2           HD11     LEU   2  50.421  -3.759  -7.868
   17   3HD1  LEU   2           HD13     LEU   2  52.159  -3.880  -8.144
   18   1HD2  LEU   2           HD22     LEU   2  49.763  -6.225  -5.765
   19   2HD2  LEU   2           HD21     LEU   2  50.159  -4.763  -4.862
   20   3HD2  LEU   2           HD23     LEU   2  49.341  -4.644  -6.421
   21    H    GLN   3           HN       GLN   3  55.387  -7.769  -5.743
   22    HA   GLN   3           HA       GLN   3  56.173  -5.906  -3.760
   23   1HB   GLN   3           HB2      GLN   3  55.040  -6.733  -1.773
   24   2HB   GLN   3           HB1      GLN   3  53.818  -6.288  -2.963
   25   1HG   GLN   3           HG2      GLN   3  54.710  -9.059  -3.259
   26   2HG   GLN   3           HG1      GLN   3  53.987  -8.737  -1.683
   27   1HE2  GLN   3           HE21     GLN   3  51.874  -7.213  -1.972
   28   2HE2  GLN   3           HE22     GLN   3  50.805  -7.735  -3.182
   29    H    LYS   4           HN       LYS   4  57.738  -7.497  -5.235
   30    HA   LYS   4           HA       LYS   4  58.297  -9.995  -3.777
   31   1HB   LYS   4           HB2      LYS   4  58.449  -9.469  -6.401
   32   2HB   LYS   4           HB1      LYS   4  60.092  -9.015  -5.948
   33   1HG   LYS   4           HG2      LYS   4  58.959 -11.601  -4.934
   34   2HG   LYS   4           HG1      LYS   4  59.555 -11.512  -6.593
   35   1HD   LYS   4           HD2      LYS   4  61.582 -11.964  -5.669
   36   2HD   LYS   4           HD1      LYS   4  61.572 -10.259  -5.217
   37   1HE   LYS   4           HE2      LYS   4  62.020 -11.370  -3.183
   38   2HE   LYS   4           HE1      LYS   4  60.290 -11.037  -3.101
   39   1HZ   LYS   4           HZ2      LYS   4  59.910 -13.289  -4.006
   40   2HZ   LYS   4           HZ1      LYS   4  61.576 -13.593  -3.890
   41   3HZ   LYS   4           HZ3      LYS   4  60.670 -13.299  -2.488
   42    H    LYS   5           HN       LYS   5  60.290  -7.199  -4.840
   43    HA   LYS   5           HA       LYS   5  62.303  -7.810  -2.868
   44   1HB   LYS   5           HB2      LYS   5  63.306  -6.656  -4.584
   45   2HB   LYS   5           HB1      LYS   5  61.850  -5.733  -4.946
   46   1HG   LYS   5           HG2      LYS   5  63.532  -4.223  -4.068
   47   2HG   LYS   5           HG1      LYS   5  62.248  -4.396  -2.877
   48   1HD   LYS   5           HD2      LYS   5  63.742  -6.323  -1.926
   49   2HD   LYS   5           HD1      LYS   5  65.031  -5.533  -2.833
   50   1HE   LYS   5           HE2      LYS   5  63.622  -3.479  -1.479
   51   2HE   LYS   5           HE1      LYS   5  63.890  -4.768  -0.305
   52   1HZ   LYS   5           HZ1      LYS   5  66.256  -4.684  -1.528
   53   2HZ   LYS   5           HZ3      LYS   5  65.806  -3.053  -1.641
   54   3HZ   LYS   5           HZ2      LYS   5  65.892  -3.806  -0.121
   55    H    ILE   6           HN       ILE   6  59.258  -6.472  -2.659
   56    HA   ILE   6           HA       ILE   6  59.937  -4.692  -0.385
   57    HB   ILE   6           HB       ILE   6  57.276  -5.229  -1.719
   58   1HG1  ILE   6           HG12     ILE   6  59.184  -4.331  -3.151
   59   2HG1  ILE   6           HG11     ILE   6  57.723  -3.332  -3.101
   60   1HG2  ILE   6           HG22     ILE   6  57.570  -4.175   0.696
   61   2HG2  ILE   6           HG21     ILE   6  57.973  -2.727  -0.221
   62   3HG2  ILE   6           HG23     ILE   6  56.407  -3.505  -0.442
   63   1HD1  ILE   6           HD12     ILE   6  58.855  -2.046  -1.197
   64   2HD1  ILE   6           HD11     ILE   6  60.335  -2.898  -1.638
   65   3HD1  ILE   6           HD13     ILE   6  59.554  -1.826  -2.801
   66    H    GLU   7           HN       GLU   7  58.189  -7.683  -1.147
   67    HA   GLU   7           HA       GLU   7  57.223  -8.023   1.587
   68   1HB   GLU   7           HB2      GLU   7  57.279  -9.712  -0.897
   69   2HB   GLU   7           HB1      GLU   7  56.999 -10.494   0.659
   70   1HG   GLU   7           HG2      GLU   7  55.406  -8.138  -0.391
   71   2HG   GLU   7           HG1      GLU   7  54.877  -9.820  -0.460
   72    H    GLU   8           HN       GLU   8  60.139  -8.571  -0.145
   73    HA   GLU   8           HA       GLU   8  61.178 -10.649   1.600
   74   1HB   GLU   8           HB2      GLU   8  63.186 -10.460   0.335
   75   2HB   GLU   8           HB1      GLU   8  61.887 -10.168  -0.818
   76   1HG   GLU   8           HG2      GLU   8  62.206  -7.743  -0.634
   77   2HG   GLU   8           HG1      GLU   8  63.435  -7.995   0.621
   78    H    ILE   9           HN       ILE   9  61.770  -7.126   1.263
   79    HA   ILE   9           HA       ILE   9  63.528  -7.075   3.565
   80    HB   ILE   9           HB       ILE   9  63.127  -5.364   1.494
   81   1HG1  ILE   9           HG12     ILE   9  65.117  -5.330   2.818
   82   2HG1  ILE   9           HG11     ILE   9  64.433  -3.706   2.922
   83   1HG2  ILE   9           HG21     ILE   9  60.927  -4.650   2.508
   84   2HG2  ILE   9           HG23     ILE   9  61.838  -3.997   3.869
   85   3HG2  ILE   9           HG22     ILE   9  62.072  -3.334   2.252
   86   1HD1  ILE   9           HD13     ILE   9  63.268  -4.459   5.052
   87   2HD1  ILE   9           HD12     ILE   9  64.260  -5.915   4.983
   88   3HD1  ILE   9           HD11     ILE   9  65.024  -4.336   5.159
   89    H    ALA  10           HN       ALA  10  60.113  -6.598   2.990
   90    HA   ALA  10           HA       ALA  10  59.430  -5.518   5.560
   91   1HB   ALA  10           HB2      ALA  10  58.020  -6.730   3.265
   92   2HB   ALA  10           HB1      ALA  10  57.214  -6.928   4.821
   93   3HB   ALA  10           HB3      ALA  10  57.594  -5.313   4.224
   94    H    ALA  11           HN       ALA  11  59.352  -8.821   4.243
   95    HA   ALA  11           HA       ALA  11  58.577 -10.089   6.687
   96   1HB   ALA  11           HB1      ALA  11  59.671 -10.939   4.066
   97   2HB   ALA  11           HB3      ALA  11  59.965 -12.037   5.413
   98   3HB   ALA  11           HB2      ALA  11  58.313 -11.591   4.986
   99    H    LYS  12           HN       LYS  12  61.719  -9.114   5.357
  100    HA   LYS  12           HA       LYS  12  63.088 -10.540   7.553
  101   1HB   LYS  12           HB2      LYS  12  65.114 -10.033   6.487
  102   2HB   LYS  12           HB1      LYS  12  63.995 -10.210   5.138
  103   1HG   LYS  12           HG2      LYS  12  64.623  -8.154   4.483
  104   2HG   LYS  12           HG1      LYS  12  63.766  -7.523   5.891
  105   1HD   LYS  12           HD2      LYS  12  65.889  -6.655   6.263
  106   2HD   LYS  12           HD1      LYS  12  66.016  -8.185   7.134
  107   1HE   LYS  12           HE2      LYS  12  66.642  -8.763   4.438
  108   2HE   LYS  12           HE1      LYS  12  67.517  -7.286   4.839
  109   1HZ   LYS  12           HZ2      LYS  12  67.643  -9.145   6.977
  110   2HZ   LYS  12           HZ1      LYS  12  68.198  -9.862   5.540
  111   3HZ   LYS  12           HZ3      LYS  12  68.912  -8.430   6.101
  112    H    TYR  13           HN       TYR  13  61.291  -8.693   8.561
  113    HA   TYR  13           HA       TYR  13  63.066  -6.486   9.497
  114   1HB   TYR  13           HB2      TYR  13  60.116  -6.686   9.070
  115   2HB   TYR  13           HB1      TYR  13  60.684  -5.684  10.398
  116    HD1  TYR  13           HD1      TYR  13  63.244  -4.642   9.350
  117    HD2  TYR  13           HD2      TYR  13  59.452  -5.165   7.399
  118    HE1  TYR  13           HE1      TYR  13  63.819  -2.840   7.748
  119    HE2  TYR  13           HE2      TYR  13  60.029  -3.362   5.799
  120    HH   TYR  13           HH       TYR  13  62.071  -2.291   4.895
  121    H    LYS  14           HN       LYS  14  63.462  -6.286  11.670
  122    HA   LYS  14           HA       LYS  14  62.785  -8.600  13.356
  123   1HB   LYS  14           HB2      LYS  14  64.778  -6.451  13.365
  124   2HB   LYS  14           HB1      LYS  14  64.097  -6.757  14.964
  125   1HG   LYS  14           HG2      LYS  14  64.943  -8.897  15.070
  126   2HG   LYS  14           HG1      LYS  14  64.857  -9.130  13.323
  127   1HD   LYS  14           HD2      LYS  14  66.763  -7.093  14.426
  128   2HD   LYS  14           HD1      LYS  14  67.200  -8.801  14.493
  129   1HE   LYS  14           HE2      LYS  14  66.266  -7.437  11.957
  130   2HE   LYS  14           HE1      LYS  14  67.966  -7.576  12.403
  131   1HZ   LYS  14           HZ1      LYS  14  66.078  -9.842  12.058
  132   2HZ   LYS  14           HZ3      LYS  14  67.282  -9.383  10.955
  133   3HZ   LYS  14           HZ2      LYS  14  67.717  -9.974  12.487
  134    H    HIS  15           HN       HIS  15  60.507  -7.113  12.630
  135    HA   HIS  15           HA       HIS  15  59.371  -6.551  15.219
  136   1HB   HIS  15           HB2      HIS  15  60.724  -4.386  13.938
  137   2HB   HIS  15           HB1      HIS  15  58.993  -4.064  13.855
  138    HD1  HIS  15           HD1      HIS  15  61.364  -2.843  15.846
  139    HD2  HIS  15           HD2      HIS  15  58.172  -5.339  16.823
  140    HE1  HIS  15           HE1      HIS  15  60.951  -2.538  18.325
  141    H    SER  16           HN       SER  16  57.548  -7.710  14.691
  142    HA   SER  16           HA       SER  16  56.300  -8.118  12.283
  143   1HB   SER  16           HB2      SER  16  55.008  -7.598  14.964
  144   2HB   SER  16           HB1      SER  16  54.116  -8.183  13.563
  145    HG   SER  16           HG       SER  16  55.836  -9.860  13.501
  146    H    VAL  17           HN       VAL  17  56.032  -5.072  14.152
  147    HA   VAL  17           HA       VAL  17  53.926  -3.978  12.529
  148    HB   VAL  17           HB       VAL  17  55.988  -2.443  14.125
  149   1HG1  VAL  17           HG11     VAL  17  53.383  -1.850  12.821
  150   2HG1  VAL  17           HG13     VAL  17  53.634  -1.146  14.418
  151   3HG1  VAL  17           HG12     VAL  17  54.764  -0.791  13.111
  152   1HG2  VAL  17           HG22     VAL  17  54.392  -4.460  15.119
  153   2HG2  VAL  17           HG21     VAL  17  54.996  -3.099  16.064
  154   3HG2  VAL  17           HG23     VAL  17  53.381  -3.036  15.360
  155    H    VAL  18           HN       VAL  18  57.479  -3.748  12.358
  156    HA   VAL  18           HA       VAL  18  57.733  -1.719  10.437
  157    HB   VAL  18           HB       VAL  18  59.322  -4.298  10.404
  158   1HG1  VAL  18           HG11     VAL  18  59.704  -2.704   8.549
  159   2HG1  VAL  18           HG13     VAL  18  60.033  -1.441   9.733
  160   3HG1  VAL  18           HG12     VAL  18  61.113  -2.827   9.605
  161   1HG2  VAL  18           HG21     VAL  18  58.966  -2.722  12.629
  162   2HG2  VAL  18           HG23     VAL  18  60.387  -3.712  12.313
  163   3HG2  VAL  18           HG22     VAL  18  60.394  -2.003  11.893
  164    H    LYS  19           HN       LYS  19  56.382  -4.900  10.125
  165    HA   LYS  19           HA       LYS  19  56.686  -5.290   7.326
  166   1HB   LYS  19           HB2      LYS  19  55.830  -7.104   8.654
  167   2HB   LYS  19           HB1      LYS  19  54.480  -6.124   9.228
  168   1HG   LYS  19           HG2      LYS  19  53.500  -6.055   7.023
  169   2HG   LYS  19           HG1      LYS  19  54.923  -6.816   6.313
  170   1HD   LYS  19           HD2      LYS  19  52.964  -8.379   6.701
  171   2HD   LYS  19           HD1      LYS  19  54.480  -8.891   7.444
  172   1HE   LYS  19           HE2      LYS  19  53.779  -8.066   9.605
  173   2HE   LYS  19           HE1      LYS  19  52.342  -7.320   8.906
  174   1HZ   LYS  19           HZ1      LYS  19  52.574 -10.113   8.295
  175   2HZ   LYS  19           HZ3      LYS  19  52.470  -9.814   9.962
  176   3HZ   LYS  19           HZ2      LYS  19  51.254  -9.244   8.920
  177    H    LYS  20           HN       LYS  20  54.054  -3.688   9.152
  178    HA   LYS  20           HA       LYS  20  52.547  -2.898   6.854
  179   1HB   LYS  20           HB2      LYS  20  51.438  -2.768   8.954
  180   2HB   LYS  20           HB1      LYS  20  52.732  -1.803   9.662
  181   1HG   LYS  20           HG2      LYS  20  51.702   0.091   9.017
  182   2HG   LYS  20           HG1      LYS  20  51.746  -0.435   7.332
  183   1HD   LYS  20           HD2      LYS  20  49.424   0.003   8.207
  184   2HD   LYS  20           HD1      LYS  20  49.658  -1.634   7.590
  185   1HE   LYS  20           HE2      LYS  20  48.994  -2.435   9.585
  186   2HE   LYS  20           HE1      LYS  20  50.419  -1.695  10.316
  187   1HZ   LYS  20           HZ1      LYS  20  48.376   0.222   9.784
  188   2HZ   LYS  20           HZ3      LYS  20  47.812  -1.019  10.794
  189   3HZ   LYS  20           HZ2      LYS  20  49.183  -0.120  11.239
  190    H    CYS  21           HN       CYS  21  54.948  -1.130   8.806
  191    HA   CYS  21           HA       CYS  21  54.977   1.321   7.503
  192   1HB   CYS  21           HB2      CYS  21  57.266  -0.309   8.627
  193   2HB   CYS  21           HB1      CYS  21  57.460   1.349   8.073
  194    H    CYS  22           HN       CYS  22  56.885  -1.559   6.547
  195    HA   CYS  22           HA       CYS  22  57.853  -0.300   4.131
  196   1HB   CYS  22           HB2      CYS  22  59.240  -2.061   4.726
  197   2HB   CYS  22           HB1      CYS  22  57.907  -3.057   5.300
  198    H    TYR  23           HN       TYR  23  54.987  -2.087   5.033
  199    HA   TYR  23           HA       TYR  23  54.100  -2.907   2.485
  200   1HB   TYR  23           HB2      TYR  23  52.932  -2.529   5.093
  201   2HB   TYR  23           HB1      TYR  23  51.811  -2.016   3.844
  202    HD1  TYR  23           HD2      TYR  23  51.646  -3.592   1.738
  203    HD2  TYR  23           HD1      TYR  23  53.059  -4.756   5.612
  204    HE1  TYR  23           HE2      TYR  23  51.174  -5.966   1.190
  205    HE2  TYR  23           HE1      TYR  23  52.596  -7.094   5.067
  206    HH   TYR  23           HH       TYR  23  51.754  -8.537   3.595
  207    H    ASP  24           HN       ASP  24  53.333   0.128   4.222
  208    HA   ASP  24           HA       ASP  24  52.073   1.382   1.971
  209   1HB   ASP  24           HB2      ASP  24  53.532   2.994   4.034
  210   2HB   ASP  24           HB1      ASP  24  51.968   3.302   3.289
  211    H    GLY  25           HN       GLY  25  55.391   1.606   3.292
  212   1HA   GLY  25           HA2      GLY  25  56.577   3.448   1.646
  213   2HA   GLY  25           HA1      GLY  25  57.398   1.942   2.078
  214    H    ALA  26           HN       ALA  26  56.192  -0.001   0.708
  215    HA   ALA  26           HA       ALA  26  56.938   0.434  -2.034
  216   1HB   ALA  26           HB2      ALA  26  55.732  -1.764  -0.448
  217   2HB   ALA  26           HB1      ALA  26  55.370  -1.778  -2.175
  218   3HB   ALA  26           HB3      ALA  26  57.045  -1.815  -1.624
  219    H    CYS  27           HN       CYS  27  53.829   0.475  -0.324
  220    HA   CYS  27           HA       CYS  27  52.313   0.877  -2.802
  221   1HB   CYS  27           HB2      CYS  27  51.648   0.792   0.126
  222   2HB   CYS  27           HB1      CYS  27  50.483   1.473  -1.011
  223    HG   CYS  27           HG       CYS  27  50.246  -0.802  -2.154
  224    H    VAL  28           HN       VAL  28  54.431   2.809  -1.385
  225    HA   VAL  28           HA       VAL  28  53.691   5.225  -0.573
  226    HB   VAL  28           HB       VAL  28  55.936   4.973  -1.320
  227   1HG1  VAL  28           HG11     VAL  28  54.626   4.172  -3.881
  228   2HG1  VAL  28           HG13     VAL  28  56.237   4.886  -3.952
  229   3HG1  VAL  28           HG12     VAL  28  55.965   3.414  -3.019
  230   1HG2  VAL  28           HG22     VAL  28  54.374   7.175  -2.167
  231   2HG2  VAL  28           HG21     VAL  28  56.122   7.143  -1.936
  232   3HG2  VAL  28           HG23     VAL  28  55.435   6.788  -3.521
  233    H    ASN  29           HN       ASN  29  52.024   6.589  -1.015
  234    HA   ASN  29           HA       ASN  29  50.104   6.347  -2.987
  235   1HB   ASN  29           HB2      ASN  29  51.070   8.545  -1.289
  236   2HB   ASN  29           HB1      ASN  29  50.291   9.090  -2.775
  237   1HD2  ASN  29           HD22     ASN  29  47.177   8.657  -1.173
  238   2HD2  ASN  29           HD21     ASN  29  48.225   9.705  -2.002
  239    H    ASN  30           HN       ASN  30  49.749   7.714  -4.973
  240    HA   ASN  30           HA       ASN  30  51.697   7.323  -6.933
  241   1HB   ASN  30           HB2      ASN  30  50.502   8.975  -8.282
  242   2HB   ASN  30           HB1      ASN  30  49.339   8.002  -7.380
  243   1HD2  ASN  30           HD22     ASN  30  49.804  11.966  -6.449
  244   2HD2  ASN  30           HD21     ASN  30  50.950  11.191  -7.432
  245    H    ASP  31           HN       ASP  31  51.191  10.255  -4.959
  246    HA   ASP  31           HA       ASP  31  53.218  11.856  -6.101
  247   1HB   ASP  31           HB2      ASP  31  51.445  12.289  -4.154
  248   2HB   ASP  31           HB1      ASP  31  52.841  11.927  -3.139
  249    H    GLU  32           HN       GLU  32  55.391  11.622  -6.146
  250    HA   GLU  32           HA       GLU  32  56.896   9.468  -5.385
  251   1HB   GLU  32           HB2      GLU  32  57.499  12.349  -5.718
  252   2HB   GLU  32           HB1      GLU  32  58.699  11.424  -4.814
  253   1HG   GLU  32           HG2      GLU  32  59.215  10.064  -6.619
  254   2HG   GLU  32           HG1      GLU  32  57.629  10.272  -7.363
  255    H    THR  33           HN       THR  33  57.224  12.363  -3.328
  256    HA   THR  33           HA       THR  33  58.240  11.223  -1.046
  257    HB   THR  33           HB       THR  33  56.423  12.971   0.051
  258    HG1  THR  33           HG1      THR  33  55.433  13.670  -1.705
  259   1HG2  THR  33           HG22     THR  33  58.996  13.643  -1.405
  260   2HG2  THR  33           HG21     THR  33  58.227  14.638  -0.169
  261   3HG2  THR  33           HG23     THR  33  58.881  13.057   0.254
  262    H    CYS  34           HN       CYS  34  57.469   9.114  -0.719
  263    HA   CYS  34           HA       CYS  34  54.812   8.247  -0.587
  264   1HB   CYS  34           HB2      CYS  34  55.896   6.783   1.456
  265   2HB   CYS  34           HB1      CYS  34  56.025   6.373  -0.243
  266    H    GLU  35           HN       GLU  35  56.317   8.186   2.566
  267    HA   GLU  35           HA       GLU  35  53.905   9.055   3.866
  268   1HB   GLU  35           HB2      GLU  35  56.736   8.931   4.938
  269   2HB   GLU  35           HB1      GLU  35  55.287   9.066   5.926
  270   1HG   GLU  35           HG2      GLU  35  55.487   6.835   3.934
  271   2HG   GLU  35           HG1      GLU  35  56.325   6.692   5.483
  272    H    GLN  36           HN       GLN  36  56.889  10.715   2.926
  273    HA   GLN  36           HA       GLN  36  56.532  13.165   4.260
  274   1HB   GLN  36           HB2      GLN  36  58.517  12.816   2.917
  275   2HB   GLN  36           HB1      GLN  36  57.551  12.600   1.459
  276   1HG   GLN  36           HG2      GLN  36  58.589  14.880   1.641
  277   2HG   GLN  36           HG1      GLN  36  56.829  14.916   1.526
  278   1HE2  GLN  36           HE22     GLN  36  57.217  17.129   4.334
  279   2HE2  GLN  36           HE21     GLN  36  57.073  17.102   2.643
  280    H    ARG  37           HN       ARG  37  54.909  11.776   1.469
  281    HA   ARG  37           HA       ARG  37  53.310  14.207   0.995
  282   1HB   ARG  37           HB2      ARG  37  53.875  12.671  -0.891
  283   2HB   ARG  37           HB1      ARG  37  52.946  11.396  -0.102
  284   1HG   ARG  37           HG2      ARG  37  51.311  12.247  -1.494
  285   2HG   ARG  37           HG1      ARG  37  51.059  13.283  -0.089
  286   1HD   ARG  37           HD2      ARG  37  53.113  14.190  -2.035
  287   2HD   ARG  37           HD1      ARG  37  51.437  14.263  -2.580
  288    HE   ARG  37           HE       ARG  37  52.204  15.510   0.019
  289   1HH1  ARG  37           HH12     ARG  37  52.099  16.295  -3.220
  290   2HH1  ARG  37           HH11     ARG  37  50.981  17.608  -3.058
  291   1HH2  ARG  37           HH21     ARG  37  50.252  16.928   0.263
  292   2HH2  ARG  37           HH22     ARG  37  49.935  17.967  -1.086
  293    H    ALA  38           HN       ALA  38  53.069  11.081   2.616
  294    HA   ALA  38           HA       ALA  38  50.369  10.849   3.205
  295   1HB   ALA  38           HB3      ALA  38  52.665  10.545   5.175
  296   2HB   ALA  38           HB2      ALA  38  51.048   9.881   5.391
  297   3HB   ALA  38           HB1      ALA  38  52.077   9.286   4.091
  298    H    ALA  39           HN       ALA  39  52.631  12.520   5.362
  299    HA   ALA  39           HA       ALA  39  51.289  15.006   5.470
  300   1HB   ALA  39           HB1      ALA  39  49.924  12.889   6.922
  301   2HB   ALA  39           HB3      ALA  39  50.455  14.161   8.023
  302   3HB   ALA  39           HB2      ALA  39  49.414  14.556   6.655
  303    H    ARG  40           HN       ARG  40  52.744  12.509   7.454
  304    HA   ARG  40           HA       ARG  40  55.191  13.859   7.933
  305   1HB   ARG  40           HB2      ARG  40  53.017  14.795   9.580
  306   2HB   ARG  40           HB1      ARG  40  54.201  13.955  10.581
  307   1HG   ARG  40           HG2      ARG  40  55.831  15.421   8.940
  308   2HG   ARG  40           HG1      ARG  40  54.453  16.505   9.125
  309   1HD   ARG  40           HD2      ARG  40  55.221  17.078  11.160
  310   2HD   ARG  40           HD1      ARG  40  54.971  15.414  11.688
  311    HE   ARG  40           HE       ARG  40  57.377  15.181  10.485
  312   1HH1  ARG  40           HH12     ARG  40  57.942  18.056  10.563
  313   2HH1  ARG  40           HH11     ARG  40  58.655  18.282  12.125
  314   1HH2  ARG  40           HH21     ARG  40  57.501  15.263  13.382
  315   2HH2  ARG  40           HH22     ARG  40  58.406  16.701  13.720
  316    H    ILE  41           HN       ILE  41  56.362  11.993   8.069
  317    HA   ILE  41           HA       ILE  41  55.334   9.490   8.808
  318    HB   ILE  41           HB       ILE  41  57.580   9.831   7.736
  319   1HG1  ILE  41           HG12     ILE  41  58.621   7.954   9.001
  320   2HG1  ILE  41           HG11     ILE  41  57.409   8.176  10.262
  321   1HG2  ILE  41           HG21     ILE  41  58.094  11.572   9.725
  322   2HG2  ILE  41           HG23     ILE  41  58.796  10.118  10.436
  323   3HG2  ILE  41           HG22     ILE  41  59.373  10.703   8.875
  324   1HD1  ILE  41           HD11     ILE  41  56.503   7.861   7.419
  325   2HD1  ILE  41           HD13     ILE  41  56.972   6.427   8.334
  326   3HD1  ILE  41           HD12     ILE  41  55.657   7.450   8.911
  327    H    SER  42           HN       SER  42  54.038   9.559  10.571
  328    HA   SER  42           HA       SER  42  55.526   9.740  13.092
  329   1HB   SER  42           HB2      SER  42  54.091  11.228  14.115
  330   2HB   SER  42           HB1      SER  42  54.072  11.854  12.464
  331    HG   SER  42           HG       SER  42  52.121  10.954  12.142
  332    H    LEU  43           HN       LEU  43  55.082   7.418  11.961
  333    HA   LEU  43           HA       LEU  43  52.773   6.384  13.493
  334   1HB   LEU  43           HB2      LEU  43  53.872   5.668  10.820
  335   2HB   LEU  43           HB1      LEU  43  53.302   4.329  11.818
  336    HG   LEU  43           HG       LEU  43  51.400   6.471  11.982
  337   1HD1  LEU  43           HD13     LEU  43  52.302   5.685   9.202
  338   2HD1  LEU  43           HD12     LEU  43  50.696   6.338   9.528
  339   3HD1  LEU  43           HD11     LEU  43  52.129   7.309   9.864
  340   1HD2  LEU  43           HD22     LEU  43  51.528   3.612  11.118
  341   2HD2  LEU  43           HD21     LEU  43  50.516   4.366  12.350
  342   3HD2  LEU  43           HD23     LEU  43  50.109   4.546  10.643
  343    H    GLY  44           HN       GLY  44  56.111   6.586  13.312
  344   1HA   GLY  44           HA2      GLY  44  56.835   5.329  15.604
  345   2HA   GLY  44           HA1      GLY  44  56.652   3.948  14.521
  346    HA   PRO  45           HA       PRO  45  60.918   5.983  13.916
  347   1HB   PRO  45           HB2      PRO  45  62.387   4.180  15.318
  348   2HB   PRO  45           HB1      PRO  45  61.681   5.622  16.055
  349   1HG   PRO  45           HG2      PRO  45  60.832   2.794  16.284
  350   2HG   PRO  45           HG1      PRO  45  60.702   4.113  17.455
  351   1HD   PRO  45           HD2      PRO  45  58.631   3.140  15.876
  352   2HD   PRO  45           HD1      PRO  45  58.629   4.684  16.731
  353    H    ARG  46           HN       ARG  46  60.684   2.438  14.415
  354    HA   ARG  46           HA       ARG  46  62.314   1.616  12.312
  355   1HB   ARG  46           HB2      ARG  46  61.309  -0.499  12.495
  356   2HB   ARG  46           HB1      ARG  46  60.994   0.217  14.072
  357   1HG   ARG  46           HG2      ARG  46  59.013   0.375  11.785
  358   2HG   ARG  46           HG1      ARG  46  59.002  -0.920  12.974
  359   1HD   ARG  46           HD2      ARG  46  58.923   1.989  13.778
  360   2HD   ARG  46           HD1      ARG  46  57.463   1.055  13.465
  361    HE   ARG  46           HE       ARG  46  59.431   0.097  15.491
  362   1HH1  ARG  46           HH21     ARG  46  56.681   2.008  15.130
  363   2HH1  ARG  46           HH22     ARG  46  55.745   1.192  16.337
  364   1HH2  ARG  46           HH12     ARG  46  58.065  -1.343  16.800
  365   2HH2  ARG  46           HH11     ARG  46  56.530  -0.704  17.284
  366    H    CYS  47           HN       CYS  47  59.118   2.970  12.194
  367    HA   CYS  47           HA       CYS  47  58.330   2.235   9.536
  368   1HB   CYS  47           HB2      CYS  47  57.333   3.834  11.624
  369   2HB   CYS  47           HB1      CYS  47  57.567   4.939  10.260
  370    H    ILE  48           HN       ILE  48  59.755   5.271  10.713
  371    HA   ILE  48           HA       ILE  48  60.056   6.715   8.453
  372    HB   ILE  48           HB       ILE  48  61.877   6.279  10.785
  373   1HG1  ILE  48           HG12     ILE  48  61.403   8.681  11.103
  374   2HG1  ILE  48           HG11     ILE  48  60.522   8.712   9.575
  375   1HG2  ILE  48           HG21     ILE  48  62.564   7.879   8.314
  376   2HG2  ILE  48           HG23     ILE  48  63.378   8.062   9.867
  377   3HG2  ILE  48           HG22     ILE  48  63.478   6.532   8.994
  378   1HD1  ILE  48           HD12     ILE  48  58.997   6.937  10.513
  379   2HD1  ILE  48           HD11     ILE  48  59.799   7.152  12.068
  380   3HD1  ILE  48           HD13     ILE  48  58.900   8.487  11.349
  381    H    LYS  49           HN       LYS  49  62.697   4.443   9.362
  382    HA   LYS  49           HA       LYS  49  63.680   4.494   6.612
  383   1HB   LYS  49           HB2      LYS  49  64.554   2.996   9.087
  384   2HB   LYS  49           HB1      LYS  49  65.353   2.823   7.524
  385   1HG   LYS  49           HG2      LYS  49  66.494   4.733   7.851
  386   2HG   LYS  49           HG1      LYS  49  64.991   5.620   8.105
  387   1HD   LYS  49           HD2      LYS  49  65.145   5.500  10.383
  388   2HD   LYS  49           HD1      LYS  49  65.864   3.889  10.352
  389   1HE   LYS  49           HE2      LYS  49  67.482   6.159   9.275
  390   2HE   LYS  49           HE1      LYS  49  67.304   6.030  11.026
  391   1HZ   LYS  49           HZ3      LYS  49  67.888   3.550  10.553
  392   2HZ   LYS  49           HZ2      LYS  49  68.593   4.186   9.144
  393   3HZ   LYS  49           HZ1      LYS  49  69.118   4.713  10.672
  394    H    ALA  50           HN       ALA  50  61.451   2.487   8.342
  395    HA   ALA  50           HA       ALA  50  61.939   0.124   6.738
  396   1HB   ALA  50           HB3      ALA  50  59.521   0.926   8.390
  397   2HB   ALA  50           HB2      ALA  50  59.798  -0.675   7.700
  398   3HB   ALA  50           HB1      ALA  50  60.874  -0.055   8.952
  399    H    PHE  51           HN       PHE  51  59.151   2.313   6.927
  400    HA   PHE  51           HA       PHE  51  58.108   1.605   4.424
  401   1HB   PHE  51           HB2      PHE  51  56.517   3.195   4.831
  402   2HB   PHE  51           HB1      PHE  51  57.171   3.114   6.458
  403    HD1  PHE  51           HD2      PHE  51  57.499   4.959   3.206
  404    HD2  PHE  51           HD1      PHE  51  58.125   5.035   7.440
  405    HE1  PHE  51           HE2      PHE  51  58.146   7.353   3.084
  406    HE2  PHE  51           HE1      PHE  51  58.772   7.407   7.313
  407    HZ   PHE  51           HZ       PHE  51  58.777   8.571   5.151
  408    H    THR  52           HN       THR  52  60.237   4.299   5.397
  409    HA   THR  52           HA       THR  52  60.415   5.488   2.842
  410    HB   THR  52           HB       THR  52  62.521   5.311   5.013
  411    HG1  THR  52           HG1      THR  52  61.136   7.627   4.359
  412   1HG2  THR  52           HG21     THR  52  62.573   6.444   2.305
  413   2HG2  THR  52           HG23     THR  52  63.013   7.597   3.565
  414   3HG2  THR  52           HG22     THR  52  63.907   6.086   3.400
  415    H    GLU  53           HN       GLU  53  62.195   2.781   4.231
  416    HA   GLU  53           HA       GLU  53  64.044   2.445   2.076
  417   1HB   GLU  53           HB2      GLU  53  64.557   1.507   4.222
  418   2HB   GLU  53           HB1      GLU  53  63.065   0.572   4.200
  419   1HG   GLU  53           HG2      GLU  53  64.922  -0.889   3.599
  420   2HG   GLU  53           HG1      GLU  53  63.892  -0.647   2.188
  421    H    CYS  54           HN       CYS  54  60.832   1.081   2.715
  422    HA   CYS  54           HA       CYS  54  61.028  -0.737   0.429
  423   1HB   CYS  54           HB2      CYS  54  59.139  -0.259   2.630
  424   2HB   CYS  54           HB1      CYS  54  58.356  -0.641   1.093
  425    H    CYS  55           HN       CYS  55  59.972   2.459   1.085
  426    HA   CYS  55           HA       CYS  55  58.386   2.716  -1.371
  427   1HB   CYS  55           HB2      CYS  55  57.481   4.165   0.176
  428   2HB   CYS  55           HB1      CYS  55  58.996   4.351   1.039
  429    H    VAL  56           HN       VAL  56  61.627   3.304  -0.214
  430    HA   VAL  56           HA       VAL  56  62.415   4.868  -2.567
  431    HB   VAL  56           HB       VAL  56  64.129   3.489  -0.466
  432   1HG1  VAL  56           HG11     VAL  56  64.748   5.554  -2.595
  433   2HG1  VAL  56           HG13     VAL  56  65.854   5.122  -1.292
  434   3HG1  VAL  56           HG12     VAL  56  65.385   3.913  -2.487
  435   1HG2  VAL  56           HG22     VAL  56  62.414   5.596  -0.045
  436   2HG2  VAL  56           HG21     VAL  56  63.878   5.293   0.890
  437   3HG2  VAL  56           HG23     VAL  56  63.913   6.429  -0.458
  438    H    VAL  57           HN       VAL  57  62.789   1.549  -1.357
  439    HA   VAL  57           HA       VAL  57  64.326   0.661  -3.624
  440    HB   VAL  57           HB       VAL  57  63.663  -1.601  -2.904
  441   1HG1  VAL  57           HG13     VAL  57  64.537   0.422  -0.872
  442   2HG1  VAL  57           HG12     VAL  57  64.236  -1.234  -0.345
  443   3HG1  VAL  57           HG11     VAL  57  65.451  -0.910  -1.581
  444   1HG2  VAL  57           HG22     VAL  57  61.707  -0.052  -1.203
  445   2HG2  VAL  57           HG21     VAL  57  61.361  -1.339  -2.358
  446   3HG2  VAL  57           HG23     VAL  57  62.157  -1.716  -0.831
  447    H    ALA  58           HN       ALA  58  60.928   0.833  -2.726
  448    HA   ALA  58           HA       ALA  58  59.877  -0.293  -5.152
  449   1HB   ALA  58           HB1      ALA  58  58.690   1.707  -3.200
  450   2HB   ALA  58           HB3      ALA  58  57.780   0.879  -4.463
  451   3HB   ALA  58           HB2      ALA  58  58.483  -0.044  -3.135
  452    H    SER  59           HN       SER  59  61.207   2.718  -4.178
  453    HA   SER  59           HA       SER  59  60.096   4.433  -6.170
  454   1HB   SER  59           HB2      SER  59  61.391   5.001  -4.031
  455   2HB   SER  59           HB1      SER  59  62.837   4.774  -5.010
  456    HG   SER  59           HG       SER  59  61.092   6.842  -4.947
  457    H    GLN  60           HN       GLN  60  63.419   3.182  -5.993
  458    HA   GLN  60           HA       GLN  60  64.051   3.710  -8.727
  459   1HB   GLN  60           HB2      GLN  60  65.312   2.531  -6.418
  460   2HB   GLN  60           HB1      GLN  60  65.598   1.525  -7.839
  461   1HG   GLN  60           HG2      GLN  60  66.784   3.176  -8.935
  462   2HG   GLN  60           HG1      GLN  60  65.876   4.476  -8.158
  463   1HE2  GLN  60           HE22     GLN  60  67.869   3.922  -5.033
  464   2HE2  GLN  60           HE21     GLN  60  66.223   3.822  -5.431
  465    H    LEU  61           HN       LEU  61  62.397   1.126  -7.134
  466    HA   LEU  61           HA       LEU  61  62.734  -0.837  -9.236
  467   1HB   LEU  61           HB2      LEU  61  60.994  -0.537  -6.807
  468   2HB   LEU  61           HB1      LEU  61  60.634  -1.798  -7.974
  469    HG   LEU  61           HG       LEU  61  63.150  -1.427  -6.387
  470   1HD1  LEU  61           HD13     LEU  61  60.946  -3.473  -6.513
  471   2HD1  LEU  61           HD12     LEU  61  62.534  -3.902  -5.878
  472   3HD1  LEU  61           HD11     LEU  61  61.587  -2.633  -5.101
  473   1HD2  LEU  61           HD23     LEU  61  62.686  -2.772  -8.973
  474   2HD2  LEU  61           HD22     LEU  61  64.200  -2.230  -8.248
  475   3HD2  LEU  61           HD21     LEU  61  63.491  -3.770  -7.761
  476    H    ARG  62           HN       ARG  62  60.444   1.705  -8.432
  477    HA   ARG  62           HA       ARG  62  58.845   0.980 -10.815
  478   1HB   ARG  62           HB2      ARG  62  57.048   2.207  -9.902
  479   2HB   ARG  62           HB1      ARG  62  57.776   1.403  -8.514
  480   1HG   ARG  62           HG2      ARG  62  58.954   3.421  -7.880
  481   2HG   ARG  62           HG1      ARG  62  58.453   4.233  -9.363
  482   1HD   ARG  62           HD2      ARG  62  56.609   4.955  -8.288
  483   2HD   ARG  62           HD1      ARG  62  56.079   3.280  -8.169
  484    HE   ARG  62           HE       ARG  62  56.616   3.353  -5.882
  485   1HH1  ARG  62           HH21     ARG  62  57.695   6.192  -7.453
  486   2HH1  ARG  62           HH22     ARG  62  58.673   6.726  -6.128
  487   1HH2  ARG  62           HH12     ARG  62  58.155   3.870  -4.239
  488   2HH2  ARG  62           HH11     ARG  62  58.937   5.413  -4.315
  489    H    ALA  63           HN       ALA  63  61.455   2.917 -10.146
  490    HA   ALA  63           HA       ALA  63  60.694   5.387 -11.392
  491   1HB   ALA  63           HB2      ALA  63  63.402   4.066 -11.067
  492   2HB   ALA  63           HB1      ALA  63  63.170   5.714 -11.649
  493   3HB   ALA  63           HB3      ALA  63  62.683   5.280 -10.011
  494    H    ASN  64           HN       ASN  64  63.402   4.405 -13.131
  495    HA   ASN  64           HA       ASN  64  62.373   4.766 -15.663
  496   1HB   ASN  64           HB2      ASN  64  64.406   2.624 -14.981
  497   2HB   ASN  64           HB1      ASN  64  64.230   3.470 -16.520
  498   1HD2  ASN  64           HD22     ASN  64  66.940   5.291 -14.845
  499   2HD2  ASN  64           HD21     ASN  64  66.705   3.810 -15.641
  500    H    ILE  65           HN       ILE  65  62.149   1.820 -13.709
  501    HA   ILE  65           HA       ILE  65  61.203   0.052 -15.705
  502    HB   ILE  65           HB       ILE  65  60.076   0.022 -12.908
  503   1HG1  ILE  65           HG12     ILE  65  62.921  -0.466 -13.807
  504   2HG1  ILE  65           HG11     ILE  65  62.354   0.471 -12.426
  505   1HG2  ILE  65           HG21     ILE  65  60.983  -2.080 -14.900
  506   2HG2  ILE  65           HG23     ILE  65  60.440  -2.439 -13.263
  507   3HG2  ILE  65           HG22     ILE  65  59.324  -1.726 -14.421
  508   1HD1  ILE  65           HD11     ILE  65  61.335  -2.083 -11.962
  509   2HD1  ILE  65           HD13     ILE  65  62.951  -2.380 -12.604
  510   3HD1  ILE  65           HD12     ILE  65  62.742  -1.368 -11.175
  511    H    SER  66           HN       SER  66  58.858  -0.718 -15.875
  512    HA   SER  66           HA       SER  66  56.666   0.949 -15.148
  513   1HB   SER  66           HB2      SER  66  56.215   1.892 -17.468
  514   2HB   SER  66           HB1      SER  66  57.550   2.642 -16.598
  515    HG   SER  66           HG       SER  66  57.789   0.527 -18.483
  516    H    HIS  67           HN       HIS  67  57.130  -1.807 -15.225
  517    HA   HIS  67           HA       HIS  67  54.869  -2.678 -16.882
  518   1HB   HIS  67           HB2      HIS  67  57.427  -2.879 -17.972
  519   2HB   HIS  67           HB1      HIS  67  57.115  -4.489 -17.326
  520    HD1  HIS  67           HD1      HIS  67  56.602  -2.612 -20.304
  521    HD2  HIS  67           HD2      HIS  67  54.254  -5.310 -18.164
  522    HE1  HIS  67           HE1      HIS  67  54.822  -3.437 -21.904
  523    H    LYS  68           HN       LYS  68  55.661  -5.515 -16.621
  524    HA   LYS  68           HA       LYS  68  54.489  -6.262 -14.243
  525   1HB   LYS  68           HB2      LYS  68  56.935  -7.595 -15.447
  526   2HB   LYS  68           HB1      LYS  68  55.791  -8.349 -14.337
  527   1HG   LYS  68           HG2      LYS  68  54.214  -7.259 -16.393
  528   2HG   LYS  68           HG1      LYS  68  55.587  -8.011 -17.207
  529   1HD   LYS  68           HD2      LYS  68  54.485  -9.968 -16.952
  530   2HD   LYS  68           HD1      LYS  68  54.916  -9.858 -15.245
  531   1HE   LYS  68           HE2      LYS  68  52.824  -8.597 -14.813
  532   2HE   LYS  68           HE1      LYS  68  52.385  -8.770 -16.513
  533   1HZ   LYS  68           HZ1      LYS  68  52.716 -11.258 -16.081
  534   2HZ   LYS  68           HZ3      LYS  68  52.594 -10.855 -14.437
  535   3HZ   LYS  68           HZ2      LYS  68  51.302 -10.523 -15.489
  536    H    ASP  69           HN       ASP  69  57.925  -5.450 -14.657
  537    HA   ASP  69           HA       ASP  69  58.707  -5.862 -11.961
  538   1HB   ASP  69           HB2      ASP  69  59.806  -4.175 -14.214
  539   2HB   ASP  69           HB1      ASP  69  60.541  -4.162 -12.612
  540    H    MET  70           HN       MET  70  57.981  -2.804 -13.694
  541    HA   MET  70           HA       MET  70  57.857  -1.254 -11.253
  542   1HB   MET  70           HB2      MET  70  58.316  -0.388 -13.612
  543   2HB   MET  70           HB1      MET  70  56.582  -0.527 -13.898
  544   1HG   MET  70           HG2      MET  70  57.077   0.802 -11.384
  545   2HG   MET  70           HG1      MET  70  57.938   1.625 -12.681
  546   1HE   MET  70           HE1      MET  70  56.587   3.723 -12.266
  547   2HE   MET  70           HE3      MET  70  56.932   3.411 -13.973
  548   3HE   MET  70           HE2      MET  70  55.356   4.031 -13.489
  549    H    GLN  71           HN       GLN  71  55.185  -1.821 -13.576
  550    HA   GLN  71           HA       GLN  71  53.038  -1.122 -12.012
  551   1HB   GLN  71           HB2      GLN  71  53.135  -2.239 -14.392
  552   2HB   GLN  71           HB1      GLN  71  52.866  -3.732 -13.491
  553   1HG   GLN  71           HG2      GLN  71  50.888  -2.615 -12.391
  554   2HG   GLN  71           HG1      GLN  71  51.104  -1.268 -13.509
  555   1HE2  GLN  71           HE22     GLN  71  49.002  -2.974 -15.773
  556   2HE2  GLN  71           HE21     GLN  71  49.284  -1.561 -14.874
  557    H    LEU  72           HN       LEU  72  54.836  -4.205 -11.784
  558    HA   LEU  72           HA       LEU  72  53.221  -4.867  -9.350
  559   1HB   LEU  72           HB2      LEU  72  54.284  -6.431 -11.540
  560   2HB   LEU  72           HB1      LEU  72  54.893  -7.042 -10.002
  561    HG   LEU  72           HG       LEU  72  52.557  -7.071  -9.152
  562   1HD1  LEU  72           HD12     LEU  72  52.043  -6.131 -11.975
  563   2HD1  LEU  72           HD11     LEU  72  50.782  -6.841 -10.967
  564   3HD1  LEU  72           HD13     LEU  72  51.568  -5.343 -10.470
  565   1HD2  LEU  72           HD21     LEU  72  53.653  -8.724 -11.292
  566   2HD2  LEU  72           HD23     LEU  72  52.736  -9.214  -9.866
  567   3HD2  LEU  72           HD22     LEU  72  51.890  -8.704 -11.326
  568    H    GLY  73           HN       GLY  73  56.521  -5.750 -10.288
  569   1HA   GLY  73           HA2      GLY  73  57.728  -5.870  -7.828
  570   2HA   GLY  73           HA1      GLY  73  58.576  -5.265  -9.253
  571    H    ARG  74           HN       ARG  74  56.681  -3.021  -9.546
  572    HA   ARG  74           HA       ARG  74  56.502  -0.787  -8.854
  573   1HB   ARG  74           HB2      ARG  74  57.000  -2.047  -6.139
  574   2HB   ARG  74           HB1      ARG  74  56.478  -0.381  -6.396
  575   1HG   ARG  74           HG2      ARG  74  54.709  -1.914  -7.930
  576   2HG   ARG  74           HG1      ARG  74  54.900  -2.825  -6.431
  577   1HD   ARG  74           HD2      ARG  74  54.446  -0.713  -5.157
  578   2HD   ARG  74           HD1      ARG  74  54.105   0.089  -6.690
  579    HE   ARG  74           HE       ARG  74  52.512  -2.249  -5.715
  580   1HH1  ARG  74           HH12     ARG  74  51.550  -1.861  -8.270
  581   2HH1  ARG  74           HH11     ARG  74  50.459  -0.518  -8.199
  582   1HH2  ARG  74           HH21     ARG  74  51.672   0.650  -5.166
  583   2HH2  ARG  74           HH22     ARG  74  50.528   0.903  -6.443
   
  No H/Q in entry =         583
  Start of MODEL    4
    1    H    MET   1           HN       MET   1  54.261 -10.973  -9.699
    2    HA   MET   1           HA       MET   1  55.155 -10.451  -7.558
    3   1HB   MET   1           HB2      MET   1  57.010  -9.301  -9.619
    4   2HB   MET   1           HB1      MET   1  57.366  -9.163  -7.896
    5   1HG   MET   1           HG2      MET   1  58.315 -11.215  -8.123
    6   2HG   MET   1           HG1      MET   1  56.654 -11.813  -8.120
    7   1HE   MET   1           HE3      MET   1  58.536 -13.396  -8.876
    8   2HE   MET   1           HE2      MET   1  57.906 -14.131 -10.348
    9   3HE   MET   1           HE1      MET   1  59.436 -13.261 -10.393
   10    H    LEU   2           HN       LEU   2  53.138  -8.941  -7.340
   11    HA   LEU   2           HA       LEU   2  53.689  -6.081  -7.478
   12   1HB   LEU   2           HB2      LEU   2  51.380  -7.237  -7.582
   13   2HB   LEU   2           HB1      LEU   2  51.522  -7.401  -5.836
   14    HG   LEU   2           HG       LEU   2  52.125  -4.816  -5.988
   15   1HD1  LEU   2           HD12     LEU   2  50.906  -5.515  -8.607
   16   2HD1  LEU   2           HD11     LEU   2  50.297  -4.055  -7.830
   17   3HD1  LEU   2           HD13     LEU   2  52.016  -4.208  -8.196
   18   1HD2  LEU   2           HD21     LEU   2  50.012  -6.222  -5.080
   19   2HD2  LEU   2           HD23     LEU   2  50.030  -4.459  -5.105
   20   3HD2  LEU   2           HD22     LEU   2  49.221  -5.351  -6.394
   21    H    GLN   3           HN       GLN   3  55.298  -8.116  -5.695
   22    HA   GLN   3           HA       GLN   3  55.995  -6.308  -3.626
   23   1HB   GLN   3           HB2      GLN   3  54.921  -7.355  -1.679
   24   2HB   GLN   3           HB1      GLN   3  53.697  -6.779  -2.812
   25   1HG   GLN   3           HG2      GLN   3  53.471  -9.044  -3.745
   26   2HG   GLN   3           HG1      GLN   3  54.707  -9.633  -2.633
   27   1HE2  GLN   3           HE22     GLN   3  52.412  -8.841   0.226
   28   2HE2  GLN   3           HE21     GLN   3  53.942  -8.283  -0.257
   29    H    LYS   4           HN       LYS   4  57.497  -7.918  -5.291
   30    HA   LYS   4           HA       LYS   4  58.262 -10.332  -3.787
   31   1HB   LYS   4           HB2      LYS   4  58.172 -10.088  -6.378
   32   2HB   LYS   4           HB1      LYS   4  59.718  -9.259  -6.196
   33   1HG   LYS   4           HG2      LYS   4  59.268 -11.925  -4.877
   34   2HG   LYS   4           HG1      LYS   4  59.725 -11.840  -6.579
   35   1HD   LYS   4           HD2      LYS   4  61.868 -11.569  -5.953
   36   2HD   LYS   4           HD1      LYS   4  61.422 -10.038  -5.199
   37   1HE   LYS   4           HE2      LYS   4  62.473 -11.462  -3.524
   38   2HE   LYS   4           HE1      LYS   4  60.759 -11.299  -3.141
   39   1HZ   LYS   4           HZ3      LYS   4  60.967 -13.452  -4.858
   40   2HZ   LYS   4           HZ2      LYS   4  62.236 -13.637  -3.743
   41   3HZ   LYS   4           HZ1      LYS   4  60.634 -13.495  -3.194
   42    H    LYS   5           HN       LYS   5  59.955  -7.403  -4.992
   43    HA   LYS   5           HA       LYS   5  62.176  -7.908  -3.197
   44   1HB   LYS   5           HB2      LYS   5  62.978  -6.787  -5.038
   45   2HB   LYS   5           HB1      LYS   5  61.473  -5.905  -5.281
   46   1HG   LYS   5           HG2      LYS   5  63.212  -4.354  -4.583
   47   2HG   LYS   5           HG1      LYS   5  62.016  -4.504  -3.303
   48   1HD   LYS   5           HD2      LYS   5  63.670  -5.089  -1.891
   49   2HD   LYS   5           HD1      LYS   5  63.928  -6.539  -2.860
   50   1HE   LYS   5           HE2      LYS   5  66.031  -5.376  -2.781
   51   2HE   LYS   5           HE1      LYS   5  65.371  -5.132  -4.398
   52   1HZ   LYS   5           HZ2      LYS   5  64.407  -3.138  -2.647
   53   2HZ   LYS   5           HZ1      LYS   5  66.104  -3.189  -2.566
   54   3HZ   LYS   5           HZ3      LYS   5  65.332  -2.958  -4.060
   55    H    ILE   6           HN       ILE   6  59.105  -6.561  -2.847
   56    HA   ILE   6           HA       ILE   6  59.964  -4.807  -0.603
   57    HB   ILE   6           HB       ILE   6  57.243  -5.161  -1.883
   58   1HG1  ILE   6           HG12     ILE   6  59.239  -4.217  -3.234
   59   2HG1  ILE   6           HG11     ILE   6  57.746  -3.266  -3.197
   60   1HG2  ILE   6           HG23     ILE   6  57.324  -4.353   0.523
   61   2HG2  ILE   6           HG22     ILE   6  58.229  -2.955  -0.051
   62   3HG2  ILE   6           HG21     ILE   6  56.580  -3.230  -0.613
   63   1HD1  ILE   6           HD12     ILE   6  59.642  -2.692  -1.003
   64   2HD1  ILE   6           HD11     ILE   6  60.219  -2.261  -2.613
   65   3HD1  ILE   6           HD13     ILE   6  58.709  -1.580  -2.006
   66    H    GLU   7           HN       GLU   7  58.137  -7.735  -1.334
   67    HA   GLU   7           HA       GLU   7  57.199  -8.057   1.415
   68   1HB   GLU   7           HB2      GLU   7  55.968  -9.120  -0.443
   69   2HB   GLU   7           HB1      GLU   7  57.400 -10.061  -0.861
   70   1HG   GLU   7           HG2      GLU   7  56.735 -11.634   0.596
   71   2HG   GLU   7           HG1      GLU   7  56.968 -10.472   1.902
   72    H    GLU   8           HN       GLU   8  60.062  -8.671  -0.396
   73    HA   GLU   8           HA       GLU   8  61.132 -10.745   1.328
   74   1HB   GLU   8           HB2      GLU   8  63.105 -10.574   0.010
   75   2HB   GLU   8           HB1      GLU   8  61.781 -10.260  -1.110
   76   1HG   GLU   8           HG2      GLU   8  62.146  -7.842  -0.944
   77   2HG   GLU   8           HG1      GLU   8  63.384  -8.104   0.300
   78    H    ILE   9           HN       ILE   9  61.745  -7.233   0.974
   79    HA   ILE   9           HA       ILE   9  63.565  -7.174   3.224
   80    HB   ILE   9           HB       ILE   9  63.397  -5.517   1.241
   81   1HG1  ILE   9           HG12     ILE   9  64.908  -5.211   3.162
   82   2HG1  ILE   9           HG11     ILE   9  64.219  -3.666   2.663
   83   1HG2  ILE   9           HG21     ILE   9  60.882  -5.167   1.839
   84   2HG2  ILE   9           HG23     ILE   9  61.502  -4.056   3.061
   85   3HG2  ILE   9           HG22     ILE   9  61.843  -3.771   1.354
   86   1HD1  ILE   9           HD11     ILE   9  62.348  -4.385   4.445
   87   2HD1  ILE   9           HD13     ILE   9  63.718  -5.257   5.131
   88   3HD1  ILE   9           HD12     ILE   9  63.804  -3.509   4.917
   89    H    ALA  10           HN       ALA  10  60.132  -6.618   2.744
   90    HA   ALA  10           HA       ALA  10  59.559  -5.531   5.333
   91   1HB   ALA  10           HB2      ALA  10  58.037  -6.733   3.100
   92   2HB   ALA  10           HB1      ALA  10  57.283  -6.877   4.690
   93   3HB   ALA  10           HB3      ALA  10  57.688  -5.285   4.047
   94    H    ALA  11           HN       ALA  11  59.383  -8.833   4.026
   95    HA   ALA  11           HA       ALA  11  58.660 -10.089   6.488
   96   1HB   ALA  11           HB3      ALA  11  58.575 -11.089   4.134
   97   2HB   ALA  11           HB2      ALA  11  60.310 -11.366   4.302
   98   3HB   ALA  11           HB1      ALA  11  59.181 -12.150   5.407
   99    H    LYS  12           HN       LYS  12  61.781  -9.143   5.086
  100    HA   LYS  12           HA       LYS  12  63.192 -10.554   7.263
  101   1HB   LYS  12           HB2      LYS  12  65.189 -10.077   6.147
  102   2HB   LYS  12           HB1      LYS  12  64.041 -10.197   4.817
  103   1HG   LYS  12           HG2      LYS  12  64.728  -8.147   4.196
  104   2HG   LYS  12           HG1      LYS  12  63.875  -7.527   5.611
  105   1HD   LYS  12           HD2      LYS  12  66.008  -6.701   6.012
  106   2HD   LYS  12           HD1      LYS  12  66.111  -8.250   6.848
  107   1HE   LYS  12           HE2      LYS  12  67.119  -9.271   4.840
  108   2HE   LYS  12           HE1      LYS  12  67.016  -7.723   4.003
  109   1HZ   LYS  12           HZ1      LYS  12  68.545  -8.240   6.496
  110   2HZ   LYS  12           HZ3      LYS  12  69.213  -8.083   4.944
  111   3HZ   LYS  12           HZ2      LYS  12  68.451  -6.753   5.678
  112    H    TYR  13           HN       TYR  13  61.398  -8.693   8.287
  113    HA   TYR  13           HA       TYR  13  63.172  -6.474   9.181
  114   1HB   TYR  13           HB2      TYR  13  60.220  -6.736   8.843
  115   2HB   TYR  13           HB1      TYR  13  60.795  -5.738  10.172
  116    HD1  TYR  13           HD1      TYR  13  63.332  -4.649   8.993
  117    HD2  TYR  13           HD2      TYR  13  59.421  -5.159   7.289
  118    HE1  TYR  13           HE1      TYR  13  63.784  -2.806   7.402
  119    HE2  TYR  13           HE2      TYR  13  59.876  -3.316   5.701
  120    HH   TYR  13           HH       TYR  13  63.057  -1.868   5.418
  121    H    LYS  14           HN       LYS  14  63.376  -6.081  11.409
  122    HA   LYS  14           HA       LYS  14  63.016  -8.476  13.096
  123   1HB   LYS  14           HB2      LYS  14  64.954  -6.463  12.951
  124   2HB   LYS  14           HB1      LYS  14  64.081  -6.123  14.446
  125   1HG   LYS  14           HG2      LYS  14  64.649  -8.168  15.403
  126   2HG   LYS  14           HG1      LYS  14  64.895  -8.947  13.839
  127   1HD   LYS  14           HD2      LYS  14  66.684  -6.658  14.491
  128   2HD   LYS  14           HD1      LYS  14  66.948  -8.154  15.389
  129   1HE   LYS  14           HE2      LYS  14  68.273  -7.979  13.241
  130   2HE   LYS  14           HE1      LYS  14  67.250  -9.410  13.353
  131   1HZ   LYS  14           HZ1      LYS  14  65.542  -8.182  12.095
  132   2HZ   LYS  14           HZ3      LYS  14  66.634  -6.899  11.897
  133   3HZ   LYS  14           HZ2      LYS  14  66.973  -8.416  11.211
  134    H    HIS  15           HN       HIS  15  60.640  -6.972  12.260
  135    HA   HIS  15           HA       HIS  15  59.342  -6.751  14.829
  136   1HB   HIS  15           HB2      HIS  15  60.675  -4.410  13.896
  137   2HB   HIS  15           HB1      HIS  15  58.942  -4.140  13.709
  138    HD1  HIS  15           HD1      HIS  15  61.528  -3.857  16.169
  139    HD2  HIS  15           HD2      HIS  15  57.516  -4.983  16.290
  140    HE1  HIS  15           HE1      HIS  15  60.799  -3.649  18.585
  141    H    SER  16           HN       SER  16  57.472  -7.734  14.220
  142    HA   SER  16           HA       SER  16  56.364  -8.060  11.722
  143   1HB   SER  16           HB2      SER  16  54.075  -7.733  13.119
  144   2HB   SER  16           HB1      SER  16  55.087  -9.168  13.252
  145    HG   SER  16           HG       SER  16  54.596  -8.239  15.295
  146    H    VAL  17           HN       VAL  17  55.818  -5.146  13.768
  147    HA   VAL  17           HA       VAL  17  53.956  -3.887  12.038
  148    HB   VAL  17           HB       VAL  17  55.975  -2.371  13.685
  149   1HG1  VAL  17           HG12     VAL  17  53.959  -1.466  12.155
  150   2HG1  VAL  17           HG11     VAL  17  53.048  -1.808  13.626
  151   3HG1  VAL  17           HG13     VAL  17  54.407  -0.685  13.672
  152   1HG2  VAL  17           HG21     VAL  17  54.050  -4.401  14.561
  153   2HG2  VAL  17           HG23     VAL  17  55.355  -3.631  15.464
  154   3HG2  VAL  17           HG22     VAL  17  53.787  -2.836  15.329
  155    H    VAL  18           HN       VAL  18  57.520  -3.779  12.049
  156    HA   VAL  18           HA       VAL  18  57.904  -1.701  10.186
  157    HB   VAL  18           HB       VAL  18  59.487  -4.279  10.099
  158   1HG1  VAL  18           HG12     VAL  18  59.933  -2.398   8.479
  159   2HG1  VAL  18           HG11     VAL  18  60.352  -1.397   9.870
  160   3HG1  VAL  18           HG13     VAL  18  61.307  -2.830   9.498
  161   1HG2  VAL  18           HG22     VAL  18  58.987  -2.825  12.434
  162   2HG2  VAL  18           HG21     VAL  18  60.315  -3.951  12.162
  163   3HG2  VAL  18           HG23     VAL  18  60.546  -2.234  11.873
  164    H    LYS  19           HN       LYS  19  56.551  -4.859   9.784
  165    HA   LYS  19           HA       LYS  19  56.935  -5.173   6.965
  166   1HB   LYS  19           HB2      LYS  19  55.981  -6.831   8.783
  167   2HB   LYS  19           HB1      LYS  19  54.431  -6.124   8.324
  168   1HG   LYS  19           HG2      LYS  19  54.821  -6.712   5.980
  169   2HG   LYS  19           HG1      LYS  19  56.415  -7.350   6.385
  170   1HD   LYS  19           HD2      LYS  19  54.140  -8.447   7.947
  171   2HD   LYS  19           HD1      LYS  19  54.203  -8.903   6.244
  172   1HE   LYS  19           HE2      LYS  19  56.373  -9.861   6.474
  173   2HE   LYS  19           HE1      LYS  19  56.615  -9.113   8.052
  174   1HZ   LYS  19           HZ1      LYS  19  54.794 -10.473   8.914
  175   2HZ   LYS  19           HZ3      LYS  19  54.628 -11.221   7.401
  176   3HZ   LYS  19           HZ2      LYS  19  56.054 -11.432   8.300
  177    H    LYS  20           HN       LYS  20  54.219  -3.771   8.836
  178    HA   LYS  20           HA       LYS  20  52.684  -2.990   6.548
  179   1HB   LYS  20           HB2      LYS  20  51.595  -3.028   8.690
  180   2HB   LYS  20           HB1      LYS  20  52.778  -1.917   9.376
  181   1HG   LYS  20           HG2      LYS  20  51.366  -0.242   8.827
  182   2HG   LYS  20           HG1      LYS  20  51.770  -0.556   7.137
  183   1HD   LYS  20           HD2      LYS  20  49.344  -0.637   7.424
  184   2HD   LYS  20           HD1      LYS  20  49.945  -2.254   7.054
  185   1HE   LYS  20           HE2      LYS  20  48.280  -2.196   8.943
  186   2HE   LYS  20           HE1      LYS  20  49.836  -2.898   9.385
  187   1HZ   LYS  20           HZ1      LYS  20  49.530  -0.020   9.737
  188   2HZ   LYS  20           HZ3      LYS  20  48.677  -1.016  10.812
  189   3HZ   LYS  20           HZ2      LYS  20  50.366  -1.150  10.692
  190    H    CYS  21           HN       CYS  21  55.014  -1.213   8.570
  191    HA   CYS  21           HA       CYS  21  54.906   1.296   7.348
  192   1HB   CYS  21           HB2      CYS  21  57.247  -0.257   8.475
  193   2HB   CYS  21           HB1      CYS  21  57.387   1.418   7.948
  194    H    CYS  22           HN       CYS  22  56.873  -1.510   6.347
  195    HA   CYS  22           HA       CYS  22  57.899  -0.187   3.988
  196   1HB   CYS  22           HB2      CYS  22  59.253  -1.968   4.634
  197   2HB   CYS  22           HB1      CYS  22  57.887  -2.997   5.051
  198    H    TYR  23           HN       TYR  23  55.017  -1.991   4.783
  199    HA   TYR  23           HA       TYR  23  54.197  -2.736   2.178
  200   1HB   TYR  23           HB2      TYR  23  52.967  -2.484   4.791
  201   2HB   TYR  23           HB1      TYR  23  51.858  -2.009   3.517
  202    HD1  TYR  23           HD2      TYR  23  51.749  -3.552   1.416
  203    HD2  TYR  23           HD1      TYR  23  53.276  -4.713   5.247
  204    HE1  TYR  23           HE2      TYR  23  51.408  -5.938   0.823
  205    HE2  TYR  23           HE1      TYR  23  52.942  -7.062   4.658
  206    HH   TYR  23           HH       TYR  23  51.371  -8.041   1.634
  207    H    ASP  24           HN       ASP  24  53.399   0.202   4.052
  208    HA   ASP  24           HA       ASP  24  52.075   1.524   1.873
  209   1HB   ASP  24           HB2      ASP  24  53.489   3.081   4.006
  210   2HB   ASP  24           HB1      ASP  24  51.905   3.360   3.292
  211    H    GLY  25           HN       GLY  25  55.397   1.832   3.202
  212   1HA   GLY  25           HA2      GLY  25  56.469   3.776   1.581
  213   2HA   GLY  25           HA1      GLY  25  57.378   2.319   2.003
  214    H    ALA  26           HN       ALA  26  56.244   0.321   0.634
  215    HA   ALA  26           HA       ALA  26  57.009   0.782  -2.093
  216   1HB   ALA  26           HB1      ALA  26  57.008  -1.450  -0.905
  217   2HB   ALA  26           HB3      ALA  26  55.251  -1.459  -1.061
  218   3HB   ALA  26           HB2      ALA  26  56.266  -1.475  -2.505
  219    H    CYS  27           HN       CYS  27  53.880   0.771  -0.423
  220    HA   CYS  27           HA       CYS  27  52.409   1.174  -2.943
  221   1HB   CYS  27           HB2      CYS  27  51.636   1.000  -0.034
  222   2HB   CYS  27           HB1      CYS  27  50.485   1.582  -1.237
  223    HG   CYS  27           HG       CYS  27  51.808  -1.249  -1.448
  224    H    VAL  28           HN       VAL  28  54.425   3.116  -1.459
  225    HA   VAL  28           HA       VAL  28  53.574   5.467  -0.530
  226    HB   VAL  28           HB       VAL  28  55.830   5.401  -1.212
  227   1HG1  VAL  28           HG13     VAL  28  54.686   4.556  -3.862
  228   2HG1  VAL  28           HG12     VAL  28  56.321   5.212  -3.767
  229   3HG1  VAL  28           HG11     VAL  28  55.904   3.751  -2.872
  230   1HG2  VAL  28           HG22     VAL  28  54.304   7.546  -1.961
  231   2HG2  VAL  28           HG21     VAL  28  56.062   7.496  -2.099
  232   3HG2  VAL  28           HG23     VAL  28  55.056   7.117  -3.497
  233    H    ASN  29           HN       ASN  29  52.365   7.280  -1.187
  234    HA   ASN  29           HA       ASN  29  50.665   6.856  -3.591
  235   1HB   ASN  29           HB2      ASN  29  50.003   7.628  -1.040
  236   2HB   ASN  29           HB1      ASN  29  50.110   9.182  -1.867
  237   1HD2  ASN  29           HD22     ASN  29  47.164   8.674  -3.752
  238   2HD2  ASN  29           HD21     ASN  29  48.466   9.704  -3.400
  239    H    ASN  30           HN       ASN  30  52.894   9.199  -2.134
  240    HA   ASN  30           HA       ASN  30  52.662  10.929  -4.533
  241   1HB   ASN  30           HB2      ASN  30  52.785  11.778  -2.084
  242   2HB   ASN  30           HB1      ASN  30  54.507  11.410  -2.197
  243   1HD2  ASN  30           HD22     ASN  30  53.143  14.187  -4.913
  244   2HD2  ASN  30           HD21     ASN  30  52.219  12.793  -4.622
  245    H    ASP  31           HN       ASP  31  54.482  11.370  -5.874
  246    HA   ASP  31           HA       ASP  31  56.138   9.241  -6.590
  247   1HB   ASP  31           HB2      ASP  31  55.965  11.135  -8.058
  248   2HB   ASP  31           HB1      ASP  31  56.609  12.223  -6.828
  249    H    GLU  32           HN       GLU  32  57.491  12.117  -4.966
  250    HA   GLU  32           HA       GLU  32  59.617  10.426  -3.827
  251   1HB   GLU  32           HB2      GLU  32  59.139  13.355  -4.123
  252   2HB   GLU  32           HB1      GLU  32  60.186  12.826  -2.804
  253   1HG   GLU  32           HG2      GLU  32  61.857  12.251  -4.219
  254   2HG   GLU  32           HG1      GLU  32  60.747  11.450  -5.332
  255    H    THR  33           HN       THR  33  58.593  13.118  -1.884
  256    HA   THR  33           HA       THR  33  58.564  11.937   0.569
  257    HB   THR  33           HB       THR  33  56.554  13.533   1.084
  258    HG1  THR  33           HG1      THR  33  55.739  13.887  -0.897
  259   1HG2  THR  33           HG23     THR  33  59.296  14.292   0.105
  260   2HG2  THR  33           HG22     THR  33  58.167  15.528   0.659
  261   3HG2  THR  33           HG21     THR  33  58.684  14.251   1.759
  262    H    CYS  34           HN       CYS  34  57.864   9.768   0.479
  263    HA   CYS  34           HA       CYS  34  55.184   9.055  -0.383
  264   1HB   CYS  34           HB2      CYS  34  56.005   7.074   1.459
  265   2HB   CYS  34           HB1      CYS  34  56.043   6.979  -0.289
  266    H    GLU  35           HN       GLU  35  56.180   8.163   2.893
  267    HA   GLU  35           HA       GLU  35  53.634   8.828   3.994
  268   1HB   GLU  35           HB2      GLU  35  55.948   7.621   4.954
  269   2HB   GLU  35           HB1      GLU  35  55.818   9.090   5.920
  270   1HG   GLU  35           HG2      GLU  35  53.672   6.996   5.524
  271   2HG   GLU  35           HG1      GLU  35  54.585   7.276   7.002
  272    H    GLN  36           HN       GLN  36  56.595  10.617   3.514
  273    HA   GLN  36           HA       GLN  36  56.108  12.931   5.051
  274   1HB   GLN  36           HB2      GLN  36  57.441  12.507   2.367
  275   2HB   GLN  36           HB1      GLN  36  57.314  14.117   3.079
  276   1HG   GLN  36           HG2      GLN  36  58.265  12.825   5.220
  277   2HG   GLN  36           HG1      GLN  36  58.926  11.768   3.971
  278   1HE2  GLN  36           HE22     GLN  36  60.503  15.473   4.515
  279   2HE2  GLN  36           HE21     GLN  36  59.194  14.930   5.450
  280    H    ARG  37           HN       ARG  37  54.974  12.008   1.799
  281    HA   ARG  37           HA       ARG  37  53.372  14.382   1.413
  282   1HB   ARG  37           HB2      ARG  37  53.941  12.954  -0.501
  283   2HB   ARG  37           HB1      ARG  37  53.089  11.595   0.234
  284   1HG   ARG  37           HG2      ARG  37  51.406  13.969   0.097
  285   2HG   ARG  37           HG1      ARG  37  51.984  13.487  -1.499
  286   1HD   ARG  37           HD2      ARG  37  51.220  11.156  -1.029
  287   2HD   ARG  37           HD1      ARG  37  50.548  11.718   0.502
  288    HE   ARG  37           HE       ARG  37  49.581  13.225  -1.805
  289   1HH1  ARG  37           HH12     ARG  37  49.297  10.253  -0.093
  290   2HH1  ARG  37           HH11     ARG  37  47.581  10.139  -0.306
  291   1HH2  ARG  37           HH21     ARG  37  47.316  13.172  -1.962
  292   2HH2  ARG  37           HH22     ARG  37  46.460  11.791  -1.363
  293    H    ALA  38           HN       ALA  38  52.899  11.231   2.924
  294    HA   ALA  38           HA       ALA  38  50.160  11.102   3.356
  295   1HB   ALA  38           HB1      ALA  38  52.053   9.599   4.327
  296   2HB   ALA  38           HB3      ALA  38  52.069  10.742   5.667
  297   3HB   ALA  38           HB2      ALA  38  50.609   9.825   5.307
  298    H    ALA  39           HN       ALA  39  52.385  12.634   5.652
  299    HA   ALA  39           HA       ALA  39  51.114  15.163   5.764
  300   1HB   ALA  39           HB3      ALA  39  49.711  13.040   7.225
  301   2HB   ALA  39           HB2      ALA  39  50.153  14.404   8.254
  302   3HB   ALA  39           HB1      ALA  39  49.165  14.666   6.816
  303    H    ARG  40           HN       ARG  40  52.511  12.582   7.670
  304    HA   ARG  40           HA       ARG  40  54.935  13.925   8.275
  305   1HB   ARG  40           HB2      ARG  40  52.728  14.777   9.900
  306   2HB   ARG  40           HB1      ARG  40  53.843  13.843  10.900
  307   1HG   ARG  40           HG2      ARG  40  55.532  15.416   9.356
  308   2HG   ARG  40           HG1      ARG  40  54.190  16.497   9.728
  309   1HD   ARG  40           HD2      ARG  40  54.834  15.002  12.087
  310   2HD   ARG  40           HD1      ARG  40  56.317  15.708  11.446
  311    HE   ARG  40           HE       ARG  40  55.511  17.752  12.268
  312   1HH1  ARG  40           HH21     ARG  40  52.994  15.601  12.645
  313   2HH1  ARG  40           HH22     ARG  40  51.724  16.765  12.466
  314   1HH2  ARG  40           HH12     ARG  40  53.844  19.315  11.458
  315   2HH2  ARG  40           HH11     ARG  40  52.205  18.867  11.792
  316    H    ILE  41           HN       ILE  41  56.135  12.074   8.357
  317    HA   ILE  41           HA       ILE  41  55.089   9.525   8.968
  318    HB   ILE  41           HB       ILE  41  57.315   9.900   7.872
  319   1HG1  ILE  41           HG12     ILE  41  58.387   7.987   9.061
  320   2HG1  ILE  41           HG11     ILE  41  57.187   8.162  10.343
  321   1HG2  ILE  41           HG22     ILE  41  57.807  11.462  10.122
  322   2HG2  ILE  41           HG21     ILE  41  58.763  10.006  10.401
  323   3HG2  ILE  41           HG23     ILE  41  59.006  10.952   8.933
  324   1HD1  ILE  41           HD13     ILE  41  56.256   7.938   7.499
  325   2HD1  ILE  41           HD12     ILE  41  56.727   6.478   8.369
  326   3HD1  ILE  41           HD11     ILE  41  55.418   7.487   8.984
  327    H    SER  42           HN       SER  42  53.808   9.577  10.760
  328    HA   SER  42           HA       SER  42  55.351   9.630  13.258
  329   1HB   SER  42           HB2      SER  42  53.923  11.071  14.378
  330   2HB   SER  42           HB1      SER  42  53.947  11.793  12.767
  331    HG   SER  42           HG       SER  42  52.089  10.152  12.490
  332    H    LEU  43           HN       LEU  43  54.859   7.356  12.057
  333    HA   LEU  43           HA       LEU  43  52.559   6.293  13.581
  334   1HB   LEU  43           HB2      LEU  43  53.769   5.440  10.954
  335   2HB   LEU  43           HB1      LEU  43  52.807   4.312  11.910
  336    HG   LEU  43           HG       LEU  43  51.356   6.740  11.853
  337   1HD1  LEU  43           HD11     LEU  43  53.052   6.754   9.672
  338   2HD1  LEU  43           HD13     LEU  43  51.587   6.024   9.014
  339   3HD1  LEU  43           HD12     LEU  43  51.516   7.616   9.770
  340   1HD2  LEU  43           HD23     LEU  43  51.020   3.962  11.331
  341   2HD2  LEU  43           HD22     LEU  43  49.760   5.174  11.567
  342   3HD2  LEU  43           HD21     LEU  43  50.362   4.832   9.945
  343    H    GLY  44           HN       GLY  44  55.903   6.458  13.353
  344   1HA   GLY  44           HA2      GLY  44  56.606   5.106  15.618
  345   2HA   GLY  44           HA1      GLY  44  56.450   3.785  14.459
  346    HA   PRO  45           HA       PRO  45  60.709   5.841  13.999
  347   1HB   PRO  45           HB2      PRO  45  62.164   3.961  15.307
  348   2HB   PRO  45           HB1      PRO  45  61.441   5.350  16.127
  349   1HG   PRO  45           HG2      PRO  45  60.619   2.510  16.178
  350   2HG   PRO  45           HG1      PRO  45  60.439   3.764  17.414
  351   1HD   PRO  45           HD2      PRO  45  58.432   2.841  15.703
  352   2HD   PRO  45           HD1      PRO  45  58.362   4.305  16.686
  353    H    ARG  46           HN       ARG  46  60.545   2.281  14.328
  354    HA   ARG  46           HA       ARG  46  62.169   1.559  12.203
  355   1HB   ARG  46           HB2      ARG  46  61.156  -0.558  12.262
  356   2HB   ARG  46           HB1      ARG  46  60.852   0.076  13.875
  357   1HG   ARG  46           HG2      ARG  46  58.843   0.420  11.639
  358   2HG   ARG  46           HG1      ARG  46  58.861  -1.010  12.662
  359   1HD   ARG  46           HD2      ARG  46  58.817   1.754  13.861
  360   2HD   ARG  46           HD1      ARG  46  57.331   0.940  13.380
  361    HE   ARG  46           HE       ARG  46  58.784  -0.885  14.975
  362   1HH1  ARG  46           HH12     ARG  46  56.038   0.766  15.229
  363   2HH1  ARG  46           HH11     ARG  46  56.189   1.242  16.887
  364   1HH2  ARG  46           HH21     ARG  46  59.529   0.341  17.119
  365   2HH2  ARG  46           HH22     ARG  46  58.164   1.000  17.958
  366    H    CYS  47           HN       CYS  47  58.973   2.909  12.098
  367    HA   CYS  47           HA       CYS  47  58.222   2.266   9.410
  368   1HB   CYS  47           HB2      CYS  47  57.197   3.801  11.539
  369   2HB   CYS  47           HB1      CYS  47  57.416   4.934  10.198
  370    H    ILE  48           HN       ILE  48  59.544   5.330  10.654
  371    HA   ILE  48           HA       ILE  48  59.841   6.791   8.407
  372    HB   ILE  48           HB       ILE  48  61.637   6.429  10.770
  373   1HG1  ILE  48           HG12     ILE  48  61.078   8.864  10.996
  374   2HG1  ILE  48           HG11     ILE  48  60.101   8.735   9.534
  375   1HG2  ILE  48           HG21     ILE  48  62.326   7.885   8.228
  376   2HG2  ILE  48           HG23     ILE  48  62.954   8.424   9.785
  377   3HG2  ILE  48           HG22     ILE  48  63.339   6.809   9.190
  378   1HD1  ILE  48           HD11     ILE  48  58.730   6.979  10.631
  379   2HD1  ILE  48           HD13     ILE  48  59.677   7.184  12.104
  380   3HD1  ILE  48           HD12     ILE  48  58.673   8.506  11.509
  381    H    LYS  49           HN       LYS  49  62.527   4.586   9.351
  382    HA   LYS  49           HA       LYS  49  63.598   4.730   6.639
  383   1HB   LYS  49           HB2      LYS  49  64.433   3.501   9.225
  384   2HB   LYS  49           HB1      LYS  49  65.119   2.841   7.740
  385   1HG   LYS  49           HG2      LYS  49  66.410   4.669   7.396
  386   2HG   LYS  49           HG1      LYS  49  65.090   5.774   7.780
  387   1HD   LYS  49           HD2      LYS  49  66.687   6.137   9.497
  388   2HD   LYS  49           HD1      LYS  49  65.469   5.097  10.237
  389   1HE   LYS  49           HE2      LYS  49  66.924   3.378  10.477
  390   2HE   LYS  49           HE1      LYS  49  67.581   3.599   8.855
  391   1HZ   LYS  49           HZ1      LYS  49  68.234   5.647  10.816
  392   2HZ   LYS  49           HZ3      LYS  49  68.957   4.130  11.048
  393   3HZ   LYS  49           HZ2      LYS  49  69.194   4.969   9.589
  394    H    ALA  50           HN       ALA  50  61.398   2.592   8.271
  395    HA   ALA  50           HA       ALA  50  61.984   0.300   6.602
  396   1HB   ALA  50           HB2      ALA  50  59.528   0.972   8.253
  397   2HB   ALA  50           HB1      ALA  50  59.830  -0.587   7.484
  398   3HB   ALA  50           HB3      ALA  50  60.889  -0.020   8.774
  399    H    PHE  51           HN       PHE  51  59.143   2.417   6.800
  400    HA   PHE  51           HA       PHE  51  58.161   1.714   4.261
  401   1HB   PHE  51           HB2      PHE  51  56.492   3.217   4.680
  402   2HB   PHE  51           HB1      PHE  51  57.118   3.115   6.315
  403    HD1  PHE  51           HD2      PHE  51  57.418   5.080   3.132
  404    HD2  PHE  51           HD1      PHE  51  57.964   5.029   7.377
  405    HE1  PHE  51           HE2      PHE  51  57.938   7.509   3.103
  406    HE2  PHE  51           HE1      PHE  51  58.479   7.443   7.352
  407    HZ   PHE  51           HZ       PHE  51  58.463   8.688   5.227
  408    H    THR  52           HN       THR  52  60.173   4.454   5.333
  409    HA   THR  52           HA       THR  52  60.306   5.731   2.815
  410    HB   THR  52           HB       THR  52  62.417   5.568   4.982
  411    HG1  THR  52           HG1      THR  52  61.566   7.579   5.528
  412   1HG2  THR  52           HG22     THR  52  63.262   6.160   2.659
  413   2HG2  THR  52           HG21     THR  52  62.225   7.584   2.738
  414   3HG2  THR  52           HG23     THR  52  63.538   7.383   3.898
  415    H    GLU  53           HN       GLU  53  62.233   3.095   4.150
  416    HA   GLU  53           HA       GLU  53  64.071   2.863   1.975
  417   1HB   GLU  53           HB2      GLU  53  64.669   1.938   4.092
  418   2HB   GLU  53           HB1      GLU  53  63.198   0.969   4.127
  419   1HG   GLU  53           HG2      GLU  53  65.138  -0.420   3.498
  420   2HG   GLU  53           HG1      GLU  53  63.985  -0.310   2.167
  421    H    CYS  54           HN       CYS  54  60.915   1.381   2.607
  422    HA   CYS  54           HA       CYS  54  61.184  -0.437   0.319
  423   1HB   CYS  54           HB2      CYS  54  59.230   0.012   2.487
  424   2HB   CYS  54           HB1      CYS  54  58.523  -0.464   0.939
  425    H    CYS  55           HN       CYS  55  60.020   2.708   1.000
  426    HA   CYS  55           HA       CYS  55  58.390   2.928  -1.418
  427   1HB   CYS  55           HB2      CYS  55  57.502   4.354   0.163
  428   2HB   CYS  55           HB1      CYS  55  59.038   4.582   0.967
  429    H    VAL  56           HN       VAL  56  61.634   3.626  -0.325
  430    HA   VAL  56           HA       VAL  56  62.340   5.186  -2.706
  431    HB   VAL  56           HB       VAL  56  64.134   3.872  -0.631
  432   1HG1  VAL  56           HG13     VAL  56  64.635   5.284  -3.086
  433   2HG1  VAL  56           HG12     VAL  56  65.274   6.212  -1.729
  434   3HG1  VAL  56           HG11     VAL  56  65.791   4.545  -1.979
  435   1HG2  VAL  56           HG23     VAL  56  62.308   5.876  -0.148
  436   2HG2  VAL  56           HG22     VAL  56  63.784   5.614   0.778
  437   3HG2  VAL  56           HG21     VAL  56  63.765   6.791  -0.535
  438    H    VAL  57           HN       VAL  57  62.978   1.922  -1.439
  439    HA   VAL  57           HA       VAL  57  64.474   1.067  -3.729
  440    HB   VAL  57           HB       VAL  57  63.983  -1.203  -2.945
  441   1HG1  VAL  57           HG13     VAL  57  64.927   0.936  -1.166
  442   2HG1  VAL  57           HG12     VAL  57  64.375  -0.499  -0.302
  443   3HG1  VAL  57           HG11     VAL  57  65.653  -0.635  -1.512
  444   1HG2  VAL  57           HG22     VAL  57  61.920   0.234  -1.272
  445   2HG2  VAL  57           HG21     VAL  57  61.668  -1.093  -2.404
  446   3HG2  VAL  57           HG23     VAL  57  62.486  -1.387  -0.870
  447    H    ALA  58           HN       ALA  58  61.098   1.063  -2.749
  448    HA   ALA  58           HA       ALA  58  60.058  -0.198  -5.109
  449   1HB   ALA  58           HB2      ALA  58  58.824   1.762  -3.150
  450   2HB   ALA  58           HB1      ALA  58  57.917   0.941  -4.420
  451   3HB   ALA  58           HB3      ALA  58  58.658   0.006  -3.120
  452    H    SER  59           HN       SER  59  61.174   2.934  -4.223
  453    HA   SER  59           HA       SER  59  59.966   4.514  -6.263
  454   1HB   SER  59           HB2      SER  59  61.270   5.215  -4.151
  455   2HB   SER  59           HB1      SER  59  62.697   5.076  -5.171
  456    HG   SER  59           HG       SER  59  61.765   7.188  -5.194
  457    H    GLN  60           HN       GLN  60  63.046   2.787  -6.093
  458    HA   GLN  60           HA       GLN  60  63.844   3.547  -8.795
  459   1HB   GLN  60           HB2      GLN  60  65.043   2.340  -6.492
  460   2HB   GLN  60           HB1      GLN  60  65.268   1.271  -7.880
  461   1HG   GLN  60           HG2      GLN  60  66.462   2.876  -9.087
  462   2HG   GLN  60           HG1      GLN  60  65.736   4.216  -8.196
  463   1HE2  GLN  60           HE22     GLN  60  68.033   3.949  -5.441
  464   2HE2  GLN  60           HE21     GLN  60  66.463   4.446  -5.851
  465    H    LEU  61           HN       LEU  61  62.137   0.940  -7.272
  466    HA   LEU  61           HA       LEU  61  62.418  -0.948  -9.448
  467   1HB   LEU  61           HB2      LEU  61  60.570  -0.712  -7.071
  468   2HB   LEU  61           HB1      LEU  61  60.443  -2.036  -8.220
  469    HG   LEU  61           HG       LEU  61  62.730  -1.362  -6.403
  470   1HD1  LEU  61           HD13     LEU  61  60.562  -3.168  -6.279
  471   2HD1  LEU  61           HD12     LEU  61  61.992  -4.145  -6.612
  472   3HD1  LEU  61           HD11     LEU  61  61.952  -3.097  -5.194
  473   1HD2  LEU  61           HD23     LEU  61  62.693  -2.939  -8.954
  474   2HD2  LEU  61           HD22     LEU  61  63.943  -1.862  -8.332
  475   3HD2  LEU  61           HD21     LEU  61  63.737  -3.469  -7.634
  476    H    ARG  62           HN       ARG  62  60.231   1.637  -8.560
  477    HA   ARG  62           HA       ARG  62  58.512   0.991 -10.875
  478   1HB   ARG  62           HB2      ARG  62  56.864   2.434  -9.942
  479   2HB   ARG  62           HB1      ARG  62  57.523   1.521  -8.587
  480   1HG   ARG  62           HG2      ARG  62  58.863   3.363  -7.877
  481   2HG   ARG  62           HG1      ARG  62  58.582   4.242  -9.376
  482   1HD   ARG  62           HD2      ARG  62  56.857   5.263  -8.348
  483   2HD   ARG  62           HD1      ARG  62  56.020   3.713  -8.387
  484    HE   ARG  62           HE       ARG  62  56.453   3.470  -6.072
  485   1HH1  ARG  62           HH21     ARG  62  57.349   6.539  -7.107
  486   2HH1  ARG  62           HH22     ARG  62  58.394   6.875  -5.769
  487   1HH2  ARG  62           HH12     ARG  62  58.242   3.657  -4.492
  488   2HH2  ARG  62           HH11     ARG  62  58.896   5.248  -4.289
  489    H    ALA  63           HN       ALA  63  61.101   3.117 -10.023
  490    HA   ALA  63           HA       ALA  63  60.317   5.025 -12.165
  491   1HB   ALA  63           HB3      ALA  63  62.402   5.107  -9.976
  492   2HB   ALA  63           HB2      ALA  63  62.378   6.276 -11.296
  493   3HB   ALA  63           HB1      ALA  63  61.009   6.168 -10.190
  494    H    ASN  64           HN       ASN  64  62.149   2.228 -11.724
  495    HA   ASN  64           HA       ASN  64  64.087   2.972 -13.858
  496   1HB   ASN  64           HB2      ASN  64  65.029   1.936 -11.829
  497   2HB   ASN  64           HB1      ASN  64  63.984   0.533 -12.056
  498   1HD2  ASN  64           HD22     ASN  64  67.378  -0.080 -13.628
  499   2HD2  ASN  64           HD21     ASN  64  66.909   0.425 -12.078
  500    H    ILE  65           HN       ILE  65  61.488   0.683 -13.096
  501    HA   ILE  65           HA       ILE  65  61.622  -0.260 -15.932
  502    HB   ILE  65           HB       ILE  65  59.920  -1.830 -14.129
  503   1HG1  ILE  65           HG12     ILE  65  61.678  -1.145 -12.506
  504   2HG1  ILE  65           HG11     ILE  65  61.766  -2.868 -12.878
  505   1HG2  ILE  65           HG22     ILE  65  62.181  -2.352 -16.064
  506   2HG2  ILE  65           HG21     ILE  65  61.433  -3.643 -15.124
  507   3HG2  ILE  65           HG23     ILE  65  60.467  -2.713 -16.270
  508   1HD1  ILE  65           HD12     ILE  65  63.377  -1.823 -14.826
  509   2HD1  ILE  65           HD11     ILE  65  63.683  -0.708 -13.495
  510   3HD1  ILE  65           HD13     ILE  65  63.964  -2.435 -13.280
  511    H    SER  66           HN       SER  66  58.965  -1.414 -15.841
  512    HA   SER  66           HA       SER  66  56.956   0.435 -15.055
  513   1HB   SER  66           HB2      SER  66  56.446   1.396 -17.340
  514   2HB   SER  66           HB1      SER  66  57.915   2.017 -16.594
  515    HG   SER  66           HG       SER  66  58.966   1.239 -18.227
  516    H    HIS  67           HN       HIS  67  57.472  -2.461 -15.402
  517    HA   HIS  67           HA       HIS  67  54.947  -3.107 -16.822
  518   1HB   HIS  67           HB2      HIS  67  57.522  -3.614 -17.912
  519   2HB   HIS  67           HB1      HIS  67  56.871  -5.165 -17.387
  520    HD1  HIS  67           HD1      HIS  67  57.130  -4.383 -20.422
  521    HD2  HIS  67           HD2      HIS  67  53.654  -3.986 -18.154
  522    HE1  HIS  67           HE1      HIS  67  55.201  -4.367 -22.063
  523    H    LYS  68           HN       LYS  68  55.388  -5.969 -16.577
  524    HA   LYS  68           HA       LYS  68  54.291  -6.651 -14.177
  525   1HB   LYS  68           HB2      LYS  68  56.523  -8.096 -15.629
  526   2HB   LYS  68           HB1      LYS  68  55.632  -8.802 -14.279
  527   1HG   LYS  68           HG2      LYS  68  53.533  -8.598 -15.492
  528   2HG   LYS  68           HG1      LYS  68  54.339  -7.748 -16.810
  529   1HD   LYS  68           HD2      LYS  68  55.868  -9.960 -16.747
  530   2HD   LYS  68           HD1      LYS  68  54.364 -10.646 -16.131
  531   1HE   LYS  68           HE2      LYS  68  54.616 -10.728 -18.654
  532   2HE   LYS  68           HE1      LYS  68  53.147  -9.938 -18.081
  533   1HZ   LYS  68           HZ1      LYS  68  55.539  -8.298 -18.500
  534   2HZ   LYS  68           HZ3      LYS  68  54.676  -8.816 -19.866
  535   3HZ   LYS  68           HZ2      LYS  68  53.899  -7.887 -18.673
  536    H    ASP  69           HN       ASP  69  57.756  -6.024 -14.654
  537    HA   ASP  69           HA       ASP  69  58.544  -6.528 -11.962
  538   1HB   ASP  69           HB2      ASP  69  59.920  -6.057 -14.244
  539   2HB   ASP  69           HB1      ASP  69  59.996  -4.451 -13.520
  540    H    MET  70           HN       MET  70  57.993  -3.440 -13.703
  541    HA   MET  70           HA       MET  70  57.995  -1.872 -11.267
  542   1HB   MET  70           HB2      MET  70  58.558  -0.816 -13.386
  543   2HB   MET  70           HB1      MET  70  56.988  -1.253 -14.059
  544   1HG   MET  70           HG2      MET  70  56.930   0.266 -11.520
  545   2HG   MET  70           HG1      MET  70  57.489   1.156 -12.934
  546   1HE   MET  70           HE2      MET  70  54.856   1.344 -10.960
  547   2HE   MET  70           HE1      MET  70  53.367   0.697 -11.643
  548   3HE   MET  70           HE3      MET  70  54.606  -0.399 -11.014
  549    H    GLN  71           HN       GLN  71  55.285  -2.308 -13.577
  550    HA   GLN  71           HA       GLN  71  53.187  -1.464 -12.018
  551   1HB   GLN  71           HB2      GLN  71  52.842  -2.301 -14.285
  552   2HB   GLN  71           HB1      GLN  71  53.232  -3.941 -13.767
  553   1HG   GLN  71           HG2      GLN  71  50.847  -3.832 -13.809
  554   2HG   GLN  71           HG1      GLN  71  51.299  -3.725 -12.106
  555   1HE2  GLN  71           HE22     GLN  71  49.596  -0.500 -13.951
  556   2HE2  GLN  71           HE21     GLN  71  50.083  -1.846 -14.864
  557    H    LEU  72           HN       LEU  72  54.784  -4.659 -11.767
  558    HA   LEU  72           HA       LEU  72  53.147  -5.182  -9.313
  559   1HB   LEU  72           HB2      LEU  72  54.134  -6.836 -11.482
  560   2HB   LEU  72           HB1      LEU  72  54.650  -7.470  -9.921
  561    HG   LEU  72           HG       LEU  72  52.273  -7.255  -9.151
  562   1HD1  LEU  72           HD13     LEU  72  52.116  -6.092 -11.856
  563   2HD1  LEU  72           HD12     LEU  72  50.811  -7.206 -11.450
  564   3HD1  LEU  72           HD11     LEU  72  51.109  -5.789 -10.443
  565   1HD2  LEU  72           HD23     LEU  72  53.330  -9.097 -11.177
  566   2HD2  LEU  72           HD22     LEU  72  52.426  -9.453  -9.705
  567   3HD2  LEU  72           HD21     LEU  72  51.568  -9.008 -11.181
  568    H    GLY  73           HN       GLY  73  56.388  -6.250 -10.264
  569   1HA   GLY  73           HA2      GLY  73  57.601  -6.445  -7.817
  570   2HA   GLY  73           HA1      GLY  73  58.470  -5.872  -9.242
  571    H    ARG  74           HN       ARG  74  56.734  -3.544  -9.538
  572    HA   ARG  74           HA       ARG  74  57.289  -1.254  -9.047
  573   1HB   ARG  74           HB2      ARG  74  55.900  -0.598  -7.088
  574   2HB   ARG  74           HB1      ARG  74  55.051  -1.678  -8.193
  575   1HG   ARG  74           HG2      ARG  74  54.732  -3.154  -6.531
  576   2HG   ARG  74           HG1      ARG  74  56.473  -3.275  -6.285
  577   1HD   ARG  74           HD2      ARG  74  55.257  -2.525  -4.234
  578   2HD   ARG  74           HD1      ARG  74  56.441  -1.346  -4.797
  579    HE   ARG  74           HE       ARG  74  54.651   0.105  -5.417
  580   1HH1  ARG  74           HH21     ARG  74  52.501  -0.478  -6.660
  581   2HH1  ARG  74           HH22     ARG  74  51.312  -1.151  -5.596
  582   1HH2  ARG  74           HH12     ARG  74  53.586  -1.866  -3.077
  583   2HH2  ARG  74           HH11     ARG  74  51.926  -1.936  -3.567
   
  No H/Q in entry =         583
  Start of MODEL    5
    1    H    MET   1           HN       MET   1  54.862 -10.741  -9.969
    2    HA   MET   1           HA       MET   1  55.676 -10.313  -7.792
    3   1HB   MET   1           HB2      MET   1  57.513  -8.874  -9.669
    4   2HB   MET   1           HB1      MET   1  57.740  -8.742  -7.923
    5   1HG   MET   1           HG2      MET   1  59.059 -10.607  -8.442
    6   2HG   MET   1           HG1      MET   1  57.536 -11.354  -7.963
    7   1HE   MET   1           HE3      MET   1  58.518 -13.193  -8.772
    8   2HE   MET   1           HE2      MET   1  57.467 -13.831 -10.033
    9   3HE   MET   1           HE1      MET   1  59.162 -13.511 -10.388
   10    H    LEU   2           HN       LEU   2  53.509  -9.024  -7.578
   11    HA   LEU   2           HA       LEU   2  53.718  -6.132  -7.530
   12   1HB   LEU   2           HB2      LEU   2  51.565  -7.531  -7.701
   13   2HB   LEU   2           HB1      LEU   2  51.737  -7.795  -5.968
   14    HG   LEU   2           HG       LEU   2  51.972  -5.205  -5.831
   15   1HD1  LEU   2           HD12     LEU   2  51.142  -5.687  -8.646
   16   2HD1  LEU   2           HD11     LEU   2  50.315  -4.382  -7.797
   17   3HD1  LEU   2           HD13     LEU   2  52.070  -4.353  -7.959
   18   1HD2  LEU   2           HD21     LEU   2  49.873  -6.953  -5.494
   19   2HD2  LEU   2           HD23     LEU   2  49.822  -5.237  -5.086
   20   3HD2  LEU   2           HD22     LEU   2  49.198  -5.794  -6.640
   21    H    GLN   3           HN       GLN   3  55.406  -8.234  -5.766
   22    HA   GLN   3           HA       GLN   3  56.113  -6.438  -3.694
   23   1HB   GLN   3           HB2      GLN   3  54.957  -7.308  -1.763
   24   2HB   GLN   3           HB1      GLN   3  53.732  -6.946  -2.978
   25   1HG   GLN   3           HG2      GLN   3  54.663  -9.610  -3.430
   26   2HG   GLN   3           HG1      GLN   3  54.258  -9.449  -1.720
   27   1HE2  GLN   3           HE22     GLN   3  50.827  -9.707  -2.417
   28   2HE2  GLN   3           HE21     GLN   3  52.118 -10.032  -1.363
   29    H    LYS   4           HN       LYS   4  57.775  -7.905  -5.161
   30    HA   LYS   4           HA       LYS   4  58.367 -10.414  -3.691
   31   1HB   LYS   4           HB2      LYS   4  58.514  -9.722  -6.392
   32   2HB   LYS   4           HB1      LYS   4  60.196  -9.761  -5.862
   33   1HG   LYS   4           HG2      LYS   4  58.230 -11.977  -5.243
   34   2HG   LYS   4           HG1      LYS   4  59.262 -11.985  -6.673
   35   1HD   LYS   4           HD2      LYS   4  60.690 -13.091  -5.261
   36   2HD   LYS   4           HD1      LYS   4  61.124 -11.446  -4.796
   37   1HE   LYS   4           HE2      LYS   4  60.601 -13.006  -2.861
   38   2HE   LYS   4           HE1      LYS   4  59.672 -11.508  -2.887
   39   1HZ   LYS   4           HZ3      LYS   4  58.483 -13.686  -4.365
   40   2HZ   LYS   4           HZ2      LYS   4  58.603 -13.963  -2.693
   41   3HZ   LYS   4           HZ1      LYS   4  57.773 -12.598  -3.273
   42    H    LYS   5           HN       LYS   5  60.174  -7.511  -4.819
   43    HA   LYS   5           HA       LYS   5  62.377  -8.154  -3.026
   44   1HB   LYS   5           HB2      LYS   5  63.546  -6.633  -4.267
   45   2HB   LYS   5           HB1      LYS   5  62.183  -6.781  -5.373
   46   1HG   LYS   5           HG2      LYS   5  61.107  -4.843  -4.401
   47   2HG   LYS   5           HG1      LYS   5  62.355  -4.722  -3.169
   48   1HD   LYS   5           HD2      LYS   5  62.676  -4.311  -6.149
   49   2HD   LYS   5           HD1      LYS   5  62.912  -3.117  -4.871
   50   1HE   LYS   5           HE2      LYS   5  65.105  -3.707  -5.061
   51   2HE   LYS   5           HE1      LYS   5  64.626  -5.078  -4.060
   52   1HZ   LYS   5           HZ1      LYS   5  64.078  -6.236  -6.210
   53   2HZ   LYS   5           HZ3      LYS   5  64.892  -4.980  -7.008
   54   3HZ   LYS   5           HZ2      LYS   5  65.730  -5.973  -5.913
   55    H    ILE   6           HN       ILE   6  59.448  -6.392  -2.846
   56    HA   ILE   6           HA       ILE   6  60.389  -4.795  -0.534
   57    HB   ILE   6           HB       ILE   6  57.608  -4.761  -1.680
   58   1HG1  ILE   6           HG12     ILE   6  59.525  -4.596  -3.454
   59   2HG1  ILE   6           HG11     ILE   6  58.267  -3.350  -3.452
   60   1HG2  ILE   6           HG21     ILE   6  59.282  -3.120   0.111
   61   2HG2  ILE   6           HG23     ILE   6  58.381  -2.199  -1.091
   62   3HG2  ILE   6           HG22     ILE   6  57.528  -3.262   0.028
   63   1HD1  ILE   6           HD11     ILE   6  60.962  -3.102  -2.082
   64   2HD1  ILE   6           HD13     ILE   6  60.537  -2.365  -3.628
   65   3HD1  ILE   6           HD12     ILE   6  59.716  -1.855  -2.152
   66    H    GLU   7           HN       GLU   7  58.227  -7.469  -1.336
   67    HA   GLU   7           HA       GLU   7  57.051  -7.586   1.332
   68   1HB   GLU   7           HB2      GLU   7  55.978  -8.543  -0.760
   69   2HB   GLU   7           HB1      GLU   7  57.213  -9.802  -0.732
   70   1HG   GLU   7           HG2      GLU   7  55.731 -10.928   0.566
   71   2HG   GLU   7           HG1      GLU   7  56.320  -9.874   1.853
   72    H    GLU   8           HN       GLU   8  59.885  -8.736  -0.281
   73    HA   GLU   8           HA       GLU   8  60.564 -10.796   1.646
   74   1HB   GLU   8           HB2      GLU   8  62.653 -10.938   0.464
   75   2HB   GLU   8           HB1      GLU   8  61.412 -10.640  -0.755
   76   1HG   GLU   8           HG2      GLU   8  61.941  -8.221  -0.714
   77   2HG   GLU   8           HG1      GLU   8  63.188  -8.532   0.509
   78    H    ILE   9           HN       ILE   9  61.592  -7.427   1.079
   79    HA   ILE   9           HA       ILE   9  63.380  -7.356   3.335
   80    HB   ILE   9           HB       ILE   9  63.223  -5.780   1.250
   81   1HG1  ILE   9           HG12     ILE   9  64.930  -5.473   2.919
   82   2HG1  ILE   9           HG11     ILE   9  64.190  -3.898   2.638
   83   1HG2  ILE   9           HG22     ILE   9  60.812  -5.176   1.885
   84   2HG2  ILE   9           HG21     ILE   9  61.517  -4.187   3.163
   85   3HG2  ILE   9           HG23     ILE   9  61.884  -3.836   1.474
   86   1HD1  ILE   9           HD12     ILE   9  62.616  -4.530   4.605
   87   2HD1  ILE   9           HD11     ILE   9  63.831  -5.751   4.985
   88   3HD1  ILE   9           HD13     ILE   9  64.268  -4.043   4.986
   89    H    ALA  10           HN       ALA  10  59.976  -6.738   2.842
   90    HA   ALA  10           HA       ALA  10  59.441  -5.477   5.367
   91   1HB   ALA  10           HB2      ALA  10  57.964  -6.297   3.091
   92   2HB   ALA  10           HB1      ALA  10  57.231  -7.089   4.485
   93   3HB   ALA  10           HB3      ALA  10  57.391  -5.333   4.453
   94    H    ALA  11           HN       ALA  11  59.246  -8.846   4.241
   95    HA   ALA  11           HA       ALA  11  58.430  -9.915   6.781
   96   1HB   ALA  11           HB2      ALA  11  59.398 -11.000   4.194
   97   2HB   ALA  11           HB1      ALA  11  59.654 -12.024   5.607
   98   3HB   ALA  11           HB3      ALA  11  58.024 -11.500   5.183
   99    H    LYS  12           HN       LYS  12  61.565  -9.107   5.366
  100    HA   LYS  12           HA       LYS  12  62.953 -10.542   7.542
  101   1HB   LYS  12           HB2      LYS  12  64.965 -10.072   6.438
  102   2HB   LYS  12           HB1      LYS  12  63.820 -10.203   5.105
  103   1HG   LYS  12           HG2      LYS  12  64.503  -8.156   4.469
  104   2HG   LYS  12           HG1      LYS  12  63.659  -7.525   5.884
  105   1HD   LYS  12           HD2      LYS  12  65.792  -6.704   6.279
  106   2HD   LYS  12           HD1      LYS  12  65.902  -8.254   7.111
  107   1HE   LYS  12           HE2      LYS  12  67.358  -9.111   5.589
  108   2HE   LYS  12           HE1      LYS  12  66.527  -8.359   4.227
  109   1HZ   LYS  12           HZ3      LYS  12  67.500  -6.206   5.374
  110   2HZ   LYS  12           HZ2      LYS  12  68.671  -7.314   5.909
  111   3HZ   LYS  12           HZ1      LYS  12  68.392  -7.102   4.245
  112    H    TYR  13           HN       TYR  13  61.196  -8.689   8.587
  113    HA   TYR  13           HA       TYR  13  63.006  -6.509   9.527
  114   1HB   TYR  13           HB2      TYR  13  60.053  -6.646   9.052
  115   2HB   TYR  13           HB1      TYR  13  60.650  -5.595  10.332
  116    HD1  TYR  13           HD1      TYR  13  63.215  -4.650   9.310
  117    HD2  TYR  13           HD2      TYR  13  59.501  -5.257   7.240
  118    HE1  TYR  13           HE1      TYR  13  63.886  -2.968   7.618
  119    HE2  TYR  13           HE2      TYR  13  60.172  -3.578   5.548
  120    HH   TYR  13           HH       TYR  13  63.348  -1.962   5.715
  121    H    LYS  14           HN       LYS  14  63.388  -6.353  11.711
  122    HA   LYS  14           HA       LYS  14  62.581  -8.640  13.371
  123   1HB   LYS  14           HB2      LYS  14  64.889  -7.302  13.287
  124   2HB   LYS  14           HB1      LYS  14  64.076  -6.306  14.494
  125   1HG   LYS  14           HG2      LYS  14  65.216  -8.012  15.719
  126   2HG   LYS  14           HG1      LYS  14  63.514  -8.478  15.713
  127   1HD   LYS  14           HD2      LYS  14  64.348  -9.678  13.423
  128   2HD   LYS  14           HD1      LYS  14  65.829  -9.763  14.380
  129   1HE   LYS  14           HE2      LYS  14  64.449 -10.720  16.267
  130   2HE   LYS  14           HE1      LYS  14  63.093 -10.816  15.143
  131   1HZ   LYS  14           HZ1      LYS  14  65.725 -12.027  14.542
  132   2HZ   LYS  14           HZ3      LYS  14  64.521 -12.871  15.389
  133   3HZ   LYS  14           HZ2      LYS  14  64.228 -12.340  13.801
  134    H    HIS  15           HN       HIS  15  60.349  -7.137  12.659
  135    HA   HIS  15           HA       HIS  15  59.180  -6.561  15.204
  136   1HB   HIS  15           HB2      HIS  15  60.675  -4.407  14.041
  137   2HB   HIS  15           HB1      HIS  15  58.963  -3.994  13.982
  138    HD1  HIS  15           HD1      HIS  15  61.053  -2.661  15.964
  139    HD2  HIS  15           HD2      HIS  15  58.415  -5.737  16.946
  140    HE1  HIS  15           HE1      HIS  15  60.746  -2.566  18.476
  141    H    SER  16           HN       SER  16  57.229  -7.418  14.687
  142    HA   SER  16           HA       SER  16  56.053  -7.758  12.209
  143   1HB   SER  16           HB2      SER  16  54.875  -7.305  14.928
  144   2HB   SER  16           HB1      SER  16  53.810  -7.450  13.534
  145    HG   SER  16           HG       SER  16  55.143  -9.412  13.078
  146    H    VAL  17           HN       VAL  17  55.765  -4.752  14.171
  147    HA   VAL  17           HA       VAL  17  53.878  -3.466  12.483
  148    HB   VAL  17           HB       VAL  17  56.030  -2.229  14.222
  149   1HG1  VAL  17           HG13     VAL  17  53.789  -1.146  12.605
  150   2HG1  VAL  17           HG12     VAL  17  53.943  -0.498  14.238
  151   3HG1  VAL  17           HG11     VAL  17  55.291  -0.371  13.108
  152   1HG2  VAL  17           HG22     VAL  17  53.773  -3.807  14.893
  153   2HG2  VAL  17           HG21     VAL  17  54.776  -2.854  15.989
  154   3HG2  VAL  17           HG23     VAL  17  53.338  -2.137  15.262
  155    H    VAL  18           HN       VAL  18  57.410  -3.666  12.274
  156    HA   VAL  18           HA       VAL  18  57.831  -1.595  10.378
  157    HB   VAL  18           HB       VAL  18  59.292  -4.232  10.273
  158   1HG1  VAL  18           HG11     VAL  18  59.749  -2.285   8.683
  159   2HG1  VAL  18           HG13     VAL  18  60.356  -1.422  10.096
  160   3HG1  VAL  18           HG12     VAL  18  61.135  -2.914   9.574
  161   1HG2  VAL  18           HG23     VAL  18  58.913  -2.742  12.624
  162   2HG2  VAL  18           HG22     VAL  18  60.132  -3.982  12.333
  163   3HG2  VAL  18           HG21     VAL  18  60.512  -2.291  12.038
  164    H    LYS  19           HN       LYS  19  56.231  -4.639  10.103
  165    HA   LYS  19           HA       LYS  19  56.602  -5.084   7.294
  166   1HB   LYS  19           HB2      LYS  19  54.614  -5.988   9.341
  167   2HB   LYS  19           HB1      LYS  19  54.210  -6.207   7.640
  168   1HG   LYS  19           HG2      LYS  19  56.761  -7.104   7.614
  169   2HG   LYS  19           HG1      LYS  19  56.316  -7.525   9.268
  170   1HD   LYS  19           HD2      LYS  19  54.444  -8.186   7.012
  171   2HD   LYS  19           HD1      LYS  19  55.826  -9.233   7.338
  172   1HE   LYS  19           HE2      LYS  19  54.920  -8.982   9.848
  173   2HE   LYS  19           HE1      LYS  19  53.399  -8.725   8.993
  174   1HZ   LYS  19           HZ3      LYS  19  53.903 -10.794   7.732
  175   2HZ   LYS  19           HZ2      LYS  19  55.208 -11.065   8.786
  176   3HZ   LYS  19           HZ1      LYS  19  53.619 -11.038   9.386
  177    H    LYS  20           HN       LYS  20  53.882  -3.546   9.061
  178    HA   LYS  20           HA       LYS  20  52.450  -2.685   6.767
  179   1HB   LYS  20           HB2      LYS  20  51.353  -2.544   8.882
  180   2HB   LYS  20           HB1      LYS  20  52.642  -1.552   9.559
  181   1HG   LYS  20           HG2      LYS  20  51.528   0.295   8.914
  182   2HG   LYS  20           HG1      LYS  20  51.697  -0.206   7.229
  183   1HD   LYS  20           HD2      LYS  20  49.318   0.122   7.861
  184   2HD   LYS  20           HD1      LYS  20  49.651  -1.548   7.401
  185   1HE   LYS  20           HE2      LYS  20  48.819  -2.197   9.389
  186   2HE   LYS  20           HE1      LYS  20  50.190  -1.402  10.163
  187   1HZ   LYS  20           HZ1      LYS  20  48.840   0.705   9.966
  188   2HZ   LYS  20           HZ3      LYS  20  47.510  -0.282   9.598
  189   3HZ   LYS  20           HZ2      LYS  20  48.291  -0.437  11.099
  190    H    CYS  21           HN       CYS  21  54.955  -1.042   8.680
  191    HA   CYS  21           HA       CYS  21  55.018   1.437   7.379
  192   1HB   CYS  21           HB2      CYS  21  57.262  -0.233   8.538
  193   2HB   CYS  21           HB1      CYS  21  57.478   1.431   8.005
  194    H    CYS  22           HN       CYS  22  56.879  -1.495   6.510
  195    HA   CYS  22           HA       CYS  22  57.941  -0.319   4.088
  196   1HB   CYS  22           HB2      CYS  22  59.172  -2.145   4.978
  197   2HB   CYS  22           HB1      CYS  22  57.732  -3.148   5.135
  198    H    TYR  23           HN       TYR  23  54.961  -1.802   4.991
  199    HA   TYR  23           HA       TYR  23  54.090  -2.755   2.451
  200   1HB   TYR  23           HB2      TYR  23  52.970  -2.358   5.046
  201   2HB   TYR  23           HB1      TYR  23  51.855  -1.721   3.850
  202    HD1  TYR  23           HD2      TYR  23  51.654  -3.227   1.645
  203    HD2  TYR  23           HD1      TYR  23  52.826  -4.579   5.539
  204    HE1  TYR  23           HE2      TYR  23  50.998  -5.540   1.031
  205    HE2  TYR  23           HE1      TYR  23  52.180  -6.860   4.929
  206    HH   TYR  23           HH       TYR  23  51.380  -7.786   1.684
  207    H    ASP  24           HN       ASP  24  53.393   0.334   4.118
  208    HA   ASP  24           HA       ASP  24  52.173   1.551   1.810
  209   1HB   ASP  24           HB2      ASP  24  53.569   3.169   3.918
  210   2HB   ASP  24           HB1      ASP  24  52.043   3.492   3.102
  211    H    GLY  25           HN       GLY  25  55.441   1.730   3.230
  212   1HA   GLY  25           HA2      GLY  25  56.706   3.549   1.587
  213   2HA   GLY  25           HA1      GLY  25  57.496   2.048   2.091
  214    H    ALA  26           HN       ALA  26  56.300   0.081   0.763
  215    HA   ALA  26           HA       ALA  26  57.153   0.379  -1.963
  216   1HB   ALA  26           HB1      ALA  26  56.530  -1.747  -0.329
  217   2HB   ALA  26           HB3      ALA  26  55.170  -1.736  -1.450
  218   3HB   ALA  26           HB2      ALA  26  56.817  -1.865  -2.064
  219    H    CYS  27           HN       CYS  27  53.984   0.581  -0.379
  220    HA   CYS  27           HA       CYS  27  52.596   0.940  -2.946
  221   1HB   CYS  27           HB2      CYS  27  51.655   1.150  -0.070
  222   2HB   CYS  27           HB1      CYS  27  50.601   1.330  -1.472
  223    HG   CYS  27           HG       CYS  27  51.147  -1.161  -2.123
  224    H    VAL  28           HN       VAL  28  54.667   2.864  -1.520
  225    HA   VAL  28           HA       VAL  28  53.941   5.279  -0.706
  226    HB   VAL  28           HB       VAL  28  56.178   5.041  -1.451
  227   1HG1  VAL  28           HG11     VAL  28  54.890   4.283  -4.056
  228   2HG1  VAL  28           HG13     VAL  28  56.554   4.868  -4.032
  229   3HG1  VAL  28           HG12     VAL  28  56.117   3.418  -3.128
  230   1HG2  VAL  28           HG21     VAL  28  54.713   7.266  -2.157
  231   2HG2  VAL  28           HG23     VAL  28  56.470   7.147  -2.267
  232   3HG2  VAL  28           HG22     VAL  28  55.474   6.828  -3.687
  233    H    ASN  29           HN       ASN  29  52.367   6.746  -1.154
  234    HA   ASN  29           HA       ASN  29  50.616   6.438  -3.428
  235   1HB   ASN  29           HB2      ASN  29  50.923   8.707  -1.438
  236   2HB   ASN  29           HB1      ASN  29  49.614   8.581  -2.614
  237   1HD2  ASN  29           HD22     ASN  29  48.743   6.951   0.749
  238   2HD2  ASN  29           HD21     ASN  29  49.491   8.437   0.410
  239    H    ASN  30           HN       ASN  30  51.830   9.656  -2.743
  240    HA   ASN  30           HA       ASN  30  52.053  10.524  -5.364
  241   1HB   ASN  30           HB2      ASN  30  52.362  12.011  -3.425
  242   2HB   ASN  30           HB1      ASN  30  53.909  11.241  -3.073
  243   1HD2  ASN  30           HD22     ASN  30  53.897  13.159  -6.696
  244   2HD2  ASN  30           HD21     ASN  30  52.676  12.036  -6.336
  245    H    ASP  31           HN       ASP  31  53.684  10.468  -6.964
  246    HA   ASP  31           HA       ASP  31  55.201   8.139  -7.283
  247   1HB   ASP  31           HB2      ASP  31  54.828   9.660  -9.145
  248   2HB   ASP  31           HB1      ASP  31  55.762  10.925  -8.344
  249    H    GLU  32           HN       GLU  32  56.021  11.091  -5.551
  250    HA   GLU  32           HA       GLU  32  58.591   9.793  -4.737
  251   1HB   GLU  32           HB2      GLU  32  57.955  12.757  -4.919
  252   2HB   GLU  32           HB1      GLU  32  59.499  12.060  -4.424
  253   1HG   GLU  32           HG2      GLU  32  60.134  11.778  -6.565
  254   2HG   GLU  32           HG1      GLU  32  58.635  10.933  -6.950
  255    H    THR  33           HN       THR  33  58.679  12.224  -2.784
  256    HA   THR  33           HA       THR  33  58.491  11.691  -0.348
  257    HB   THR  33           HB       THR  33  56.374  13.254   0.051
  258    HG1  THR  33           HG1      THR  33  56.556  14.632  -2.021
  259   1HG2  THR  33           HG22     THR  33  59.133  13.850  -0.944
  260   2HG2  THR  33           HG21     THR  33  57.998  15.185  -0.747
  261   3HG2  THR  33           HG23     THR  33  58.418  14.174   0.636
  262    H    CYS  34           HN       CYS  34  57.833   9.330  -0.544
  263    HA   CYS  34           HA       CYS  34  55.184   8.414  -0.732
  264   1HB   CYS  34           HB2      CYS  34  56.077   6.744   1.205
  265   2HB   CYS  34           HB1      CYS  34  56.478   6.556  -0.494
  266    H    GLU  35           HN       GLU  35  56.498   8.175   2.527
  267    HA   GLU  35           HA       GLU  35  53.980   8.757   3.747
  268   1HB   GLU  35           HB2      GLU  35  56.786   8.843   4.867
  269   2HB   GLU  35           HB1      GLU  35  55.344   8.986   5.861
  270   1HG   GLU  35           HG2      GLU  35  55.694   6.669   3.970
  271   2HG   GLU  35           HG1      GLU  35  56.370   6.632   5.599
  272    H    GLN  36           HN       GLN  36  56.754  10.800   2.924
  273    HA   GLN  36           HA       GLN  36  56.087  13.159   4.313
  274   1HB   GLN  36           HB2      GLN  36  57.483  12.521   1.771
  275   2HB   GLN  36           HB1      GLN  36  56.832  14.157   1.876
  276   1HG   GLN  36           HG2      GLN  36  58.096  13.438   4.372
  277   2HG   GLN  36           HG1      GLN  36  59.219  13.198   3.035
  278   1HE2  GLN  36           HE22     GLN  36  59.665  16.650   2.465
  279   2HE2  GLN  36           HE21     GLN  36  60.110  15.064   2.055
  280    H    ARG  37           HN       ARG  37  54.693  11.612   1.531
  281    HA   ARG  37           HA       ARG  37  52.777  13.765   0.984
  282   1HB   ARG  37           HB2      ARG  37  53.483  12.373  -0.892
  283   2HB   ARG  37           HB1      ARG  37  52.999  10.911  -0.034
  284   1HG   ARG  37           HG2      ARG  37  51.195  11.358  -1.509
  285   2HG   ARG  37           HG1      ARG  37  50.645  11.950   0.060
  286   1HD   ARG  37           HD2      ARG  37  51.654  14.224  -0.685
  287   2HD   ARG  37           HD1      ARG  37  51.622  13.537  -2.309
  288    HE   ARG  37           HE       ARG  37  49.172  13.849  -0.619
  289   1HH1  ARG  37           HH12     ARG  37  50.735  15.072  -3.297
  290   2HH1  ARG  37           HH11     ARG  37  49.409  14.877  -4.394
  291   1HH2  ARG  37           HH21     ARG  37  47.496  13.027  -2.170
  292   2HH2  ARG  37           HH22     ARG  37  47.576  13.719  -3.756
  293    H    ALA  38           HN       ALA  38  52.912  10.627   2.609
  294    HA   ALA  38           HA       ALA  38  50.266  10.085   3.225
  295   1HB   ALA  38           HB3      ALA  38  52.591  10.046   5.185
  296   2HB   ALA  38           HB2      ALA  38  51.064   9.191   5.399
  297   3HB   ALA  38           HB1      ALA  38  52.156   8.731   4.093
  298    H    ALA  39           HN       ALA  39  52.329  11.995   5.378
  299    HA   ALA  39           HA       ALA  39  50.709  14.305   5.514
  300   1HB   ALA  39           HB3      ALA  39  49.816  12.034   7.232
  301   2HB   ALA  39           HB2      ALA  39  49.845  13.633   7.976
  302   3HB   ALA  39           HB1      ALA  39  48.871  13.349   6.533
  303    H    ARG  40           HN       ARG  40  52.438  11.985   7.504
  304    HA   ARG  40           HA       ARG  40  54.738  13.584   7.951
  305   1HB   ARG  40           HB2      ARG  40  52.467  14.265   9.633
  306   2HB   ARG  40           HB1      ARG  40  53.817  13.674  10.601
  307   1HG   ARG  40           HG2      ARG  40  55.176  15.285   8.927
  308   2HG   ARG  40           HG1      ARG  40  53.622  16.121   8.920
  309   1HD   ARG  40           HD2      ARG  40  54.237  15.368  11.618
  310   2HD   ARG  40           HD1      ARG  40  55.635  16.198  10.933
  311    HE   ARG  40           HE       ARG  40  54.008  18.058  10.324
  312   1HH1  ARG  40           HH21     ARG  40  51.397  17.244  10.916
  313   2HH1  ARG  40           HH22     ARG  40  51.147  17.615  12.589
  314   1HH2  ARG  40           HH12     ARG  40  54.530  17.907  13.300
  315   2HH2  ARG  40           HH11     ARG  40  52.923  17.990  13.940
  316    H    ILE  41           HN       ILE  41  56.118  11.843   8.161
  317    HA   ILE  41           HA       ILE  41  55.321   9.271   8.959
  318    HB   ILE  41           HB       ILE  41  57.559   9.815   7.915
  319   1HG1  ILE  41           HG12     ILE  41  58.700   8.015   9.155
  320   2HG1  ILE  41           HG11     ILE  41  57.510   8.167  10.448
  321   1HG2  ILE  41           HG22     ILE  41  57.860  11.572   9.958
  322   2HG2  ILE  41           HG21     ILE  41  58.720  10.180  10.616
  323   3HG2  ILE  41           HG23     ILE  41  59.218  10.876   9.074
  324   1HD1  ILE  41           HD11     ILE  41  56.551   7.773   7.633
  325   2HD1  ILE  41           HD13     ILE  41  57.138   6.380   8.541
  326   3HD1  ILE  41           HD12     ILE  41  55.773   7.319   9.148
  327    H    SER  42           HN       SER  42  54.001   9.249  10.702
  328    HA   SER  42           HA       SER  42  55.414   9.681  13.238
  329   1HB   SER  42           HB2      SER  42  53.780  11.021  14.191
  330   2HB   SER  42           HB1      SER  42  53.788  11.617  12.529
  331    HG   SER  42           HG       SER  42  51.847  10.843  12.280
  332    H    LEU  43           HN       LEU  43  55.177   7.276  12.123
  333    HA   LEU  43           HA       LEU  43  53.001   6.081  13.726
  334   1HB   LEU  43           HB2      LEU  43  54.379   4.948  11.271
  335   2HB   LEU  43           HB1      LEU  43  53.124   4.124  12.197
  336    HG   LEU  43           HG       LEU  43  52.442   6.869  11.334
  337   1HD1  LEU  43           HD12     LEU  43  53.014   4.632   9.395
  338   2HD1  LEU  43           HD11     LEU  43  51.788   5.847   9.034
  339   3HD1  LEU  43           HD13     LEU  43  53.465   6.333   9.279
  340   1HD2  LEU  43           HD23     LEU  43  51.113   4.688  12.356
  341   2HD2  LEU  43           HD22     LEU  43  50.333   6.035  11.526
  342   3HD2  LEU  43           HD21     LEU  43  50.737   4.567  10.637
  343    H    GLY  44           HN       GLY  44  56.287   6.604  13.538
  344   1HA   GLY  44           HA2      GLY  44  57.240   5.556  15.785
  345   2HA   GLY  44           HA1      GLY  44  56.996   4.053  14.897
  346    HA   PRO  45           HA       PRO  45  61.212   5.883  13.764
  347   1HB   PRO  45           HB2      PRO  45  62.716   4.051  15.092
  348   2HB   PRO  45           HB1      PRO  45  62.133   5.542  15.842
  349   1HG   PRO  45           HG2      PRO  45  61.209   2.762  16.238
  350   2HG   PRO  45           HG1      PRO  45  61.198   4.129  17.361
  351   1HD   PRO  45           HD2      PRO  45  59.001   3.152  15.941
  352   2HD   PRO  45           HD1      PRO  45  59.084   4.700  16.781
  353    H    ARG  46           HN       ARG  46  60.857   2.365  14.375
  354    HA   ARG  46           HA       ARG  46  62.307   1.384  12.231
  355   1HB   ARG  46           HB2      ARG  46  61.214  -0.646  12.547
  356   2HB   ARG  46           HB1      ARG  46  60.875   0.155  14.077
  357   1HG   ARG  46           HG2      ARG  46  59.002   0.207  11.691
  358   2HG   ARG  46           HG1      ARG  46  58.856  -0.923  13.034
  359   1HD   ARG  46           HD2      ARG  46  59.133   1.769  14.038
  360   2HD   ARG  46           HD1      ARG  46  57.802   1.689  12.887
  361    HE   ARG  46           HE       ARG  46  57.531  -0.540  14.597
  362   1HH1  ARG  46           HH21     ARG  46  55.950   2.215  14.052
  363   2HH1  ARG  46           HH22     ARG  46  55.571   2.606  15.696
  364   1HH2  ARG  46           HH12     ARG  46  57.733   0.250  17.036
  365   2HH2  ARG  46           HH11     ARG  46  56.581   1.496  17.384
  366    H    CYS  47           HN       CYS  47  59.216   2.980  12.166
  367    HA   CYS  47           HA       CYS  47  58.369   2.251   9.504
  368   1HB   CYS  47           HB2      CYS  47  57.390   3.807  11.621
  369   2HB   CYS  47           HB1      CYS  47  57.663   4.957  10.303
  370    H    ILE  48           HN       ILE  48  59.825   5.268  10.704
  371    HA   ILE  48           HA       ILE  48  60.149   6.689   8.421
  372    HB   ILE  48           HB       ILE  48  61.940   6.302  10.787
  373   1HG1  ILE  48           HG12     ILE  48  61.454   8.760  10.978
  374   2HG1  ILE  48           HG11     ILE  48  60.454   8.629   9.532
  375   1HG2  ILE  48           HG22     ILE  48  62.750   7.383   8.161
  376   2HG2  ILE  48           HG21     ILE  48  63.106   8.417   9.544
  377   3HG2  ILE  48           HG23     ILE  48  63.742   6.774   9.485
  378   1HD1  ILE  48           HD12     ILE  48  59.055   6.929  10.680
  379   2HD1  ILE  48           HD11     ILE  48  60.029   7.138  12.136
  380   3HD1  ILE  48           HD13     ILE  48  59.050   8.473  11.530
  381    H    LYS  49           HN       LYS  49  62.725   4.359   9.405
  382    HA   LYS  49           HA       LYS  49  63.839   4.429   6.711
  383   1HB   LYS  49           HB2      LYS  49  64.521   2.685   9.093
  384   2HB   LYS  49           HB1      LYS  49  65.464   2.792   7.607
  385   1HG   LYS  49           HG2      LYS  49  64.805   5.316   9.079
  386   2HG   LYS  49           HG1      LYS  49  66.096   4.286   9.695
  387   1HD   LYS  49           HD2      LYS  49  67.144   4.323   7.422
  388   2HD   LYS  49           HD1      LYS  49  65.908   5.473   6.913
  389   1HE   LYS  49           HE2      LYS  49  67.788   6.798   7.546
  390   2HE   LYS  49           HE1      LYS  49  66.648   6.925   8.885
  391   1HZ   LYS  49           HZ1      LYS  49  67.878   5.060   9.946
  392   2HZ   LYS  49           HZ3      LYS  49  69.047   5.188   8.725
  393   3HZ   LYS  49           HZ2      LYS  49  68.784   6.489   9.785
  394    H    ALA  50           HN       ALA  50  61.546   2.372   8.365
  395    HA   ALA  50           HA       ALA  50  61.990   0.083   6.664
  396   1HB   ALA  50           HB3      ALA  50  59.577   0.868   8.325
  397   2HB   ALA  50           HB2      ALA  50  59.794  -0.698   7.542
  398   3HB   ALA  50           HB1      ALA  50  60.885  -0.199   8.833
  399    H    PHE  51           HN       PHE  51  59.267   2.339   6.878
  400    HA   PHE  51           HA       PHE  51  58.233   1.675   4.350
  401   1HB   PHE  51           HB2      PHE  51  56.633   3.254   4.765
  402   2HB   PHE  51           HB1      PHE  51  57.248   3.105   6.401
  403    HD1  PHE  51           HD2      PHE  51  57.677   5.089   3.237
  404    HD2  PHE  51           HD1      PHE  51  58.142   4.983   7.487
  405    HE1  PHE  51           HE2      PHE  51  58.313   7.491   3.245
  406    HE2  PHE  51           HE1      PHE  51  58.767   7.363   7.491
  407    HZ   PHE  51           HZ       PHE  51  58.851   8.620   5.387
  408    H    THR  52           HN       THR  52  60.311   4.392   5.388
  409    HA   THR  52           HA       THR  52  60.446   5.630   2.862
  410    HB   THR  52           HB       THR  52  62.617   5.467   4.971
  411    HG1  THR  52           HG1      THR  52  61.631   7.755   5.114
  412   1HG2  THR  52           HG22     THR  52  62.738   6.451   2.331
  413   2HG2  THR  52           HG21     THR  52  62.589   7.868   3.371
  414   3HG2  THR  52           HG23     THR  52  63.905   6.721   3.625
  415    H    GLU  53           HN       GLU  53  62.380   2.995   4.203
  416    HA   GLU  53           HA       GLU  53  64.219   2.725   2.048
  417   1HB   GLU  53           HB2      GLU  53  64.710   1.709   4.164
  418   2HB   GLU  53           HB1      GLU  53  63.221   0.772   4.092
  419   1HG   GLU  53           HG2      GLU  53  65.190  -0.603   3.469
  420   2HG   GLU  53           HG1      GLU  53  64.047  -0.449   2.133
  421    H    CYS  54           HN       CYS  54  61.106   1.124   2.691
  422    HA   CYS  54           HA       CYS  54  61.282  -0.552   0.328
  423   1HB   CYS  54           HB2      CYS  54  59.156   0.087   2.345
  424   2HB   CYS  54           HB1      CYS  54  58.720  -0.746   0.850
  425    H    CYS  55           HN       CYS  55  60.153   2.634   1.042
  426    HA   CYS  55           HA       CYS  55  58.612   2.865  -1.438
  427   1HB   CYS  55           HB2      CYS  55  57.618   4.444  -0.163
  428   2HB   CYS  55           HB1      CYS  55  58.889   4.326   1.043
  429    H    VAL  56           HN       VAL  56  61.862   3.403  -0.321
  430    HA   VAL  56           HA       VAL  56  62.590   5.105  -2.604
  431    HB   VAL  56           HB       VAL  56  64.341   3.618  -0.609
  432   1HG1  VAL  56           HG12     VAL  56  65.182   4.498  -2.968
  433   2HG1  VAL  56           HG11     VAL  56  65.204   6.047  -2.125
  434   3HG1  VAL  56           HG13     VAL  56  66.168   4.699  -1.520
  435   1HG2  VAL  56           HG21     VAL  56  62.628   5.740  -0.106
  436   2HG2  VAL  56           HG23     VAL  56  64.043   5.316   0.857
  437   3HG2  VAL  56           HG22     VAL  56  64.172   6.537  -0.409
  438    H    VAL  57           HN       VAL  57  63.128   1.751  -1.570
  439    HA   VAL  57           HA       VAL  57  64.549   0.983  -3.941
  440    HB   VAL  57           HB       VAL  57  63.937  -1.319  -3.249
  441   1HG1  VAL  57           HG13     VAL  57  65.783   0.008  -2.114
  442   2HG1  VAL  57           HG12     VAL  57  64.629   0.371  -0.830
  443   3HG1  VAL  57           HG11     VAL  57  65.112  -1.298  -1.137
  444   1HG2  VAL  57           HG22     VAL  57  62.216   0.148  -1.227
  445   2HG2  VAL  57           HG21     VAL  57  61.648  -0.915  -2.514
  446   3HG2  VAL  57           HG23     VAL  57  62.567  -1.579  -1.163
  447    H    ALA  58           HN       ALA  58  61.206   0.968  -2.847
  448    HA   ALA  58           HA       ALA  58  60.042  -0.080  -5.241
  449   1HB   ALA  58           HB3      ALA  58  58.962   1.835  -3.149
  450   2HB   ALA  58           HB2      ALA  58  57.979   1.098  -4.413
  451   3HB   ALA  58           HB1      ALA  58  58.732   0.088  -3.179
  452    H    SER  59           HN       SER  59  61.271   2.979  -4.188
  453    HA   SER  59           HA       SER  59  60.117   4.705  -6.129
  454   1HB   SER  59           HB2      SER  59  61.535   5.237  -4.032
  455   2HB   SER  59           HB1      SER  59  62.907   5.089  -5.121
  456    HG   SER  59           HG       SER  59  60.769   6.919  -5.144
  457    H    GLN  60           HN       GLN  60  63.091   2.799  -6.126
  458    HA   GLN  60           HA       GLN  60  63.936   3.652  -8.767
  459   1HB   GLN  60           HB2      GLN  60  64.986   2.110  -6.609
  460   2HB   GLN  60           HB1      GLN  60  65.036   1.122  -8.071
  461   1HG   GLN  60           HG2      GLN  60  66.396   2.659  -9.215
  462   2HG   GLN  60           HG1      GLN  60  65.938   3.988  -8.146
  463   1HE2  GLN  60           HE22     GLN  60  68.156   2.843  -5.488
  464   2HE2  GLN  60           HE21     GLN  60  66.593   3.474  -5.694
  465    H    LEU  61           HN       LEU  61  61.966   1.097  -7.451
  466    HA   LEU  61           HA       LEU  61  61.959  -0.590  -9.788
  467   1HB   LEU  61           HB2      LEU  61  60.111  -0.268  -7.418
  468   2HB   LEU  61           HB1      LEU  61  59.839  -1.479  -8.662
  469    HG   LEU  61           HG       LEU  61  62.153  -1.245  -6.772
  470   1HD1  LEU  61           HD13     LEU  61  59.753  -2.794  -6.885
  471   2HD1  LEU  61           HD12     LEU  61  61.125  -3.883  -7.082
  472   3HD1  LEU  61           HD11     LEU  61  61.023  -2.840  -5.663
  473   1HD2  LEU  61           HD22     LEU  61  61.924  -2.731  -9.382
  474   2HD2  LEU  61           HD21     LEU  61  63.266  -1.752  -8.791
  475   3HD2  LEU  61           HD23     LEU  61  62.958  -3.339  -8.088
  476    H    ARG  62           HN       ARG  62  60.139   2.189  -8.665
  477    HA   ARG  62           HA       ARG  62  58.331   2.007 -10.987
  478   1HB   ARG  62           HB2      ARG  62  57.123   3.877  -9.935
  479   2HB   ARG  62           HB1      ARG  62  57.358   2.561  -8.783
  480   1HG   ARG  62           HG2      ARG  62  59.295   3.713  -7.826
  481   2HG   ARG  62           HG1      ARG  62  59.132   5.011  -9.005
  482   1HD   ARG  62           HD2      ARG  62  58.121   5.681  -6.872
  483   2HD   ARG  62           HD1      ARG  62  56.876   5.522  -8.110
  484    HE   ARG  62           HE       ARG  62  57.235   3.745  -5.779
  485   1HH1  ARG  62           HH21     ARG  62  56.520   1.563  -7.023
  486   2HH1  ARG  62           HH22     ARG  62  54.884   1.702  -7.577
  487   1HH2  ARG  62           HH12     ARG  62  54.798   5.155  -7.276
  488   2HH2  ARG  62           HH11     ARG  62  53.910   3.736  -7.721
  489    H    ALA  63           HN       ALA  63  61.256   3.595 -10.075
  490    HA   ALA  63           HA       ALA  63  60.833   5.724 -12.106
  491   1HB   ALA  63           HB2      ALA  63  62.970   5.321  -9.995
  492   2HB   ALA  63           HB1      ALA  63  62.995   6.628 -11.179
  493   3HB   ALA  63           HB3      ALA  63  61.693   6.536  -9.993
  494    H    ASN  64           HN       ASN  64  61.962   2.613 -11.996
  495    HA   ASN  64           HA       ASN  64  64.008   3.157 -14.110
  496   1HB   ASN  64           HB2      ASN  64  64.630   1.935 -11.874
  497   2HB   ASN  64           HB1      ASN  64  63.828   0.552 -12.618
  498   1HD2  ASN  64           HD22     ASN  64  67.073  -0.076 -13.978
  499   2HD2  ASN  64           HD21     ASN  64  65.980  -0.526 -12.759
  500    H    ILE  65           HN       ILE  65  61.512   0.794 -13.111
  501    HA   ILE  65           HA       ILE  65  61.277  -0.024 -15.964
  502    HB   ILE  65           HB       ILE  65  59.700  -1.378 -13.822
  503   1HG1  ILE  65           HG12     ILE  65  62.084  -2.770 -13.787
  504   2HG1  ILE  65           HG11     ILE  65  62.631  -1.093 -13.793
  505   1HG2  ILE  65           HG21     ILE  65  60.210  -1.830 -16.487
  506   2HG2  ILE  65           HG23     ILE  65  61.377  -2.898 -15.707
  507   3HG2  ILE  65           HG22     ILE  65  59.657  -3.058 -15.349
  508   1HD1  ILE  65           HD12     ILE  65  60.366  -1.524 -11.994
  509   2HD1  ILE  65           HD11     ILE  65  61.767  -2.505 -11.561
  510   3HD1  ILE  65           HD13     ILE  65  61.919  -0.751 -11.675
  511    H    SER  66           HN       SER  66  58.576  -0.972 -15.714
  512    HA   SER  66           HA       SER  66  56.736   0.985 -14.793
  513   1HB   SER  66           HB2      SER  66  58.091   1.628 -17.301
  514   2HB   SER  66           HB1      SER  66  56.342   1.550 -17.491
  515    HG   SER  66           HG       SER  66  57.696   3.529 -16.522
  516    H    HIS  67           HN       HIS  67  57.060  -1.916 -15.154
  517    HA   HIS  67           HA       HIS  67  54.398  -2.462 -16.261
  518   1HB   HIS  67           HB2      HIS  67  56.333  -2.587 -18.097
  519   2HB   HIS  67           HB1      HIS  67  56.570  -4.182 -17.380
  520    HD1  HIS  67           HD1      HIS  67  53.216  -3.900 -16.754
  521    HD2  HIS  67           HD2      HIS  67  55.289  -4.262 -20.353
  522    HE1  HIS  67           HE1      HIS  67  51.558  -4.793 -18.447
  523    H    LYS  68           HN       LYS  68  55.370  -5.386 -16.499
  524    HA   LYS  68           HA       LYS  68  54.464  -6.495 -14.181
  525   1HB   LYS  68           HB2      LYS  68  56.208  -7.347 -16.278
  526   2HB   LYS  68           HB1      LYS  68  56.891  -7.896 -14.748
  527   1HG   LYS  68           HG2      LYS  68  55.345  -9.587 -15.580
  528   2HG   LYS  68           HG1      LYS  68  54.659  -8.839 -14.138
  529   1HD   LYS  68           HD2      LYS  68  52.931  -7.922 -15.290
  530   2HD   LYS  68           HD1      LYS  68  53.963  -7.461 -16.644
  531   1HE   LYS  68           HE2      LYS  68  53.612 -10.367 -16.373
  532   2HE   LYS  68           HE1      LYS  68  52.110  -9.501 -16.700
  533   1HZ   LYS  68           HZ3      LYS  68  54.570  -8.977 -18.253
  534   2HZ   LYS  68           HZ2      LYS  68  53.499 -10.226 -18.680
  535   3HZ   LYS  68           HZ1      LYS  68  52.965  -8.613 -18.662
  536    H    ASP  69           HN       ASP  69  57.842  -5.419 -14.596
  537    HA   ASP  69           HA       ASP  69  58.630  -5.939 -11.914
  538   1HB   ASP  69           HB2      ASP  69  59.957  -5.202 -14.190
  539   2HB   ASP  69           HB1      ASP  69  59.942  -3.679 -13.300
  540    H    MET  70           HN       MET  70  57.759  -2.884 -13.567
  541    HA   MET  70           HA       MET  70  57.637  -1.375 -11.101
  542   1HB   MET  70           HB2      MET  70  58.006  -0.410 -13.409
  543   2HB   MET  70           HB1      MET  70  56.304  -0.714 -13.743
  544   1HG   MET  70           HG2      MET  70  56.977   0.754 -11.239
  545   2HG   MET  70           HG1      MET  70  57.133   1.626 -12.762
  546   1HE   MET  70           HE3      MET  70  55.856   2.672 -13.741
  547   2HE   MET  70           HE2      MET  70  54.298   2.141 -14.366
  548   3HE   MET  70           HE1      MET  70  54.358   3.262 -13.009
  549    H    GLN  71           HN       GLN  71  54.898  -1.884 -13.345
  550    HA   GLN  71           HA       GLN  71  52.781  -1.390 -11.696
  551   1HB   GLN  71           HB2      GLN  71  52.528  -2.141 -14.033
  552   2HB   GLN  71           HB1      GLN  71  52.975  -3.779 -13.555
  553   1HG   GLN  71           HG2      GLN  71  51.030  -3.771 -11.959
  554   2HG   GLN  71           HG1      GLN  71  50.541  -2.221 -12.647
  555   1HE2  GLN  71           HE22     GLN  71  50.298  -4.111 -15.967
  556   2HE2  GLN  71           HE21     GLN  71  51.467  -3.020 -15.397
  557    H    LEU  72           HN       LEU  72  54.689  -4.421 -11.670
  558    HA   LEU  72           HA       LEU  72  53.137  -5.273  -9.260
  559   1HB   LEU  72           HB2      LEU  72  54.271  -6.659 -11.515
  560   2HB   LEU  72           HB1      LEU  72  54.974  -7.288 -10.024
  561    HG   LEU  72           HG       LEU  72  52.703  -7.603  -9.121
  562   1HD1  LEU  72           HD11     LEU  72  51.867  -5.657 -10.612
  563   2HD1  LEU  72           HD13     LEU  72  51.674  -6.892 -11.856
  564   3HD1  LEU  72           HD12     LEU  72  50.778  -7.019 -10.343
  565   1HD2  LEU  72           HD23     LEU  72  53.785  -8.945 -11.474
  566   2HD2  LEU  72           HD22     LEU  72  52.984  -9.643 -10.068
  567   3HD2  LEU  72           HD21     LEU  72  52.026  -9.049 -11.423
  568    H    GLY  73           HN       GLY  73  56.486  -5.890 -10.213
  569   1HA   GLY  73           HA2      GLY  73  57.740  -6.096  -7.818
  570   2HA   GLY  73           HA1      GLY  73  58.500  -5.247  -9.164
  571    H    ARG  74           HN       ARG  74  56.844  -3.032  -9.364
  572    HA   ARG  74           HA       ARG  74  57.165  -0.807  -8.500
  573   1HB   ARG  74           HB2      ARG  74  55.385  -0.432  -6.822
  574   2HB   ARG  74           HB1      ARG  74  54.826  -1.442  -8.154
  575   1HG   ARG  74           HG2      ARG  74  54.196  -2.977  -6.632
  576   2HG   ARG  74           HG1      ARG  74  55.899  -3.234  -6.261
  577   1HD   ARG  74           HD2      ARG  74  55.860  -1.621  -4.498
  578   2HD   ARG  74           HD1      ARG  74  54.289  -1.002  -5.008
  579    HE   ARG  74           HE       ARG  74  54.757  -3.474  -3.473
  580   1HH1  ARG  74           HH21     ARG  74  52.683  -2.111  -5.811
  581   2HH1  ARG  74           HH22     ARG  74  51.222  -2.545  -4.988
  582   1HH2  ARG  74           HH12     ARG  74  52.851  -3.780  -2.187
  583   2HH2  ARG  74           HH11     ARG  74  51.318  -3.491  -2.938
   
  No H/Q in entry =         583
  Start of MODEL    6
    1    H    MET   1           HN       MET   1  54.603 -10.852 -10.466
    2    HA   MET   1           HA       MET   1  54.835 -10.601  -8.126
    3   1HB   MET   1           HB2      MET   1  57.329  -9.063  -8.704
    4   2HB   MET   1           HB1      MET   1  57.037 -10.325  -7.507
    5   1HG   MET   1           HG2      MET   1  57.977 -11.780  -8.949
    6   2HG   MET   1           HG1      MET   1  56.546 -11.574  -9.959
    7   1HE   MET   1           HE3      MET   1  60.051 -11.430  -9.488
    8   2HE   MET   1           HE2      MET   1  59.708 -12.248 -11.011
    9   3HE   MET   1           HE1      MET   1  60.710 -10.799 -11.004
   10    H    LEU   2           HN       LEU   2  53.024  -9.079  -7.981
   11    HA   LEU   2           HA       LEU   2  53.450  -6.233  -8.072
   12   1HB   LEU   2           HB2      LEU   2  51.221  -7.552  -8.167
   13   2HB   LEU   2           HB1      LEU   2  51.335  -7.585  -6.408
   14    HG   LEU   2           HG       LEU   2  51.741  -5.017  -6.626
   15   1HD1  LEU   2           HD13     LEU   2  51.112  -5.835  -9.369
   16   2HD1  LEU   2           HD12     LEU   2  50.066  -4.540  -8.783
   17   3HD1  LEU   2           HD11     LEU   2  51.818  -4.328  -8.782
   18   1HD2  LEU   2           HD21     LEU   2  49.691  -6.239  -5.722
   19   2HD2  LEU   2           HD23     LEU   2  49.386  -4.629  -6.376
   20   3HD2  LEU   2           HD22     LEU   2  48.985  -6.059  -7.327
   21    H    GLN   3           HN       GLN   3  54.892  -8.362  -6.036
   22    HA   GLN   3           HA       GLN   3  55.701  -6.389  -4.149
   23   1HB   GLN   3           HB2      GLN   3  54.393  -6.858  -2.210
   24   2HB   GLN   3           HB1      GLN   3  53.233  -6.669  -3.521
   25   1HG   GLN   3           HG2      GLN   3  53.798  -9.343  -3.691
   26   2HG   GLN   3           HG1      GLN   3  53.908  -9.070  -1.952
   27   1HE2  GLN   3           HE22     GLN   3  50.363  -9.642  -2.166
   28   2HE2  GLN   3           HE21     GLN   3  51.843 -10.420  -1.877
   29    H    LYS   4           HN       LYS   4  57.075  -8.327  -5.519
   30    HA   LYS   4           HA       LYS   4  57.636 -10.427  -3.469
   31   1HB   LYS   4           HB2      LYS   4  57.001 -11.120  -5.814
   32   2HB   LYS   4           HB1      LYS   4  58.496 -10.372  -6.364
   33   1HG   LYS   4           HG2      LYS   4  58.581 -12.886  -5.932
   34   2HG   LYS   4           HG1      LYS   4  59.833 -11.907  -5.178
   35   1HD   LYS   4           HD2      LYS   4  57.352 -12.294  -3.595
   36   2HD   LYS   4           HD1      LYS   4  58.363 -13.722  -3.812
   37   1HE   LYS   4           HE2      LYS   4  60.335 -12.267  -3.089
   38   2HE   LYS   4           HE1      LYS   4  59.137 -11.076  -2.583
   39   1HZ   LYS   4           HZ3      LYS   4  58.680 -13.800  -1.691
   40   2HZ   LYS   4           HZ2      LYS   4  60.024 -13.018  -1.006
   41   3HZ   LYS   4           HZ1      LYS   4  58.475 -12.337  -0.858
   42    H    LYS   5           HN       LYS   5  58.767  -7.470  -4.032
   43    HA   LYS   5           HA       LYS   5  61.564  -8.264  -3.492
   44   1HB   LYS   5           HB2      LYS   5  61.675  -7.394  -5.692
   45   2HB   LYS   5           HB1      LYS   5  60.459  -6.160  -5.357
   46   1HG   LYS   5           HG2      LYS   5  62.020  -4.720  -4.640
   47   2HG   LYS   5           HG1      LYS   5  62.661  -5.927  -3.540
   48   1HD   LYS   5           HD2      LYS   5  63.701  -6.956  -5.734
   49   2HD   LYS   5           HD1      LYS   5  63.491  -5.318  -6.355
   50   1HE   LYS   5           HE2      LYS   5  64.744  -5.636  -3.661
   51   2HE   LYS   5           HE1      LYS   5  65.719  -6.038  -5.075
   52   1HZ   LYS   5           HZ1      LYS   5  64.240  -3.485  -4.772
   53   2HZ   LYS   5           HZ3      LYS   5  65.870  -3.680  -4.346
   54   3HZ   LYS   5           HZ2      LYS   5  65.385  -3.879  -5.963
   55    H    ILE   6           HN       ILE   6  58.859  -6.093  -2.923
   56    HA   ILE   6           HA       ILE   6  60.386  -4.696  -0.794
   57    HB   ILE   6           HB       ILE   6  57.547  -4.062  -1.550
   58   1HG1  ILE   6           HG12     ILE   6  59.103  -4.336  -3.606
   59   2HG1  ILE   6           HG11     ILE   6  58.211  -2.819  -3.453
   60   1HG2  ILE   6           HG23     ILE   6  59.911  -2.658  -0.338
   61   2HG2  ILE   6           HG22     ILE   6  58.660  -1.711  -1.143
   62   3HG2  ILE   6           HG21     ILE   6  58.244  -2.730   0.236
   63   1HD1  ILE   6           HD11     ILE   6  60.836  -2.855  -2.096
   64   2HD1  ILE   6           HD13     ILE   6  60.911  -2.977  -3.853
   65   3HD1  ILE   6           HD12     ILE   6  60.104  -1.603  -3.099
   66    H    GLU   7           HN       GLU   7  57.763  -6.959  -1.353
   67    HA   GLU   7           HA       GLU   7  56.793  -6.868   1.403
   68   1HB   GLU   7           HB2      GLU   7  55.375  -7.628  -0.534
   69   2HB   GLU   7           HB1      GLU   7  56.421  -9.040  -0.685
   70   1HG   GLU   7           HG2      GLU   7  54.915  -9.998   0.728
   71   2HG   GLU   7           HG1      GLU   7  55.834  -9.145   1.969
   72    H    GLU   8           HN       GLU   8  59.319  -8.405  -0.380
   73    HA   GLU   8           HA       GLU   8  59.771 -10.589   1.481
   74   1HB   GLU   8           HB2      GLU   8  61.802 -10.973   0.214
   75   2HB   GLU   8           HB1      GLU   8  60.523 -10.566  -0.931
   76   1HG   GLU   8           HG2      GLU   8  61.306  -8.231  -1.011
   77   2HG   GLU   8           HG1      GLU   8  62.566  -8.618   0.176
   78    H    ILE   9           HN       ILE   9  61.263  -7.388   0.927
   79    HA   ILE   9           HA       ILE   9  63.115  -7.652   3.124
   80    HB   ILE   9           HB       ILE   9  63.220  -6.028   1.099
   81   1HG1  ILE   9           HG12     ILE   9  64.840  -6.018   2.951
   82   2HG1  ILE   9           HG11     ILE   9  64.467  -4.367   2.452
   83   1HG2  ILE   9           HG23     ILE   9  60.866  -5.141   1.752
   84   2HG2  ILE   9           HG22     ILE   9  61.729  -4.192   2.962
   85   3HG2  ILE   9           HG21     ILE   9  62.089  -3.974   1.250
   86   1HD1  ILE   9           HD13     ILE   9  62.564  -4.654   4.315
   87   2HD1  ILE   9           HD12     ILE   9  63.738  -5.800   4.964
   88   3HD1  ILE   9           HD11     ILE   9  64.192  -4.114   4.724
   89    H    ALA  10           HN       ALA  10  59.859  -6.444   2.715
   90    HA   ALA  10           HA       ALA  10  59.544  -5.178   5.261
   91   1HB   ALA  10           HB3      ALA  10  57.947  -5.669   3.019
   92   2HB   ALA  10           HB2      ALA  10  57.159  -6.563   4.319
   93   3HB   ALA  10           HB1      ALA  10  57.446  -4.830   4.488
   94    H    ALA  11           HN       ALA  11  58.950  -8.484   4.117
   95    HA   ALA  11           HA       ALA  11  58.064  -9.468   6.679
   96   1HB   ALA  11           HB1      ALA  11  59.173 -10.914   4.256
   97   2HB   ALA  11           HB3      ALA  11  58.457 -11.715   5.655
   98   3HB   ALA  11           HB2      ALA  11  57.470 -10.662   4.641
   99    H    LYS  12           HN       LYS  12  61.216  -9.022   5.154
  100    HA   LYS  12           HA       LYS  12  62.493 -10.689   7.229
  101   1HB   LYS  12           HB2      LYS  12  64.470 -10.513   6.023
  102   2HB   LYS  12           HB1      LYS  12  63.278 -10.329   4.740
  103   1HG   LYS  12           HG2      LYS  12  64.316  -8.399   4.220
  104   2HG   LYS  12           HG1      LYS  12  63.637  -7.732   5.705
  105   1HD   LYS  12           HD2      LYS  12  65.945  -7.342   5.957
  106   2HD   LYS  12           HD1      LYS  12  65.706  -8.843   6.852
  107   1HE   LYS  12           HE2      LYS  12  66.316 -10.098   4.751
  108   2HE   LYS  12           HE1      LYS  12  66.754  -8.551   4.026
  109   1HZ   LYS  12           HZ1      LYS  12  67.896  -9.559   6.570
  110   2HZ   LYS  12           HZ3      LYS  12  68.634  -9.775   5.059
  111   3HZ   LYS  12           HZ2      LYS  12  68.407  -8.208   5.676
  112    H    TYR  13           HN       TYR  13  61.022  -8.639   8.373
  113    HA   TYR  13           HA       TYR  13  63.130  -6.748   9.313
  114   1HB   TYR  13           HB2      TYR  13  60.154  -6.523   9.021
  115   2HB   TYR  13           HB1      TYR  13  60.974  -5.574  10.257
  116    HD1  TYR  13           HD1      TYR  13  63.530  -4.908   9.096
  117    HD2  TYR  13           HD2      TYR  13  59.672  -5.083   7.218
  118    HE1  TYR  13           HE1      TYR  13  64.295  -3.293   7.378
  119    HE2  TYR  13           HE2      TYR  13  60.438  -3.468   5.499
  120    HH   TYR  13           HH       TYR  13  62.065  -2.003   4.949
  121    H    LYS  14           HN       LYS  14  63.573  -6.679  11.503
  122    HA   LYS  14           HA       LYS  14  62.609  -8.940  13.117
  123   1HB   LYS  14           HB2      LYS  14  64.766  -6.890  13.340
  124   2HB   LYS  14           HB1      LYS  14  64.148  -7.575  14.844
  125   1HG   LYS  14           HG2      LYS  14  64.847  -9.733  14.309
  126   2HG   LYS  14           HG1      LYS  14  64.851  -9.410  12.575
  127   1HD   LYS  14           HD2      LYS  14  67.057  -8.994  12.702
  128   2HD   LYS  14           HD1      LYS  14  66.696  -7.595  13.715
  129   1HE   LYS  14           HE2      LYS  14  66.801  -8.960  15.725
  130   2HE   LYS  14           HE1      LYS  14  66.998 -10.424  14.762
  131   1HZ   LYS  14           HZ2      LYS  14  68.895  -8.232  14.355
  132   2HZ   LYS  14           HZ1      LYS  14  69.052  -9.169  15.763
  133   3HZ   LYS  14           HZ3      LYS  14  69.136  -9.910  14.240
  134    H    HIS  15           HN       HIS  15  60.522  -7.162  12.482
  135    HA   HIS  15           HA       HIS  15  59.514  -6.539  15.112
  136   1HB   HIS  15           HB2      HIS  15  61.080  -4.520  13.837
  137   2HB   HIS  15           HB1      HIS  15  59.397  -3.996  13.814
  138    HD1  HIS  15           HD1      HIS  15  62.283  -4.004  15.956
  139    HD2  HIS  15           HD2      HIS  15  58.175  -4.349  16.580
  140    HE1  HIS  15           HE1      HIS  15  61.884  -3.484  18.403
  141    H    SER  16           HN       SER  16  57.545  -7.437  14.628
  142    HA   SER  16           HA       SER  16  56.180  -7.682  12.269
  143   1HB   SER  16           HB2      SER  16  55.227  -8.550  14.300
  144   2HB   SER  16           HB1      SER  16  55.040  -6.932  14.970
  145    HG   SER  16           HG       SER  16  53.400  -8.318  13.342
  146    H    VAL  17           HN       VAL  17  56.121  -4.678  14.250
  147    HA   VAL  17           HA       VAL  17  54.271  -3.257  12.638
  148    HB   VAL  17           HB       VAL  17  56.577  -2.211  14.303
  149   1HG1  VAL  17           HG12     VAL  17  54.663  -0.893  12.558
  150   2HG1  VAL  17           HG11     VAL  17  54.468  -0.360  14.229
  151   3HG1  VAL  17           HG13     VAL  17  56.032  -0.204  13.430
  152   1HG2  VAL  17           HG22     VAL  17  54.281  -3.588  15.080
  153   2HG2  VAL  17           HG21     VAL  17  55.261  -2.551  16.115
  154   3HG2  VAL  17           HG23     VAL  17  53.844  -1.893  15.298
  155    H    VAL  18           HN       VAL  18  57.832  -3.466  12.386
  156    HA   VAL  18           HA       VAL  18  58.215  -1.515  10.389
  157    HB   VAL  18           HB       VAL  18  59.639  -4.187  10.444
  158   1HG1  VAL  18           HG13     VAL  18  59.970  -2.383   8.596
  159   2HG1  VAL  18           HG12     VAL  18  60.802  -1.480   9.861
  160   3HG1  VAL  18           HG11     VAL  18  61.401  -3.061   9.372
  161   1HG2  VAL  18           HG22     VAL  18  59.393  -2.597  12.645
  162   2HG2  VAL  18           HG21     VAL  18  60.805  -3.593  12.306
  163   3HG2  VAL  18           HG23     VAL  18  60.810  -1.884  11.880
  164    H    LYS  19           HN       LYS  19  56.602  -4.563  10.234
  165    HA   LYS  19           HA       LYS  19  56.856  -5.074   7.424
  166   1HB   LYS  19           HB2      LYS  19  55.902  -6.594   9.313
  167   2HB   LYS  19           HB1      LYS  19  54.382  -5.752   9.008
  168   1HG   LYS  19           HG2      LYS  19  54.657  -6.342   6.562
  169   2HG   LYS  19           HG1      LYS  19  56.010  -7.371   7.034
  170   1HD   LYS  19           HD2      LYS  19  54.045  -8.132   8.814
  171   2HD   LYS  19           HD1      LYS  19  53.125  -7.826   7.340
  172   1HE   LYS  19           HE2      LYS  19  55.297  -9.182   6.357
  173   2HE   LYS  19           HE1      LYS  19  55.075  -9.956   7.926
  174   1HZ   LYS  19           HZ2      LYS  19  52.954  -9.570   5.883
  175   2HZ   LYS  19           HZ1      LYS  19  53.765 -11.030   6.194
  176   3HZ   LYS  19           HZ3      LYS  19  52.766 -10.348   7.382
  177    H    LYS  20           HN       LYS  20  54.134  -3.594   9.241
  178    HA   LYS  20           HA       LYS  20  52.649  -2.754   6.987
  179   1HB   LYS  20           HB2      LYS  20  51.656  -2.624   9.178
  180   2HB   LYS  20           HB1      LYS  20  52.912  -1.520   9.736
  181   1HG   LYS  20           HG2      LYS  20  51.516   0.159   9.141
  182   2HG   LYS  20           HG1      LYS  20  51.893  -0.253   7.467
  183   1HD   LYS  20           HD2      LYS  20  49.489  -0.270   7.704
  184   2HD   LYS  20           HD1      LYS  20  50.023  -1.944   7.550
  185   1HE   LYS  20           HE2      LYS  20  48.655  -2.171   9.393
  186   2HE   LYS  20           HE1      LYS  20  50.159  -1.747  10.212
  187   1HZ   LYS  20           HZ3      LYS  20  49.144   0.665   9.616
  188   2HZ   LYS  20           HZ2      LYS  20  47.727  -0.222   9.917
  189   3HZ   LYS  20           HZ1      LYS  20  48.936  -0.120  11.105
  190    H    CYS  21           HN       CYS  21  55.207  -1.075   8.792
  191    HA   CYS  21           HA       CYS  21  55.188   1.399   7.472
  192   1HB   CYS  21           HB2      CYS  21  57.506  -0.216   8.564
  193   2HB   CYS  21           HB1      CYS  21  57.651   1.458   8.030
  194    H    CYS  22           HN       CYS  22  57.120  -1.484   6.577
  195    HA   CYS  22           HA       CYS  22  58.041  -0.291   4.111
  196   1HB   CYS  22           HB2      CYS  22  59.411  -2.034   4.912
  197   2HB   CYS  22           HB1      CYS  22  58.038  -3.084   5.250
  198    H    TYR  23           HN       TYR  23  55.128  -1.789   5.137
  199    HA   TYR  23           HA       TYR  23  54.221  -2.845   2.637
  200   1HB   TYR  23           HB2      TYR  23  53.151  -2.418   5.259
  201   2HB   TYR  23           HB1      TYR  23  51.988  -1.864   4.068
  202    HD1  TYR  23           HD2      TYR  23  51.721  -3.435   1.946
  203    HD2  TYR  23           HD1      TYR  23  53.179  -4.641   5.792
  204    HE1  TYR  23           HE2      TYR  23  51.144  -5.791   1.419
  205    HE2  TYR  23           HE1      TYR  23  52.612  -6.962   5.266
  206    HH   TYR  23           HH       TYR  23  50.650  -8.032   3.382
  207    H    ASP  24           HN       ASP  24  53.507   0.262   4.266
  208    HA   ASP  24           HA       ASP  24  52.198   1.394   1.952
  209   1HB   ASP  24           HB2      ASP  24  53.555   3.084   4.035
  210   2HB   ASP  24           HB1      ASP  24  52.027   3.366   3.203
  211    H    GLY  25           HN       GLY  25  55.471   1.736   3.338
  212   1HA   GLY  25           HA2      GLY  25  56.636   3.559   1.632
  213   2HA   GLY  25           HA1      GLY  25  57.497   2.114   2.181
  214    H    ALA  26           HN       ALA  26  56.394   0.048   0.929
  215    HA   ALA  26           HA       ALA  26  57.228   0.283  -1.803
  216   1HB   ALA  26           HB3      ALA  26  56.667  -1.811  -0.110
  217   2HB   ALA  26           HB2      ALA  26  55.301  -1.868  -1.224
  218   3HB   ALA  26           HB1      ALA  26  56.949  -1.973  -1.843
  219    H    CYS  27           HN       CYS  27  54.033   0.401  -0.246
  220    HA   CYS  27           HA       CYS  27  52.676   0.681  -2.841
  221   1HB   CYS  27           HB2      CYS  27  51.521   1.071  -0.067
  222   2HB   CYS  27           HB1      CYS  27  50.633   0.758  -1.558
  223    HG   CYS  27           HG       CYS  27  51.392  -1.416   0.134
  224    H    VAL  28           HN       VAL  28  54.630   2.713  -1.434
  225    HA   VAL  28           HA       VAL  28  53.767   5.098  -0.634
  226    HB   VAL  28           HB       VAL  28  56.022   4.989  -1.356
  227   1HG1  VAL  28           HG11     VAL  28  54.807   3.790  -3.735
  228   2HG1  VAL  28           HG13     VAL  28  56.092   4.933  -4.128
  229   3HG1  VAL  28           HG12     VAL  28  56.423   3.566  -3.065
  230   1HG2  VAL  28           HG22     VAL  28  54.645   7.176  -1.871
  231   2HG2  VAL  28           HG21     VAL  28  56.292   7.021  -2.481
  232   3HG2  VAL  28           HG23     VAL  28  54.925   6.725  -3.553
  233    H    ASN  29           HN       ASN  29  52.481   6.821  -1.306
  234    HA   ASN  29           HA       ASN  29  50.321   6.382  -3.056
  235   1HB   ASN  29           HB2      ASN  29  51.276   8.522  -1.455
  236   2HB   ASN  29           HB1      ASN  29  50.987   9.180  -3.067
  237   1HD2  ASN  29           HD22     ASN  29  47.687   9.448  -1.543
  238   2HD2  ASN  29           HD21     ASN  29  49.174  10.266  -1.574
  239    H    ASN  30           HN       ASN  30  50.141   8.401  -4.903
  240    HA   ASN  30           HA       ASN  30  52.015   7.453  -6.974
  241   1HB   ASN  30           HB2      ASN  30  50.558   8.531  -8.546
  242   2HB   ASN  30           HB1      ASN  30  49.516   7.751  -7.355
  243   1HD2  ASN  30           HD22     ASN  30  48.276  10.815  -6.036
  244   2HD2  ASN  30           HD21     ASN  30  48.401   9.140  -5.792
  245    H    ASP  31           HN       ASP  31  53.130   9.087  -4.854
  246    HA   ASP  31           HA       ASP  31  54.260  11.228  -6.552
  247   1HB   ASP  31           HB2      ASP  31  53.830  12.993  -5.001
  248   2HB   ASP  31           HB1      ASP  31  52.291  12.156  -5.206
  249    H    GLU  32           HN       GLU  32  56.364  11.863  -5.859
  250    HA   GLU  32           HA       GLU  32  58.077   9.964  -4.829
  251   1HB   GLU  32           HB2      GLU  32  58.229  12.968  -4.464
  252   2HB   GLU  32           HB1      GLU  32  59.566  11.866  -4.138
  253   1HG   GLU  32           HG2      GLU  32  59.979  11.502  -6.353
  254   2HG   GLU  32           HG1      GLU  32  58.268  11.544  -6.782
  255    H    THR  33           HN       THR  33  57.537  12.746  -2.704
  256    HA   THR  33           HA       THR  33  58.140  11.591  -0.288
  257    HB   THR  33           HB       THR  33  56.071  13.121   0.531
  258    HG1  THR  33           HG1      THR  33  56.167  14.861  -1.171
  259   1HG2  THR  33           HG23     THR  33  58.524  13.457   0.915
  260   2HG2  THR  33           HG22     THR  33  58.622  14.236  -0.665
  261   3HG2  THR  33           HG21     THR  33  57.653  14.961   0.618
  262    H    CYS  34           HN       CYS  34  57.512   9.418  -0.150
  263    HA   CYS  34           HA       CYS  34  54.830   8.469  -0.515
  264   1HB   CYS  34           HB2      CYS  34  55.840   6.750   1.399
  265   2HB   CYS  34           HB1      CYS  34  55.997   6.535  -0.334
  266    H    GLU  35           HN       GLU  35  56.195   8.043   2.696
  267    HA   GLU  35           HA       GLU  35  53.732   8.652   4.004
  268   1HB   GLU  35           HB2      GLU  35  56.574   8.660   5.038
  269   2HB   GLU  35           HB1      GLU  35  55.173   8.843   6.082
  270   1HG   GLU  35           HG2      GLU  35  55.145   6.556   4.179
  271   2HG   GLU  35           HG1      GLU  35  56.238   6.442   5.560
  272    H    GLN  36           HN       GLN  36  56.518  10.641   3.115
  273    HA   GLN  36           HA       GLN  36  55.924  12.998   4.549
  274   1HB   GLN  36           HB2      GLN  36  57.269  12.381   1.961
  275   2HB   GLN  36           HB1      GLN  36  56.704  14.040   2.165
  276   1HG   GLN  36           HG2      GLN  36  57.842  13.708   4.570
  277   2HG   GLN  36           HG1      GLN  36  58.823  12.564   3.655
  278   1HE2  GLN  36           HE22     GLN  36  58.936  16.502   2.441
  279   2HE2  GLN  36           HE21     GLN  36  57.484  15.875   3.056
  280    H    ARG  37           HN       ARG  37  54.572  11.638   1.590
  281    HA   ARG  37           HA       ARG  37  52.718  13.812   1.104
  282   1HB   ARG  37           HB2      ARG  37  53.186  12.366  -0.754
  283   2HB   ARG  37           HB1      ARG  37  52.817  10.923   0.190
  284   1HG   ARG  37           HG2      ARG  37  50.981  11.626  -1.399
  285   2HG   ARG  37           HG1      ARG  37  50.476  11.497   0.286
  286   1HD   ARG  37           HD2      ARG  37  50.738  13.924   0.568
  287   2HD   ARG  37           HD1      ARG  37  51.286  14.069  -1.102
  288    HE   ARG  37           HE       ARG  37  49.029  13.584  -1.840
  289   1HH1  ARG  37           HH21     ARG  37  48.615  11.920   0.816
  290   2HH1  ARG  37           HH22     ARG  37  47.313  12.829   1.507
  291   1HH2  ARG  37           HH12     ARG  37  47.713  15.533  -0.627
  292   2HH2  ARG  37           HH11     ARG  37  46.804  14.876   0.693
  293    H    ALA  38           HN       ALA  38  52.669  10.736   2.858
  294    HA   ALA  38           HA       ALA  38  50.004  10.439   3.568
  295   1HB   ALA  38           HB3      ALA  38  51.984   9.057   4.407
  296   2HB   ALA  38           HB2      ALA  38  52.247  10.321   5.606
  297   3HB   ALA  38           HB1      ALA  38  50.747   9.399   5.614
  298    H    ALA  39           HN       ALA  39  52.300  12.243   5.574
  299    HA   ALA  39           HA       ALA  39  50.876  14.684   5.693
  300   1HB   ALA  39           HB3      ALA  39  49.996  12.591   7.672
  301   2HB   ALA  39           HB2      ALA  39  49.992  14.293   8.134
  302   3HB   ALA  39           HB1      ALA  39  49.012  13.746   6.773
  303    H    ARG  40           HN       ARG  40  52.556  12.289   7.625
  304    HA   ARG  40           HA       ARG  40  54.967  13.748   7.933
  305   1HB   ARG  40           HB2      ARG  40  52.879  14.692   9.643
  306   2HB   ARG  40           HB1      ARG  40  54.047  13.827  10.641
  307   1HG   ARG  40           HG2      ARG  40  55.878  15.160   9.632
  308   2HG   ARG  40           HG1      ARG  40  54.688  16.053   8.684
  309   1HD   ARG  40           HD2      ARG  40  53.869  16.055  11.437
  310   2HD   ARG  40           HD1      ARG  40  55.547  16.587  11.341
  311    HE   ARG  40           HE       ARG  40  53.343  18.188  10.607
  312   1HH1  ARG  40           HH12     ARG  40  56.627  18.118  10.347
  313   2HH1  ARG  40           HH11     ARG  40  56.736  19.017   8.871
  314   1HH2  ARG  40           HH21     ARG  40  53.331  18.885   8.229
  315   2HH2  ARG  40           HH22     ARG  40  54.871  19.449   7.670
  316    H    ILE  41           HN       ILE  41  56.304  11.986   8.161
  317    HA   ILE  41           HA       ILE  41  55.384   9.438   8.949
  318    HB   ILE  41           HB       ILE  41  57.591   9.867   7.801
  319   1HG1  ILE  41           HG12     ILE  41  58.711   8.016   9.020
  320   2HG1  ILE  41           HG11     ILE  41  57.534   8.199  10.320
  321   1HG2  ILE  41           HG21     ILE  41  58.094  11.595   9.828
  322   2HG2  ILE  41           HG23     ILE  41  58.902  10.153  10.443
  323   3HG2  ILE  41           HG22     ILE  41  59.364  10.822   8.878
  324   1HD1  ILE  41           HD13     ILE  41  56.616   7.822   7.475
  325   2HD1  ILE  41           HD12     ILE  41  57.034   6.430   8.475
  326   3HD1  ILE  41           HD11     ILE  41  55.732   7.513   8.969
  327    H    SER  42           HN       SER  42  54.123   9.538  10.743
  328    HA   SER  42           HA       SER  42  55.671   9.787  13.223
  329   1HB   SER  42           HB2      SER  42  54.254  11.297  14.247
  330   2HB   SER  42           HB1      SER  42  54.200  11.886  12.585
  331    HG   SER  42           HG       SER  42  52.158  11.420  12.594
  332    H    LEU  43           HN       LEU  43  55.111   7.450  12.051
  333    HA   LEU  43           HA       LEU  43  52.904   6.454  13.746
  334   1HB   LEU  43           HB2      LEU  43  54.027   5.298  11.175
  335   2HB   LEU  43           HB1      LEU  43  52.821   4.489  12.177
  336    HG   LEU  43           HG       LEU  43  51.895   7.140  11.771
  337   1HD1  LEU  43           HD11     LEU  43  53.514   7.156   9.845
  338   2HD1  LEU  43           HD13     LEU  43  52.645   5.780   9.167
  339   3HD1  LEU  43           HD12     LEU  43  51.828   7.332   9.354
  340   1HD2  LEU  43           HD23     LEU  43  50.570   5.035  12.067
  341   2HD2  LEU  43           HD22     LEU  43  50.034   5.993  10.685
  342   3HD2  LEU  43           HD21     LEU  43  51.028   4.558  10.432
  343    H    GLY  44           HN       GLY  44  56.212   6.647  13.407
  344   1HA   GLY  44           HA2      GLY  44  57.016   5.323  15.646
  345   2HA   GLY  44           HA1      GLY  44  56.833   3.987  14.509
  346    HA   PRO  45           HA       PRO  45  61.027   6.159  13.860
  347   1HB   PRO  45           HB2      PRO  45  62.583   4.448  15.281
  348   2HB   PRO  45           HB1      PRO  45  61.822   5.871  16.001
  349   1HG   PRO  45           HG2      PRO  45  61.113   3.016  16.303
  350   2HG   PRO  45           HG1      PRO  45  60.911   4.359  17.437
  351   1HD   PRO  45           HD2      PRO  45  58.904   3.230  15.859
  352   2HD   PRO  45           HD1      PRO  45  58.801   4.768  16.716
  353    H    ARG  46           HN       ARG  46  61.000   2.627  14.464
  354    HA   ARG  46           HA       ARG  46  62.600   1.781  12.369
  355   1HB   ARG  46           HB2      ARG  46  61.669  -0.346  12.646
  356   2HB   ARG  46           HB1      ARG  46  61.239   0.421  14.172
  357   1HG   ARG  46           HG2      ARG  46  59.402   0.350  11.759
  358   2HG   ARG  46           HG1      ARG  46  59.342  -0.822  13.068
  359   1HD   ARG  46           HD2      ARG  46  59.360   1.879  14.117
  360   2HD   ARG  46           HD1      ARG  46  58.028   1.652  12.987
  361    HE   ARG  46           HE       ARG  46  57.578  -0.484  14.436
  362   1HH1  ARG  46           HH21     ARG  46  59.323  -0.341  16.618
  363   2HH1  ARG  46           HH22     ARG  46  58.576   0.729  17.757
  364   1HH2  ARG  46           HH12     ARG  46  56.418   2.127  15.428
  365   2HH2  ARG  46           HH11     ARG  46  56.930   2.128  17.083
  366    H    CYS  47           HN       CYS  47  59.367   3.048  12.230
  367    HA   CYS  47           HA       CYS  47  58.590   2.266   9.585
  368   1HB   CYS  47           HB2      CYS  47  57.558   3.842  11.661
  369   2HB   CYS  47           HB1      CYS  47  57.798   4.974  10.324
  370    H    ILE  48           HN       ILE  48  59.942   5.349  10.721
  371    HA   ILE  48           HA       ILE  48  60.206   6.802   8.469
  372    HB   ILE  48           HB       ILE  48  62.080   6.366  10.766
  373   1HG1  ILE  48           HG12     ILE  48  61.556   8.723  11.174
  374   2HG1  ILE  48           HG11     ILE  48  60.694   8.819   9.638
  375   1HG2  ILE  48           HG21     ILE  48  62.688   7.970   8.280
  376   2HG2  ILE  48           HG23     ILE  48  63.494   8.238   9.825
  377   3HG2  ILE  48           HG22     ILE  48  63.665   6.689   8.998
  378   1HD1  ILE  48           HD13     ILE  48  59.165   6.996  10.489
  379   2HD1  ILE  48           HD12     ILE  48  59.945   7.167  12.059
  380   3HD1  ILE  48           HD11     ILE  48  59.048   8.518  11.370
  381    H    LYS  49           HN       LYS  49  62.883   4.555   9.336
  382    HA   LYS  49           HA       LYS  49  63.848   4.638   6.580
  383   1HB   LYS  49           HB2      LYS  49  65.517   4.559   8.290
  384   2HB   LYS  49           HB1      LYS  49  64.770   3.151   9.044
  385   1HG   LYS  49           HG2      LYS  49  65.509   1.697   7.380
  386   2HG   LYS  49           HG1      LYS  49  65.645   2.981   6.178
  387   1HD   LYS  49           HD2      LYS  49  67.388   3.268   8.558
  388   2HD   LYS  49           HD1      LYS  49  67.781   1.927   7.481
  389   1HE   LYS  49           HE2      LYS  49  67.814   3.493   5.561
  390   2HE   LYS  49           HE1      LYS  49  67.464   4.829   6.657
  391   1HZ   LYS  49           HZ2      LYS  49  69.517   4.030   7.912
  392   2HZ   LYS  49           HZ1      LYS  49  69.897   3.164   6.501
  393   3HZ   LYS  49           HZ3      LYS  49  69.764   4.853   6.446
  394    H    ALA  50           HN       ALA  50  61.707   2.547   8.351
  395    HA   ALA  50           HA       ALA  50  62.206   0.211   6.723
  396   1HB   ALA  50           HB3      ALA  50  61.139   0.064   8.965
  397   2HB   ALA  50           HB2      ALA  50  59.749   0.952   8.344
  398   3HB   ALA  50           HB1      ALA  50  60.126  -0.651   7.714
  399    H    PHE  51           HN       PHE  51  59.397   2.358   6.944
  400    HA   PHE  51           HA       PHE  51  58.339   1.637   4.446
  401   1HB   PHE  51           HB2      PHE  51  56.703   3.160   4.900
  402   2HB   PHE  51           HB1      PHE  51  57.390   3.095   6.514
  403    HD1  PHE  51           HD2      PHE  51  57.573   4.963   3.271
  404    HD2  PHE  51           HD1      PHE  51  58.309   5.038   7.488
  405    HE1  PHE  51           HE2      PHE  51  58.133   7.377   3.143
  406    HE2  PHE  51           HE1      PHE  51  58.869   7.434   7.357
  407    HZ   PHE  51           HZ       PHE  51  58.777   8.609   5.201
  408    H    THR  52           HN       THR  52  60.367   4.426   5.403
  409    HA   THR  52           HA       THR  52  60.449   5.630   2.849
  410    HB   THR  52           HB       THR  52  62.619   5.549   4.963
  411    HG1  THR  52           HG1      THR  52  61.683   7.785   5.149
  412   1HG2  THR  52           HG22     THR  52  62.593   6.613   2.271
  413   2HG2  THR  52           HG21     THR  52  62.782   7.909   3.453
  414   3HG2  THR  52           HG23     THR  52  63.918   6.560   3.433
  415    H    GLU  53           HN       GLU  53  62.437   3.055   4.206
  416    HA   GLU  53           HA       GLU  53  64.270   2.802   2.041
  417   1HB   GLU  53           HB2      GLU  53  64.814   1.851   4.171
  418   2HB   GLU  53           HB1      GLU  53  63.350   0.874   4.145
  419   1HG   GLU  53           HG2      GLU  53  65.278  -0.510   3.540
  420   2HG   GLU  53           HG1      GLU  53  64.204  -0.332   2.153
  421    H    CYS  54           HN       CYS  54  61.171   1.216   2.717
  422    HA   CYS  54           HA       CYS  54  61.371  -0.541   0.397
  423   1HB   CYS  54           HB2      CYS  54  59.381   0.017   2.539
  424   2HB   CYS  54           HB1      CYS  54  58.760  -0.643   1.025
  425    H    CYS  55           HN       CYS  55  60.139   2.618   1.085
  426    HA   CYS  55           HA       CYS  55  58.544   2.777  -1.369
  427   1HB   CYS  55           HB2      CYS  55  57.560   4.177   0.165
  428   2HB   CYS  55           HB1      CYS  55  59.057   4.430   1.039
  429    H    VAL  56           HN       VAL  56  61.763   3.505  -0.275
  430    HA   VAL  56           HA       VAL  56  62.413   5.171  -2.603
  431    HB   VAL  56           HB       VAL  56  64.226   3.863  -0.541
  432   1HG1  VAL  56           HG11     VAL  56  64.715   6.014  -2.616
  433   2HG1  VAL  56           HG13     VAL  56  65.856   5.585  -1.343
  434   3HG1  VAL  56           HG12     VAL  56  65.427   4.401  -2.578
  435   1HG2  VAL  56           HG21     VAL  56  62.388   5.898  -0.128
  436   2HG2  VAL  56           HG23     VAL  56  63.815   5.589   0.861
  437   3HG2  VAL  56           HG22     VAL  56  63.888   6.774  -0.444
  438    H    VAL  57           HN       VAL  57  63.006   1.862  -1.476
  439    HA   VAL  57           HA       VAL  57  64.584   1.120  -3.769
  440    HB   VAL  57           HB       VAL  57  64.062  -1.200  -3.064
  441   1HG1  VAL  57           HG12     VAL  57  64.870   0.844  -1.008
  442   2HG1  VAL  57           HG11     VAL  57  64.786  -0.862  -0.572
  443   3HG1  VAL  57           HG13     VAL  57  65.879  -0.330  -1.851
  444   1HG2  VAL  57           HG21     VAL  57  62.184   0.202  -1.144
  445   2HG2  VAL  57           HG23     VAL  57  61.738  -0.927  -2.421
  446   3HG2  VAL  57           HG22     VAL  57  62.637  -1.498  -1.017
  447    H    ALA  58           HN       ALA  58  61.199   0.909  -2.806
  448    HA   ALA  58           HA       ALA  58  60.204  -0.247  -5.217
  449   1HB   ALA  58           HB3      ALA  58  59.022   1.508  -3.062
  450   2HB   ALA  58           HB2      ALA  58  58.079   1.084  -4.491
  451   3HB   ALA  58           HB1      ALA  58  58.663  -0.183  -3.412
  452    H    SER  59           HN       SER  59  61.181   2.912  -4.177
  453    HA   SER  59           HA       SER  59  60.053   4.518  -6.225
  454   1HB   SER  59           HB2      SER  59  61.498   5.038  -4.059
  455   2HB   SER  59           HB1      SER  59  62.768   5.174  -5.265
  456    HG   SER  59           HG       SER  59  61.868   7.155  -5.226
  457    H    GLN  60           HN       GLN  60  63.211   2.919  -6.016
  458    HA   GLN  60           HA       GLN  60  64.115   3.706  -8.631
  459   1HB   GLN  60           HB2      GLN  60  65.124   2.284  -6.383
  460   2HB   GLN  60           HB1      GLN  60  65.292   1.243  -7.799
  461   1HG   GLN  60           HG2      GLN  60  66.725   2.713  -8.877
  462   2HG   GLN  60           HG1      GLN  60  66.041   4.124  -8.065
  463   1HE2  GLN  60           HE22     GLN  60  68.284   3.971  -5.331
  464   2HE2  GLN  60           HE21     GLN  60  66.934   4.742  -6.014
  465    H    LEU  61           HN       LEU  61  62.181   1.090  -7.395
  466    HA   LEU  61           HA       LEU  61  62.440  -0.639  -9.684
  467   1HB   LEU  61           HB2      LEU  61  60.419  -0.389  -7.454
  468   2HB   LEU  61           HB1      LEU  61  60.293  -1.620  -8.700
  469    HG   LEU  61           HG       LEU  61  62.485  -1.254  -6.689
  470   1HD1  LEU  61           HD13     LEU  61  60.404  -3.341  -7.283
  471   2HD1  LEU  61           HD12     LEU  61  61.881  -3.776  -6.422
  472   3HD1  LEU  61           HD11     LEU  61  60.787  -2.571  -5.744
  473   1HD2  LEU  61           HD23     LEU  61  62.513  -2.532  -9.363
  474   2HD2  LEU  61           HD22     LEU  61  63.854  -1.899  -8.409
  475   3HD2  LEU  61           HD21     LEU  61  63.194  -3.495  -8.052
  476    H    ARG  62           HN       ARG  62  60.272   1.989  -8.735
  477    HA   ARG  62           HA       ARG  62  58.851   1.679 -11.312
  478   1HB   ARG  62           HB2      ARG  62  57.186   3.238 -10.386
  479   2HB   ARG  62           HB1      ARG  62  57.441   1.873  -9.299
  480   1HG   ARG  62           HG2      ARG  62  58.919   3.207  -7.901
  481   2HG   ARG  62           HG1      ARG  62  58.818   4.559  -9.025
  482   1HD   ARG  62           HD2      ARG  62  57.280   5.068  -7.268
  483   2HD   ARG  62           HD1      ARG  62  56.293   4.526  -8.624
  484    HE   ARG  62           HE       ARG  62  56.531   3.186  -6.066
  485   1HH1  ARG  62           HH21     ARG  62  57.141   0.768  -6.874
  486   2HH1  ARG  62           HH22     ARG  62  55.864   0.135  -7.858
  487   1HH2  ARG  62           HH12     ARG  62  54.435   3.236  -8.462
  488   2HH2  ARG  62           HH11     ARG  62  54.333   1.533  -8.758
  489    H    ALA  63           HN       ALA  63  61.503   3.346 -10.174
  490    HA   ALA  63           HA       ALA  63  60.908   5.864 -11.597
  491   1HB   ALA  63           HB3      ALA  63  63.163   4.869  -9.875
  492   2HB   ALA  63           HB2      ALA  63  63.395   6.285 -10.901
  493   3HB   ALA  63           HB1      ALA  63  62.146   6.292  -9.656
  494    H    ASN  64           HN       ASN  64  62.665   2.875 -12.105
  495    HA   ASN  64           HA       ASN  64  63.630   3.981 -14.714
  496   1HB   ASN  64           HB2      ASN  64  65.012   2.515 -12.620
  497   2HB   ASN  64           HB1      ASN  64  65.107   1.663 -14.162
  498   1HD2  ASN  64           HD22     ASN  64  67.935   3.937 -14.407
  499   2HD2  ASN  64           HD21     ASN  64  67.520   2.441 -13.719
  500    H    ILE  65           HN       ILE  65  61.893   1.430 -13.090
  501    HA   ILE  65           HA       ILE  65  61.693  -0.121 -15.616
  502    HB   ILE  65           HB       ILE  65  60.383  -0.870 -13.007
  503   1HG1  ILE  65           HG12     ILE  65  63.243  -1.502 -13.792
  504   2HG1  ILE  65           HG11     ILE  65  62.802  -0.262 -12.618
  505   1HG2  ILE  65           HG23     ILE  65  60.977  -2.109 -15.600
  506   2HG2  ILE  65           HG22     ILE  65  61.473  -3.101 -14.228
  507   3HG2  ILE  65           HG21     ILE  65  59.795  -2.576 -14.376
  508   1HD1  ILE  65           HD13     ILE  65  61.864  -3.123 -12.359
  509   2HD1  ILE  65           HD12     ILE  65  63.389  -2.569 -11.665
  510   3HD1  ILE  65           HD11     ILE  65  61.866  -1.863 -11.124
  511    H    SER  66           HN       SER  66  59.290  -1.089 -15.824
  512    HA   SER  66           HA       SER  66  57.071   0.514 -15.018
  513   1HB   SER  66           HB2      SER  66  57.970   2.277 -16.397
  514   2HB   SER  66           HB1      SER  66  58.267   1.160 -17.726
  515    HG   SER  66           HG       SER  66  56.197   1.190 -18.224
  516    H    HIS  67           HN       HIS  67  57.710  -2.255 -15.332
  517    HA   HIS  67           HA       HIS  67  55.468  -3.046 -17.105
  518   1HB   HIS  67           HB2      HIS  67  58.219  -3.405 -17.787
  519   2HB   HIS  67           HB1      HIS  67  57.536  -4.988 -17.423
  520    HD1  HIS  67           HD1      HIS  67  58.263  -4.077 -20.349
  521    HD2  HIS  67           HD2      HIS  67  54.452  -3.877 -18.671
  522    HE1  HIS  67           HE1      HIS  67  56.629  -4.052 -22.284
  523    H    LYS  68           HN       LYS  68  56.005  -5.867 -16.823
  524    HA   LYS  68           HA       LYS  68  54.663  -6.615 -14.559
  525   1HB   LYS  68           HB2      LYS  68  55.757  -8.090 -16.406
  526   2HB   LYS  68           HB1      LYS  68  57.134  -8.166 -15.308
  527   1HG   LYS  68           HG2      LYS  68  55.683  -9.032 -13.522
  528   2HG   LYS  68           HG1      LYS  68  54.287  -8.932 -14.596
  529   1HD   LYS  68           HD2      LYS  68  54.955 -10.740 -15.865
  530   2HD   LYS  68           HD1      LYS  68  56.669 -10.457 -15.556
  531   1HE   LYS  68           HE2      LYS  68  54.639 -11.637 -13.643
  532   2HE   LYS  68           HE1      LYS  68  56.037 -12.448 -14.347
  533   1HZ   LYS  68           HZ3      LYS  68  57.303 -10.483 -13.225
  534   2HZ   LYS  68           HZ2      LYS  68  55.930 -10.426 -12.225
  535   3HZ   LYS  68           HZ1      LYS  68  56.858 -11.846 -12.318
  536    H    ASP  69           HN       ASP  69  58.123  -5.827 -14.677
  537    HA   ASP  69           HA       ASP  69  58.637  -6.431 -11.925
  538   1HB   ASP  69           HB2      ASP  69  60.139  -5.528 -14.179
  539   2HB   ASP  69           HB1      ASP  69  60.379  -4.362 -12.878
  540    H    MET  70           HN       MET  70  58.208  -3.330 -13.669
  541    HA   MET  70           HA       MET  70  57.978  -1.780 -11.238
  542   1HB   MET  70           HB2      MET  70  58.596  -0.878 -13.530
  543   2HB   MET  70           HB1      MET  70  56.899  -1.058 -13.977
  544   1HG   MET  70           HG2      MET  70  57.398   0.353 -11.421
  545   2HG   MET  70           HG1      MET  70  57.920   1.206 -12.873
  546   1HE   MET  70           HE3      MET  70  56.788   2.681 -13.843
  547   2HE   MET  70           HE2      MET  70  55.053   2.974 -13.929
  548   3HE   MET  70           HE1      MET  70  55.908   3.226 -12.409
  549    H    GLN  71           HN       GLN  71  55.450  -2.263 -13.727
  550    HA   GLN  71           HA       GLN  71  53.220  -1.553 -12.282
  551   1HB   GLN  71           HB2      GLN  71  53.263  -2.433 -14.657
  552   2HB   GLN  71           HB1      GLN  71  53.299  -4.061 -13.980
  553   1HG   GLN  71           HG2      GLN  71  51.104  -3.999 -13.408
  554   2HG   GLN  71           HG1      GLN  71  51.214  -2.341 -12.818
  555   1HE2  GLN  71           HE22     GLN  71  50.738  -2.711 -16.893
  556   2HE2  GLN  71           HE21     GLN  71  51.827  -3.738 -16.092
  557    H    LEU  72           HN       LEU  72  54.908  -4.712 -12.047
  558    HA   LEU  72           HA       LEU  72  53.123  -5.368  -9.738
  559   1HB   LEU  72           HB2      LEU  72  54.261  -6.914 -11.882
  560   2HB   LEU  72           HB1      LEU  72  54.816  -7.558 -10.337
  561    HG   LEU  72           HG       LEU  72  52.436  -7.549  -9.565
  562   1HD1  LEU  72           HD11     LEU  72  51.804  -5.743 -11.216
  563   2HD1  LEU  72           HD13     LEU  72  51.846  -6.976 -12.475
  564   3HD1  LEU  72           HD12     LEU  72  50.685  -7.105 -11.154
  565   1HD2  LEU  72           HD22     LEU  72  53.533  -9.186 -11.777
  566   2HD2  LEU  72           HD21     LEU  72  52.826  -9.700 -10.246
  567   3HD2  LEU  72           HD23     LEU  72  51.780  -9.263 -11.596
  568    H    GLY  73           HN       GLY  73  56.462  -6.299 -10.455
  569   1HA   GLY  73           HA2      GLY  73  57.499  -6.563  -7.949
  570   2HA   GLY  73           HA1      GLY  73  58.446  -5.861  -9.259
  571    H    ARG  74           HN       ARG  74  56.662  -3.525  -9.523
  572    HA   ARG  74           HA       ARG  74  56.715  -1.303  -8.696
  573   1HB   ARG  74           HB2      ARG  74  56.287  -2.741  -6.056
  574   2HB   ARG  74           HB1      ARG  74  55.889  -1.060  -6.410
  575   1HG   ARG  74           HG2      ARG  74  54.657  -2.651  -8.420
  576   2HG   ARG  74           HG1      ARG  74  54.293  -3.404  -6.864
  577   1HD   ARG  74           HD2      ARG  74  53.902  -0.460  -7.486
  578   2HD   ARG  74           HD1      ARG  74  52.617  -1.667  -7.503
  579    HE   ARG  74           HE       ARG  74  54.172  -1.370  -4.995
  580   1HH1  ARG  74           HH12     ARG  74  51.742  -2.829  -4.675
  581   2HH1  ARG  74           HH11     ARG  74  50.558  -1.637  -4.254
  582   1HH2  ARG  74           HH21     ARG  74  52.458   1.037  -5.379
  583   2HH2  ARG  74           HH22     ARG  74  50.963   0.550  -4.650
   
  No H/Q in entry =         583
  Start of MODEL    7
    1    H    MET   1           HN       MET   1  57.085  -9.817 -10.119
    2    HA   MET   1           HA       MET   1  55.252 -10.867  -8.682
    3   1HB   MET   1           HB2      MET   1  57.443 -10.495  -6.704
    4   2HB   MET   1           HB1      MET   1  55.759 -10.552  -6.204
    5   1HG   MET   1           HG2      MET   1  56.938 -12.783  -6.112
    6   2HG   MET   1           HG1      MET   1  55.478 -12.765  -7.096
    7   1HE   MET   1           HE1      MET   1  57.530 -14.722  -6.825
    8   2HE   MET   1           HE3      MET   1  57.027 -15.318  -8.413
    9   3HE   MET   1           HE2      MET   1  58.723 -14.959  -8.099
   10    H    LEU   2           HN       LEU   2  53.718  -9.565  -7.752
   11    HA   LEU   2           HA       LEU   2  53.757  -6.845  -8.499
   12   1HB   LEU   2           HB2      LEU   2  51.764  -8.341  -7.696
   13   2HB   LEU   2           HB1      LEU   2  52.241  -7.815  -6.081
   14    HG   LEU   2           HG       LEU   2  52.056  -5.448  -6.822
   15   1HD1  LEU   2           HD13     LEU   2  51.842  -6.763  -9.404
   16   2HD1  LEU   2           HD12     LEU   2  50.481  -5.675  -9.133
   17   3HD1  LEU   2           HD11     LEU   2  52.132  -5.062  -9.042
   18   1HD2  LEU   2           HD21     LEU   2  50.022  -7.202  -6.167
   19   2HD2  LEU   2           HD23     LEU   2  49.855  -5.449  -6.259
   20   3HD2  LEU   2           HD22     LEU   2  49.417  -6.450  -7.643
   21    H    GLN   3           HN       GLN   3  55.475  -8.533  -6.115
   22    HA   GLN   3           HA       GLN   3  56.836  -6.189  -5.216
   23   1HB   GLN   3           HB2      GLN   3  55.883  -5.767  -3.097
   24   2HB   GLN   3           HB1      GLN   3  54.494  -5.988  -4.164
   25   1HG   GLN   3           HG2      GLN   3  55.050  -8.570  -3.326
   26   2HG   GLN   3           HG1      GLN   3  55.349  -7.605  -1.881
   27   1HE2  GLN   3           HE22     GLN   3  51.909  -7.309  -1.244
   28   2HE2  GLN   3           HE21     GLN   3  53.489  -7.425  -0.634
   29    H    LYS   4           HN       LYS   4  57.906  -8.605  -6.055
   30    HA   LYS   4           HA       LYS   4  58.370 -10.425  -3.844
   31   1HB   LYS   4           HB2      LYS   4  59.167 -10.263  -6.614
   32   2HB   LYS   4           HB1      LYS   4  60.578 -10.567  -5.610
   33   1HG   LYS   4           HG2      LYS   4  58.181 -12.130  -4.875
   34   2HG   LYS   4           HG1      LYS   4  58.884 -12.528  -6.442
   35   1HD   LYS   4           HD2      LYS   4  59.941 -13.912  -4.747
   36   2HD   LYS   4           HD1      LYS   4  61.118 -12.737  -5.332
   37   1HE   LYS   4           HE2      LYS   4  61.403 -12.001  -3.225
   38   2HE   LYS   4           HE1      LYS   4  59.710 -11.512  -3.180
   39   1HZ   LYS   4           HZ2      LYS   4  60.051 -14.338  -2.886
   40   2HZ   LYS   4           HZ1      LYS   4  60.851 -13.466  -1.669
   41   3HZ   LYS   4           HZ3      LYS   4  59.188 -13.245  -1.913
   42    H    LYS   5           HN       LYS   5  59.835  -7.435  -4.890
   43    HA   LYS   5           HA       LYS   5  62.208  -7.904  -3.237
   44   1HB   LYS   5           HB2      LYS   5  61.409  -5.990  -5.315
   45   2HB   LYS   5           HB1      LYS   5  62.352  -5.273  -4.008
   46   1HG   LYS   5           HG2      LYS   5  64.136  -6.871  -4.322
   47   2HG   LYS   5           HG1      LYS   5  63.169  -7.793  -5.475
   48   1HD   LYS   5           HD2      LYS   5  63.584  -6.340  -7.182
   49   2HD   LYS   5           HD1      LYS   5  63.511  -4.927  -6.129
   50   1HE   LYS   5           HE2      LYS   5  65.777  -6.284  -5.252
   51   2HE   LYS   5           HE1      LYS   5  65.835  -6.465  -7.004
   52   1HZ   LYS   5           HZ1      LYS   5  65.390  -3.875  -5.628
   53   2HZ   LYS   5           HZ3      LYS   5  66.912  -4.415  -6.146
   54   3HZ   LYS   5           HZ2      LYS   5  65.683  -4.124  -7.283
   55    H    ILE   6           HN       ILE   6  59.123  -6.379  -2.901
   56    HA   ILE   6           HA       ILE   6  60.063  -4.827  -0.548
   57    HB   ILE   6           HB       ILE   6  57.252  -4.860  -1.628
   58   1HG1  ILE   6           HG12     ILE   6  59.059  -4.508  -3.424
   59   2HG1  ILE   6           HG11     ILE   6  57.837  -3.238  -3.269
   60   1HG2  ILE   6           HG23     ILE   6  58.856  -3.280   0.268
   61   2HG2  ILE   6           HG22     ILE   6  57.955  -2.298  -0.886
   62   3HG2  ILE   6           HG21     ILE   6  57.105  -3.448   0.147
   63   1HD1  ILE   6           HD13     ILE   6  60.166  -2.864  -1.511
   64   2HD1  ILE   6           HD12     ILE   6  60.559  -2.817  -3.230
   65   3HD1  ILE   6           HD11     ILE   6  59.359  -1.706  -2.569
   66    H    GLU   7           HN       GLU   7  58.268  -7.683  -1.370
   67    HA   GLU   7           HA       GLU   7  57.041  -7.929   1.285
   68   1HB   GLU   7           HB2      GLU   7  56.354 -10.177   0.479
   69   2HB   GLU   7           HB1      GLU   7  55.913  -8.921  -0.679
   70   1HG   GLU   7           HG2      GLU   7  56.990 -10.189  -2.214
   71   2HG   GLU   7           HG1      GLU   7  58.474  -9.598  -1.468
   72    H    GLU   8           HN       GLU   8  59.912  -8.866  -0.412
   73    HA   GLU   8           HA       GLU   8  60.802 -10.895   1.454
   74   1HB   GLU   8           HB2      GLU   8  62.913 -10.749   0.254
   75   2HB   GLU   8           HB1      GLU   8  61.602 -10.665  -0.922
   76   1HG   GLU   8           HG2      GLU   8  61.774  -8.187  -0.948
   77   2HG   GLU   8           HG1      GLU   8  63.098  -8.291   0.228
   78    H    ILE   9           HN       ILE   9  61.558  -7.435   0.979
   79    HA   ILE   9           HA       ILE   9  63.350  -7.325   3.242
   80    HB   ILE   9           HB       ILE   9  63.211  -5.734   1.199
   81   1HG1  ILE   9           HG12     ILE   9  64.783  -5.314   2.974
   82   2HG1  ILE   9           HG11     ILE   9  63.959  -3.792   2.638
   83   1HG2  ILE   9           HG22     ILE   9  60.811  -5.215   1.450
   84   2HG2  ILE   9           HG21     ILE   9  61.140  -4.471   3.015
   85   3HG2  ILE   9           HG23     ILE   9  61.797  -3.757   1.543
   86   1HD1  ILE   9           HD11     ILE   9  62.307  -4.545   4.509
   87   2HD1  ILE   9           HD13     ILE   9  63.597  -5.654   4.975
   88   3HD1  ILE   9           HD12     ILE   9  63.885  -3.914   4.982
   89    H    ALA  10           HN       ALA  10  59.982  -6.299   2.706
   90    HA   ALA  10           HA       ALA  10  59.422  -5.313   5.285
   91   1HB   ALA  10           HB2      ALA  10  57.921  -5.561   3.113
   92   2HB   ALA  10           HB1      ALA  10  57.413  -7.052   3.902
   93   3HB   ALA  10           HB3      ALA  10  57.177  -5.502   4.709
   94    H    ALA  11           HN       ALA  11  59.268  -8.616   4.006
   95    HA   ALA  11           HA       ALA  11  58.461  -9.836   6.479
   96   1HB   ALA  11           HB1      ALA  11  59.611 -10.803   3.886
   97   2HB   ALA  11           HB3      ALA  11  59.602 -11.896   5.270
   98   3HB   ALA  11           HB2      ALA  11  58.086 -11.232   4.661
   99    H    LYS  12           HN       LYS  12  61.593  -8.894   5.123
  100    HA   LYS  12           HA       LYS  12  62.988 -10.433   7.214
  101   1HB   LYS  12           HB2      LYS  12  64.978  -9.942   6.122
  102   2HB   LYS  12           HB1      LYS  12  63.836  -9.867   4.783
  103   1HG   LYS  12           HG2      LYS  12  64.642  -7.797   4.392
  104   2HG   LYS  12           HG1      LYS  12  63.777  -7.291   5.844
  105   1HD   LYS  12           HD2      LYS  12  65.928  -6.604   6.378
  106   2HD   LYS  12           HD1      LYS  12  65.943  -8.234   7.050
  107   1HE   LYS  12           HE2      LYS  12  66.683  -8.772   4.497
  108   2HE   LYS  12           HE1      LYS  12  67.361  -7.155   4.681
  109   1HZ   LYS  12           HZ1      LYS  12  67.947  -8.471   7.022
  110   2HZ   LYS  12           HZ3      LYS  12  68.249  -9.609   5.801
  111   3HZ   LYS  12           HZ2      LYS  12  69.028  -8.099   5.765
  112    H    TYR  13           HN       TYR  13  61.186  -8.621   8.332
  113    HA   TYR  13           HA       TYR  13  63.022  -6.570   9.490
  114   1HB   TYR  13           HB2      TYR  13  60.054  -6.598   9.017
  115   2HB   TYR  13           HB1      TYR  13  60.733  -5.593  10.291
  116    HD1  TYR  13           HD1      TYR  13  63.242  -4.641   9.275
  117    HD2  TYR  13           HD2      TYR  13  59.549  -5.248   7.172
  118    HE1  TYR  13           HE1      TYR  13  63.921  -2.946   7.596
  119    HE2  TYR  13           HE2      TYR  13  60.230  -3.559   5.492
  120    HH   TYR  13           HH       TYR  13  62.197  -2.502   4.639
  121    H    LYS  14           HN       LYS  14  63.397  -6.661  11.670
  122    HA   LYS  14           HA       LYS  14  62.377  -9.004  13.127
  123   1HB   LYS  14           HB2      LYS  14  64.788  -7.941  13.201
  124   2HB   LYS  14           HB1      LYS  14  64.059  -6.858  14.387
  125   1HG   LYS  14           HG2      LYS  14  63.679  -8.559  15.916
  126   2HG   LYS  14           HG1      LYS  14  63.592  -9.802  14.666
  127   1HD   LYS  14           HD2      LYS  14  66.071  -9.399  14.259
  128   2HD   LYS  14           HD1      LYS  14  66.068  -8.427  15.731
  129   1HE   LYS  14           HE2      LYS  14  65.330 -10.324  17.051
  130   2HE   LYS  14           HE1      LYS  14  65.131 -11.306  15.599
  131   1HZ   LYS  14           HZ1      LYS  14  67.746 -10.108  15.939
  132   2HZ   LYS  14           HZ3      LYS  14  67.342 -11.283  17.092
  133   3HZ   LYS  14           HZ2      LYS  14  67.322 -11.675  15.440
  134    H    HIS  15           HN       HIS  15  60.295  -7.250  12.493
  135    HA   HIS  15           HA       HIS  15  59.201  -6.715  15.113
  136   1HB   HIS  15           HB2      HIS  15  60.738  -4.626  13.906
  137   2HB   HIS  15           HB1      HIS  15  59.041  -4.147  13.873
  138    HD1  HIS  15           HD1      HIS  15  61.919  -4.331  16.094
  139    HD2  HIS  15           HD2      HIS  15  57.778  -4.405  16.577
  140    HE1  HIS  15           HE1      HIS  15  61.473  -3.832  18.537
  141    H    SER  16           HN       SER  16  57.229  -7.571  14.630
  142    HA   SER  16           HA       SER  16  55.940  -7.815  12.203
  143   1HB   SER  16           HB2      SER  16  54.867  -8.828  14.028
  144   2HB   SER  16           HB1      SER  16  54.851  -7.339  14.967
  145    HG   SER  16           HG       SER  16  52.845  -8.139  13.769
  146    H    VAL  17           HN       VAL  17  55.811  -4.856  14.253
  147    HA   VAL  17           HA       VAL  17  53.921  -3.456  12.660
  148    HB   VAL  17           HB       VAL  17  56.183  -2.374  14.362
  149   1HG1  VAL  17           HG13     VAL  17  54.986  -0.861  12.592
  150   2HG1  VAL  17           HG12     VAL  17  53.621  -0.938  13.706
  151   3HG1  VAL  17           HG11     VAL  17  55.161  -0.268  14.243
  152   1HG2  VAL  17           HG22     VAL  17  54.108  -3.915  15.198
  153   2HG2  VAL  17           HG21     VAL  17  54.818  -2.636  16.182
  154   3HG2  VAL  17           HG23     VAL  17  53.352  -2.321  15.253
  155    H    VAL  18           HN       VAL  18  57.468  -3.698  12.379
  156    HA   VAL  18           HA       VAL  18  57.826  -1.645  10.451
  157    HB   VAL  18           HB       VAL  18  59.333  -4.270  10.476
  158   1HG1  VAL  18           HG12     VAL  18  59.939  -1.439   9.629
  159   2HG1  VAL  18           HG11     VAL  18  61.205  -2.640   9.867
  160   3HG1  VAL  18           HG13     VAL  18  59.970  -2.893   8.633
  161   1HG2  VAL  18           HG22     VAL  18  58.984  -2.720  12.705
  162   2HG2  VAL  18           HG21     VAL  18  60.415  -3.699  12.390
  163   3HG2  VAL  18           HG23     VAL  18  60.417  -1.985  11.992
  164    H    LYS  19           HN       LYS  19  56.276  -4.718  10.224
  165    HA   LYS  19           HA       LYS  19  56.612  -5.174   7.407
  166   1HB   LYS  19           HB2      LYS  19  55.207  -6.401   9.553
  167   2HB   LYS  19           HB1      LYS  19  54.023  -6.064   8.291
  168   1HG   LYS  19           HG2      LYS  19  54.777  -7.895   7.218
  169   2HG   LYS  19           HG1      LYS  19  56.282  -7.021   6.930
  170   1HD   LYS  19           HD2      LYS  19  57.170  -8.796   8.082
  171   2HD   LYS  19           HD1      LYS  19  56.721  -7.805   9.471
  172   1HE   LYS  19           HE2      LYS  19  54.766  -9.054   9.887
  173   2HE   LYS  19           HE1      LYS  19  54.760  -9.752   8.268
  174   1HZ   LYS  19           HZ2      LYS  19  57.186 -10.387   9.535
  175   2HZ   LYS  19           HZ1      LYS  19  55.909 -10.800  10.578
  176   3HZ   LYS  19           HZ3      LYS  19  55.961 -11.439   9.007
  177    H    LYS  20           HN       LYS  20  54.031  -3.558   9.279
  178    HA   LYS  20           HA       LYS  20  52.482  -2.753   7.013
  179   1HB   LYS  20           HB2      LYS  20  51.345  -2.579   9.058
  180   2HB   LYS  20           HB1      LYS  20  52.709  -1.799   9.857
  181   1HG   LYS  20           HG2      LYS  20  52.035   0.268   9.218
  182   2HG   LYS  20           HG1      LYS  20  51.699  -0.260   7.568
  183   1HD   LYS  20           HD2      LYS  20  49.523   0.067   8.162
  184   2HD   LYS  20           HD1      LYS  20  49.688  -1.508   8.938
  185   1HE   LYS  20           HE2      LYS  20  48.900  -0.248  10.721
  186   2HE   LYS  20           HE1      LYS  20  50.641  -0.061  10.942
  187   1HZ   LYS  20           HZ3      LYS  20  49.892   1.891   9.146
  188   2HZ   LYS  20           HZ2      LYS  20  48.692   1.912  10.348
  189   3HZ   LYS  20           HZ1      LYS  20  50.325   2.113  10.771
  190    H    CYS  21           HN       CYS  21  54.997  -1.073   8.894
  191    HA   CYS  21           HA       CYS  21  55.020   1.396   7.584
  192   1HB   CYS  21           HB2      CYS  21  57.306  -0.255   8.689
  193   2HB   CYS  21           HB1      CYS  21  57.503   1.402   8.127
  194    H    CYS  22           HN       CYS  22  56.871  -1.528   6.653
  195    HA   CYS  22           HA       CYS  22  57.858  -0.335   4.214
  196   1HB   CYS  22           HB2      CYS  22  59.125  -2.169   5.008
  197   2HB   CYS  22           HB1      CYS  22  57.694  -3.168   5.255
  198    H    TYR  23           HN       TYR  23  54.914  -1.925   5.172
  199    HA   TYR  23           HA       TYR  23  53.985  -2.772   2.629
  200   1HB   TYR  23           HB2      TYR  23  52.876  -2.381   5.250
  201   2HB   TYR  23           HB1      TYR  23  51.762  -1.756   4.048
  202    HD1  TYR  23           HD2      TYR  23  51.416  -3.250   1.912
  203    HD2  TYR  23           HD1      TYR  23  52.884  -4.629   5.695
  204    HE1  TYR  23           HE2      TYR  23  50.763  -5.569   1.312
  205    HE2  TYR  23           HE1      TYR  23  52.243  -6.913   5.100
  206    HH   TYR  23           HH       TYR  23  50.430  -7.657   2.162
  207    H    ASP  24           HN       ASP  24  53.372   0.296   4.363
  208    HA   ASP  24           HA       ASP  24  52.119   1.597   2.139
  209   1HB   ASP  24           HB2      ASP  24  53.686   3.035   4.282
  210   2HB   ASP  24           HB1      ASP  24  52.244   3.584   3.428
  211    H    GLY  25           HN       GLY  25  55.487   1.641   3.361
  212   1HA   GLY  25           HA2      GLY  25  56.693   3.432   1.651
  213   2HA   GLY  25           HA1      GLY  25  57.469   1.907   2.096
  214    H    ALA  26           HN       ALA  26  56.126  -0.014   0.834
  215    HA   ALA  26           HA       ALA  26  56.828   0.251  -1.924
  216   1HB   ALA  26           HB2      ALA  26  56.063  -1.835  -0.243
  217   2HB   ALA  26           HB1      ALA  26  54.746  -1.735  -1.412
  218   3HB   ALA  26           HB3      ALA  26  56.404  -1.971  -1.968
  219    H    CYS  27           HN       CYS  27  53.757   0.659  -0.180
  220    HA   CYS  27           HA       CYS  27  52.334   1.221  -2.712
  221   1HB   CYS  27           HB2      CYS  27  51.519   0.927   0.168
  222   2HB   CYS  27           HB1      CYS  27  50.430   1.704  -0.981
  223    HG   CYS  27           HG       CYS  27  50.071  -0.483  -2.164
  224    H    VAL  28           HN       VAL  28  54.489   2.976  -1.309
  225    HA   VAL  28           HA       VAL  28  53.842   5.332  -0.221
  226    HB   VAL  28           HB       VAL  28  56.038   5.163  -1.072
  227   1HG1  VAL  28           HG11     VAL  28  54.622   4.433  -3.594
  228   2HG1  VAL  28           HG13     VAL  28  56.193   5.220  -3.743
  229   3HG1  VAL  28           HG12     VAL  28  56.047   3.704  -2.853
  230   1HG2  VAL  28           HG21     VAL  28  54.575   7.430  -1.555
  231   2HG2  VAL  28           HG23     VAL  28  56.317   7.306  -1.802
  232   3HG2  VAL  28           HG22     VAL  28  55.216   7.085  -3.162
  233    H    ASN  29           HN       ASN  29  52.793   7.285  -0.746
  234    HA   ASN  29           HA       ASN  29  50.414   7.229  -2.191
  235   1HB   ASN  29           HB2      ASN  29  51.911   9.187  -0.830
  236   2HB   ASN  29           HB1      ASN  29  51.627   9.847  -2.441
  237   1HD2  ASN  29           HD22     ASN  29  48.639  10.042   0.133
  238   2HD2  ASN  29           HD21     ASN  29  50.285   9.942   0.538
  239    H    ASN  30           HN       ASN  30  53.265   9.012  -3.423
  240    HA   ASN  30           HA       ASN  30  53.219   7.688  -5.987
  241   1HB   ASN  30           HB2      ASN  30  52.551  10.001  -7.126
  242   2HB   ASN  30           HB1      ASN  30  51.321   8.821  -6.670
  243   1HD2  ASN  30           HD22     ASN  30  51.196  12.443  -4.993
  244   2HD2  ASN  30           HD21     ASN  30  52.106  12.076  -6.378
  245    H    ASP  31           HN       ASP  31  53.696  11.149  -5.265
  246    HA   ASP  31           HA       ASP  31  56.238  11.274  -6.536
  247   1HB   ASP  31           HB2      ASP  31  56.487  13.443  -5.409
  248   2HB   ASP  31           HB1      ASP  31  54.846  13.266  -6.031
  249    H    GLU  32           HN       GLU  32  58.333  11.729  -5.414
  250    HA   GLU  32           HA       GLU  32  59.363   9.698  -3.915
  251   1HB   GLU  32           HB2      GLU  32  60.031  12.561  -4.172
  252   2HB   GLU  32           HB1      GLU  32  60.679  11.782  -2.728
  253   1HG   GLU  32           HG2      GLU  32  62.310  11.508  -4.485
  254   2HG   GLU  32           HG1      GLU  32  61.550   9.938  -4.220
  255    H    THR  33           HN       THR  33  58.618  12.712  -2.139
  256    HA   THR  33           HA       THR  33  58.598  11.807   0.438
  257    HB   THR  33           HB       THR  33  56.535  13.400   0.738
  258    HG1  THR  33           HG1      THR  33  57.348  14.081  -1.882
  259   1HG2  THR  33           HG23     THR  33  59.195  13.785   0.807
  260   2HG2  THR  33           HG22     THR  33  58.800  14.825  -0.561
  261   3HG2  THR  33           HG21     THR  33  58.044  15.107   1.008
  262    H    CYS  34           HN       CYS  34  57.935   9.621   0.617
  263    HA   CYS  34           HA       CYS  34  55.262   8.793  -0.215
  264   1HB   CYS  34           HB2      CYS  34  56.276   7.018   1.818
  265   2HB   CYS  34           HB1      CYS  34  56.039   6.701   0.111
  266    H    GLU  35           HN       GLU  35  56.349   8.211   3.110
  267    HA   GLU  35           HA       GLU  35  53.801   8.917   4.195
  268   1HB   GLU  35           HB2      GLU  35  56.524   8.838   5.531
  269   2HB   GLU  35           HB1      GLU  35  54.994   8.935   6.392
  270   1HG   GLU  35           HG2      GLU  35  54.908   6.803   4.445
  271   2HG   GLU  35           HG1      GLU  35  56.281   6.595   5.527
  272    H    GLN  36           HN       GLN  36  56.713  10.683   3.421
  273    HA   GLN  36           HA       GLN  36  56.236  13.125   4.779
  274   1HB   GLN  36           HB2      GLN  36  57.476  12.509   2.082
  275   2HB   GLN  36           HB1      GLN  36  57.409  14.147   2.731
  276   1HG   GLN  36           HG2      GLN  36  58.382  12.729   4.875
  277   2HG   GLN  36           HG1      GLN  36  59.123  11.885   3.516
  278   1HE2  GLN  36           HE22     GLN  36  61.518  14.558   4.114
  279   2HE2  GLN  36           HE21     GLN  36  61.099  13.027   4.712
  280    H    ARG  37           HN       ARG  37  55.077  11.903   1.627
  281    HA   ARG  37           HA       ARG  37  53.417  14.174   1.034
  282   1HB   ARG  37           HB2      ARG  37  53.914  12.544  -0.713
  283   2HB   ARG  37           HB1      ARG  37  53.168  11.254   0.230
  284   1HG   ARG  37           HG2      ARG  37  51.385  11.781  -1.135
  285   2HG   ARG  37           HG1      ARG  37  51.086  12.931   0.167
  286   1HD   ARG  37           HD2      ARG  37  52.942  14.181  -1.555
  287   2HD   ARG  37           HD1      ARG  37  51.719  13.459  -2.601
  288    HE   ARG  37           HE       ARG  37  51.284  15.649  -0.693
  289   1HH1  ARG  37           HH21     ARG  37  49.401  13.022  -0.908
  290   2HH1  ARG  37           HH22     ARG  37  48.066  13.758  -1.730
  291   1HH2  ARG  37           HH12     ARG  37  49.797  16.662  -2.501
  292   2HH2  ARG  37           HH11     ARG  37  48.290  15.819  -2.631
  293    H    ALA  38           HN       ALA  38  53.008  11.218   2.927
  294    HA   ALA  38           HA       ALA  38  50.273  11.207   3.473
  295   1HB   ALA  38           HB2      ALA  38  52.204   9.735   4.467
  296   2HB   ALA  38           HB1      ALA  38  52.256  10.956   5.735
  297   3HB   ALA  38           HB3      ALA  38  50.781  10.032   5.459
  298    H    ALA  39           HN       ALA  39  52.632  12.791   5.591
  299    HA   ALA  39           HA       ALA  39  51.499  15.388   5.560
  300   1HB   ALA  39           HB2      ALA  39  49.545  14.043   6.567
  301   2HB   ALA  39           HB1      ALA  39  50.569  13.839   7.989
  302   3HB   ALA  39           HB3      ALA  39  50.081  15.455   7.478
  303    H    ARG  40           HN       ARG  40  52.857  12.852   7.564
  304    HA   ARG  40           HA       ARG  40  55.354  14.121   8.005
  305   1HB   ARG  40           HB2      ARG  40  53.196  14.962   9.806
  306   2HB   ARG  40           HB1      ARG  40  54.589  14.290  10.654
  307   1HG   ARG  40           HG2      ARG  40  55.991  15.819   9.073
  308   2HG   ARG  40           HG1      ARG  40  54.472  16.680   8.830
  309   1HD   ARG  40           HD2      ARG  40  55.159  16.064  11.648
  310   2HD   ARG  40           HD1      ARG  40  56.191  17.250  10.848
  311    HE   ARG  40           HE       ARG  40  53.347  17.600  11.504
  312   1HH1  ARG  40           HH21     ARG  40  56.182  19.224  11.143
  313   2HH1  ARG  40           HH22     ARG  40  55.554  20.540  10.208
  314   1HH2  ARG  40           HH12     ARG  40  52.480  19.031   9.658
  315   2HH2  ARG  40           HH11     ARG  40  53.459  20.429   9.365
  316    H    ILE  41           HN       ILE  41  56.387  12.147   7.991
  317    HA   ILE  41           HA       ILE  41  55.328   9.700   8.794
  318    HB   ILE  41           HB       ILE  41  57.565   9.939   7.684
  319   1HG1  ILE  41           HG12     ILE  41  58.584   8.064   8.961
  320   2HG1  ILE  41           HG11     ILE  41  57.433   8.356  10.263
  321   1HG2  ILE  41           HG22     ILE  41  58.242  11.761   9.418
  322   2HG2  ILE  41           HG21     ILE  41  58.682  10.394  10.439
  323   3HG2  ILE  41           HG23     ILE  41  59.468  10.614   8.878
  324   1HD1  ILE  41           HD11     ILE  41  56.558   7.837   7.417
  325   2HD1  ILE  41           HD13     ILE  41  56.754   6.544   8.598
  326   3HD1  ILE  41           HD12     ILE  41  55.564   7.818   8.871
  327    H    SER  42           HN       SER  42  54.122   9.658  10.589
  328    HA   SER  42           HA       SER  42  55.656   9.905  13.074
  329   1HB   SER  42           HB2      SER  42  54.204  11.372  14.126
  330   2HB   SER  42           HB1      SER  42  54.187  12.003  12.477
  331    HG   SER  42           HG       SER  42  52.077  11.753  13.055
  332    H    LEU  43           HN       LEU  43  55.251   7.558  12.023
  333    HA   LEU  43           HA       LEU  43  52.981   6.513  13.605
  334   1HB   LEU  43           HB2      LEU  43  54.229   5.326  11.108
  335   2HB   LEU  43           HB1      LEU  43  52.928   4.583  12.039
  336    HG   LEU  43           HG       LEU  43  52.355   7.365  11.340
  337   1HD1  LEU  43           HD12     LEU  43  53.663   5.885   9.340
  338   2HD1  LEU  43           HD11     LEU  43  51.949   5.790   8.937
  339   3HD1  LEU  43           HD13     LEU  43  52.726   7.363   9.117
  340   1HD2  LEU  43           HD23     LEU  43  51.017   4.908  11.846
  341   2HD2  LEU  43           HD22     LEU  43  50.292   6.493  11.577
  342   3HD2  LEU  43           HD21     LEU  43  50.571   5.408  10.215
  343    H    GLY  44           HN       GLY  44  56.300   6.766  13.383
  344   1HA   GLY  44           HA2      GLY  44  57.110   5.514  15.626
  345   2HA   GLY  44           HA1      GLY  44  56.872   4.117  14.576
  346    HA   PRO  45           HA       PRO  45  61.145   6.041  13.775
  347   1HB   PRO  45           HB2      PRO  45  62.624   4.230  15.157
  348   2HB   PRO  45           HB1      PRO  45  61.969   5.696  15.897
  349   1HG   PRO  45           HG2      PRO  45  61.091   2.891  16.208
  350   2HG   PRO  45           HG1      PRO  45  60.996   4.240  17.349
  351   1HD   PRO  45           HD2      PRO  45  58.891   3.239  15.812
  352   2HD   PRO  45           HD1      PRO  45  58.899   4.777  16.675
  353    H    ARG  46           HN       ARG  46  60.830   2.515  14.348
  354    HA   ARG  46           HA       ARG  46  62.371   1.603  12.215
  355   1HB   ARG  46           HB2      ARG  46  61.369  -0.476  12.527
  356   2HB   ARG  46           HB1      ARG  46  61.005   0.306  14.061
  357   1HG   ARG  46           HG2      ARG  46  59.098   0.334  11.701
  358   2HG   ARG  46           HG1      ARG  46  59.045  -0.880  12.974
  359   1HD   ARG  46           HD2      ARG  46  59.118   1.937  13.894
  360   2HD   ARG  46           HD1      ARG  46  57.639   1.429  13.083
  361    HE   ARG  46           HE       ARG  46  57.799  -0.564  14.808
  362   1HH1  ARG  46           HH12     ARG  46  59.896   0.347  16.533
  363   2HH1  ARG  46           HH11     ARG  46  59.103   1.373  17.681
  364   1HH2  ARG  46           HH21     ARG  46  56.258   1.788  15.743
  365   2HH2  ARG  46           HH22     ARG  46  57.044   2.189  17.234
  366    H    CYS  47           HN       CYS  47  59.247   3.102  12.155
  367    HA   CYS  47           HA       CYS  47  58.385   2.314   9.521
  368   1HB   CYS  47           HB2      CYS  47  57.437   3.937  11.626
  369   2HB   CYS  47           HB1      CYS  47  57.612   5.018  10.238
  370    H    ILE  48           HN       ILE  48  59.751   5.412  10.614
  371    HA   ILE  48           HA       ILE  48  60.062   6.789   8.326
  372    HB   ILE  48           HB       ILE  48  61.379   6.718  10.847
  373   1HG1  ILE  48           HG12     ILE  48  62.019   9.109   9.525
  374   2HG1  ILE  48           HG11     ILE  48  60.488   8.584   8.823
  375   1HG2  ILE  48           HG23     ILE  48  63.254   6.955   8.497
  376   2HG2  ILE  48           HG22     ILE  48  63.589   7.737  10.041
  377   3HG2  ILE  48           HG21     ILE  48  63.442   5.984   9.957
  378   1HD1  ILE  48           HD13     ILE  48  60.826   8.440  11.796
  379   2HD1  ILE  48           HD12     ILE  48  60.518  10.011  11.053
  380   3HD1  ILE  48           HD11     ILE  48  59.361   8.695  10.848
  381    H    LYS  49           HN       LYS  49  62.658   4.470   9.281
  382    HA   LYS  49           HA       LYS  49  63.716   4.548   6.553
  383   1HB   LYS  49           HB2      LYS  49  64.775   3.999   9.078
  384   2HB   LYS  49           HB1      LYS  49  64.820   2.453   8.232
  385   1HG   LYS  49           HG2      LYS  49  65.660   4.225   6.286
  386   2HG   LYS  49           HG1      LYS  49  66.386   4.889   7.750
  387   1HD   LYS  49           HD2      LYS  49  67.793   3.116   8.010
  388   2HD   LYS  49           HD1      LYS  49  66.576   1.950   7.491
  389   1HE   LYS  49           HE2      LYS  49  67.134   2.147   5.262
  390   2HE   LYS  49           HE1      LYS  49  67.659   3.823   5.433
  391   1HZ   LYS  49           HZ3      LYS  49  69.122   1.490   6.540
  392   2HZ   LYS  49           HZ2      LYS  49  69.502   2.246   5.066
  393   3HZ   LYS  49           HZ1      LYS  49  69.644   3.103   6.526
  394    H    ALA  50           HN       ALA  50  61.549   2.438   8.316
  395    HA   ALA  50           HA       ALA  50  62.029   0.129   6.653
  396   1HB   ALA  50           HB3      ALA  50  59.608   0.876   8.322
  397   2HB   ALA  50           HB2      ALA  50  59.892  -0.707   7.597
  398   3HB   ALA  50           HB1      ALA  50  60.968  -0.110   8.861
  399    H    PHE  51           HN       PHE  51  59.275   2.350   6.867
  400    HA   PHE  51           HA       PHE  51  58.203   1.615   4.370
  401   1HB   PHE  51           HB2      PHE  51  56.568   3.136   4.819
  402   2HB   PHE  51           HB1      PHE  51  57.251   3.072   6.435
  403    HD1  PHE  51           HD2      PHE  51  57.447   4.936   3.190
  404    HD2  PHE  51           HD1      PHE  51  58.159   5.022   7.413
  405    HE1  PHE  51           HE2      PHE  51  57.994   7.353   3.060
  406    HE2  PHE  51           HE1      PHE  51  58.703   7.424   7.281
  407    HZ   PHE  51           HZ       PHE  51  58.615   8.594   5.119
  408    H    THR  52           HN       THR  52  60.239   4.404   5.326
  409    HA   THR  52           HA       THR  52  60.316   5.607   2.775
  410    HB   THR  52           HB       THR  52  62.508   5.480   4.863
  411    HG1  THR  52           HG1      THR  52  61.604   7.766   4.984
  412   1HG2  THR  52           HG21     THR  52  63.374   6.050   2.610
  413   2HG2  THR  52           HG23     THR  52  62.188   7.350   2.500
  414   3HG2  THR  52           HG22     THR  52  63.463   7.420   3.716
  415    H    GLU  53           HN       GLU  53  62.306   3.006   4.101
  416    HA   GLU  53           HA       GLU  53  64.081   2.728   1.891
  417   1HB   GLU  53           HB2      GLU  53  64.622   1.774   4.045
  418   2HB   GLU  53           HB1      GLU  53  63.184   0.760   3.970
  419   1HG   GLU  53           HG2      GLU  53  65.326  -0.428   3.339
  420   2HG   GLU  53           HG1      GLU  53  64.062  -0.492   2.111
  421    H    CYS  54           HN       CYS  54  61.018   1.119   2.679
  422    HA   CYS  54           HA       CYS  54  61.103  -0.636   0.374
  423   1HB   CYS  54           HB2      CYS  54  59.133   0.053   2.504
  424   2HB   CYS  54           HB1      CYS  54  58.518  -0.685   1.023
  425    H    CYS  55           HN       CYS  55  59.995   2.568   1.016
  426    HA   CYS  55           HA       CYS  55  58.392   2.730  -1.434
  427   1HB   CYS  55           HB2      CYS  55  57.427   4.131   0.120
  428   2HB   CYS  55           HB1      CYS  55  58.944   4.429   0.942
  429    H    VAL  56           HN       VAL  56  61.648   3.345  -0.377
  430    HA   VAL  56           HA       VAL  56  62.294   5.066  -2.666
  431    HB   VAL  56           HB       VAL  56  64.116   3.604  -0.718
  432   1HG1  VAL  56           HG12     VAL  56  65.181   4.163  -2.878
  433   2HG1  VAL  56           HG11     VAL  56  64.687   5.844  -2.683
  434   3HG1  VAL  56           HG13     VAL  56  65.849   5.132  -1.564
  435   1HG2  VAL  56           HG23     VAL  56  62.416   5.717  -0.179
  436   2HG2  VAL  56           HG22     VAL  56  63.884   5.340   0.723
  437   3HG2  VAL  56           HG21     VAL  56  63.929   6.534  -0.575
  438    H    VAL  57           HN       VAL  57  62.774   1.703  -1.668
  439    HA   VAL  57           HA       VAL  57  64.192   0.942  -4.058
  440    HB   VAL  57           HB       VAL  57  63.601  -1.370  -3.358
  441   1HG1  VAL  57           HG13     VAL  57  64.827   0.647  -1.572
  442   2HG1  VAL  57           HG12     VAL  57  64.382  -0.870  -0.792
  443   3HG1  VAL  57           HG11     VAL  57  65.489  -0.875  -2.165
  444   1HG2  VAL  57           HG22     VAL  57  61.948   0.080  -1.268
  445   2HG2  VAL  57           HG21     VAL  57  61.336  -0.971  -2.543
  446   3HG2  VAL  57           HG23     VAL  57  62.304  -1.646  -1.234
  447    H    ALA  58           HN       ALA  58  60.853   0.838  -2.911
  448    HA   ALA  58           HA       ALA  58  59.676  -0.206  -5.289
  449   1HB   ALA  58           HB2      ALA  58  58.542   1.783  -3.292
  450   2HB   ALA  58           HB1      ALA  58  57.599   0.843  -4.449
  451   3HB   ALA  58           HB3      ALA  58  58.445   0.029  -3.132
  452    H    SER  59           HN       SER  59  60.876   2.862  -4.249
  453    HA   SER  59           HA       SER  59  59.723   4.622  -6.130
  454   1HB   SER  59           HB2      SER  59  61.484   4.832  -4.106
  455   2HB   SER  59           HB1      SER  59  62.549   5.079  -5.482
  456    HG   SER  59           HG       SER  59  60.938   6.824  -4.391
  457    H    GLN  60           HN       GLN  60  63.018   3.312  -6.264
  458    HA   GLN  60           HA       GLN  60  63.534   3.900  -8.979
  459   1HB   GLN  60           HB2      GLN  60  64.768   2.427  -6.836
  460   2HB   GLN  60           HB1      GLN  60  64.858   1.491  -8.328
  461   1HG   GLN  60           HG2      GLN  60  66.111   3.120  -9.430
  462   2HG   GLN  60           HG1      GLN  60  65.496   4.418  -8.402
  463   1HE2  GLN  60           HE22     GLN  60  67.731   3.427  -5.647
  464   2HE2  GLN  60           HE21     GLN  60  66.085   3.777  -5.866
  465    H    LEU  61           HN       LEU  61  61.696   1.371  -7.482
  466    HA   LEU  61           HA       LEU  61  61.722  -0.483  -9.675
  467   1HB   LEU  61           HB2      LEU  61  60.045  -0.031  -7.233
  468   2HB   LEU  61           HB1      LEU  61  59.473  -1.156  -8.455
  469    HG   LEU  61           HG       LEU  61  62.019  -1.285  -6.873
  470   1HD1  LEU  61           HD13     LEU  61  59.636  -3.121  -7.204
  471   2HD1  LEU  61           HD12     LEU  61  61.103  -3.560  -6.327
  472   3HD1  LEU  61           HD11     LEU  61  60.094  -2.233  -5.752
  473   1HD2  LEU  61           HD21     LEU  61  61.317  -2.459  -9.511
  474   2HD2  LEU  61           HD23     LEU  61  62.903  -2.072  -8.843
  475   3HD2  LEU  61           HD22     LEU  61  62.075  -3.550  -8.350
  476    H    ARG  62           HN       ARG  62  59.691   2.248  -8.725
  477    HA   ARG  62           HA       ARG  62  58.119   1.889 -11.206
  478   1HB   ARG  62           HB2      ARG  62  56.587   3.587 -10.227
  479   2HB   ARG  62           HB1      ARG  62  56.803   2.198  -9.163
  480   1HG   ARG  62           HG2      ARG  62  58.453   3.423  -7.843
  481   2HG   ARG  62           HG1      ARG  62  58.343   4.799  -8.938
  482   1HD   ARG  62           HD2      ARG  62  56.974   5.238  -6.969
  483   2HD   ARG  62           HD1      ARG  62  55.921   5.009  -8.363
  484    HE   ARG  62           HE       ARG  62  56.145   3.204  -6.054
  485   1HH1  ARG  62           HH12     ARG  62  56.025   0.974  -7.422
  486   2HH1  ARG  62           HH11     ARG  62  54.511   0.875  -8.259
  487   1HH2  ARG  62           HH21     ARG  62  53.818   4.256  -7.957
  488   2HH2  ARG  62           HH22     ARG  62  53.263   2.731  -8.561
  489    H    ALA  63           HN       ALA  63  60.904   3.445 -10.331
  490    HA   ALA  63           HA       ALA  63  60.293   5.904 -11.888
  491   1HB   ALA  63           HB2      ALA  63  62.413   5.122  -9.920
  492   2HB   ALA  63           HB1      ALA  63  62.769   6.387 -11.096
  493   3HB   ALA  63           HB3      ALA  63  61.422   6.579  -9.975
  494    H    ASN  64           HN       ASN  64  62.902   3.437 -11.731
  495    HA   ASN  64           HA       ASN  64  63.498   4.074 -14.584
  496   1HB   ASN  64           HB2      ASN  64  65.166   2.500 -12.603
  497   2HB   ASN  64           HB1      ASN  64  65.672   3.058 -14.198
  498   1HD2  ASN  64           HD22     ASN  64  66.992   5.610 -11.904
  499   2HD2  ASN  64           HD21     ASN  64  67.334   4.006 -12.344
  500    H    ILE  65           HN       ILE  65  61.203   2.470 -14.059
  501    HA   ILE  65           HA       ILE  65  61.999   0.062 -15.548
  502    HB   ILE  65           HB       ILE  65  60.425  -0.338 -13.006
  503   1HG1  ILE  65           HG12     ILE  65  63.429  -0.524 -13.390
  504   2HG1  ILE  65           HG11     ILE  65  62.584   0.619 -12.346
  505   1HG2  ILE  65           HG21     ILE  65  61.821  -2.047 -15.048
  506   2HG2  ILE  65           HG23     ILE  65  61.611  -2.651 -13.404
  507   3HG2  ILE  65           HG22     ILE  65  60.202  -2.224 -14.373
  508   1HD1  ILE  65           HD11     ILE  65  61.540  -1.543 -11.286
  509   2HD1  ILE  65           HD13     ILE  65  62.932  -2.347 -12.014
  510   3HD1  ILE  65           HD12     ILE  65  63.176  -1.061 -10.832
  511    H    SER  66           HN       SER  66  59.878  -1.299 -15.953
  512    HA   SER  66           HA       SER  66  57.317  -0.075 -15.756
  513   1HB   SER  66           HB2      SER  66  58.667   1.516 -17.348
  514   2HB   SER  66           HB1      SER  66  58.399   0.250 -18.543
  515    HG   SER  66           HG       SER  66  56.617   2.000 -17.336
  516    H    HIS  67           HN       HIS  67  58.088  -2.658 -15.421
  517    HA   HIS  67           HA       HIS  67  56.509  -4.042 -17.464
  518   1HB   HIS  67           HB2      HIS  67  59.381  -3.979 -17.649
  519   2HB   HIS  67           HB1      HIS  67  58.856  -5.620 -17.274
  520    HD1  HIS  67           HD1      HIS  67  56.102  -5.470 -18.796
  521    HD2  HIS  67           HD2      HIS  67  59.782  -4.364 -20.411
  522    HE1  HIS  67           HE1      HIS  67  55.855  -5.624 -21.311
  523    H    LYS  68           HN       LYS  68  57.095  -6.650 -16.831
  524    HA   LYS  68           HA       LYS  68  55.696  -7.305 -14.585
  525   1HB   LYS  68           HB2      LYS  68  58.157  -8.588 -15.756
  526   2HB   LYS  68           HB1      LYS  68  57.404  -9.263 -14.310
  527   1HG   LYS  68           HG2      LYS  68  55.331  -8.678 -16.187
  528   2HG   LYS  68           HG1      LYS  68  56.589  -9.583 -17.028
  529   1HD   LYS  68           HD2      LYS  68  56.549 -11.281 -15.211
  530   2HD   LYS  68           HD1      LYS  68  55.230 -10.396 -14.442
  531   1HE   LYS  68           HE2      LYS  68  55.215 -11.824 -17.103
  532   2HE   LYS  68           HE1      LYS  68  54.161 -12.093 -15.716
  533   1HZ   LYS  68           HZ3      LYS  68  53.442  -9.696 -16.078
  534   2HZ   LYS  68           HZ2      LYS  68  54.170  -9.824 -17.608
  535   3HZ   LYS  68           HZ1      LYS  68  52.883 -10.849 -17.189
  536    H    ASP  69           HN       ASP  69  59.006  -6.091 -14.597
  537    HA   ASP  69           HA       ASP  69  59.498  -6.525 -11.801
  538   1HB   ASP  69           HB2      ASP  69  60.844  -5.180 -14.062
  539   2HB   ASP  69           HB1      ASP  69  61.111  -4.410 -12.498
  540    H    MET  70           HN       MET  70  58.761  -3.584 -13.710
  541    HA   MET  70           HA       MET  70  58.137  -2.025 -11.340
  542   1HB   MET  70           HB2      MET  70  58.874  -1.144 -13.647
  543   2HB   MET  70           HB1      MET  70  57.207  -1.414 -14.150
  544   1HG   MET  70           HG2      MET  70  57.758   0.115 -11.629
  545   2HG   MET  70           HG1      MET  70  57.901   0.930 -13.187
  546   1HE   MET  70           HE1      MET  70  56.159   0.505 -10.405
  547   2HE   MET  70           HE3      MET  70  55.490   2.000 -11.072
  548   3HE   MET  70           HE2      MET  70  54.427   0.645 -10.697
  549    H    GLN  71           HN       GLN  71  56.010  -2.965 -14.066
  550    HA   GLN  71           HA       GLN  71  53.545  -2.457 -12.954
  551   1HB   GLN  71           HB2      GLN  71  54.269  -3.673 -15.209
  552   2HB   GLN  71           HB1      GLN  71  53.861  -5.118 -14.284
  553   1HG   GLN  71           HG2      GLN  71  51.666  -3.904 -13.693
  554   2HG   GLN  71           HG1      GLN  71  52.076  -2.789 -14.996
  555   1HE2  GLN  71           HE22     GLN  71  50.061  -5.363 -16.661
  556   2HE2  GLN  71           HE21     GLN  71  49.828  -4.049 -15.614
  557    H    LEU  72           HN       LEU  72  55.529  -5.395 -12.331
  558    HA   LEU  72           HA       LEU  72  53.587  -6.137 -10.190
  559   1HB   LEU  72           HB2      LEU  72  55.155  -7.635 -12.033
  560   2HB   LEU  72           HB1      LEU  72  55.765  -7.988 -10.414
  561    HG   LEU  72           HG       LEU  72  53.299  -8.280  -9.749
  562   1HD1  LEU  72           HD12     LEU  72  53.105  -7.573 -12.548
  563   2HD1  LEU  72           HD11     LEU  72  52.362  -9.145 -12.251
  564   3HD1  LEU  72           HD13     LEU  72  51.822  -7.728 -11.349
  565   1HD2  LEU  72           HD22     LEU  72  55.203 -10.049 -10.712
  566   2HD2  LEU  72           HD21     LEU  72  53.672 -10.513  -9.969
  567   3HD2  LEU  72           HD23     LEU  72  53.802 -10.400 -11.724
  568    H    GLY  73           HN       GLY  73  57.083  -6.484 -10.450
  569   1HA   GLY  73           HA2      GLY  73  57.867  -6.445  -7.846
  570   2HA   GLY  73           HA1      GLY  73  58.806  -5.627  -9.095
  571    H    ARG  74           HN       ARG  74  57.089  -3.563  -9.780
  572    HA   ARG  74           HA       ARG  74  57.057  -1.273  -9.059
  573   1HB   ARG  74           HB2      ARG  74  54.969  -0.905  -7.926
  574   2HB   ARG  74           HB1      ARG  74  54.749  -2.299  -8.983
  575   1HG   ARG  74           HG2      ARG  74  53.875  -3.204  -7.063
  576   2HG   ARG  74           HG1      ARG  74  55.571  -3.582  -6.766
  577   1HD   ARG  74           HD2      ARG  74  55.835  -1.816  -5.248
  578   2HD   ARG  74           HD1      ARG  74  54.448  -0.934  -5.889
  579    HE   ARG  74           HE       ARG  74  54.344  -3.134  -3.934
  580   1HH1  ARG  74           HH12     ARG  74  52.235  -3.864  -5.795
  581   2HH1  ARG  74           HH11     ARG  74  50.885  -2.904  -5.289
  582   1HH2  ARG  74           HH21     ARG  74  52.811  -0.692  -3.441
  583   2HH2  ARG  74           HH22     ARG  74  51.211  -1.108  -3.956
   
  No H/Q in entry =         583
  Start of MODEL    8
    1    H    MET   1           HN       MET   1  55.646  -9.304 -10.622
    2    HA   MET   1           HA       MET   1  55.958 -10.195  -7.805
    3   1HB   MET   1           HB2      MET   1  57.700  -8.575  -9.658
    4   2HB   MET   1           HB1      MET   1  58.021  -8.747  -7.934
    5   1HG   MET   1           HG2      MET   1  58.973 -10.750  -8.284
    6   2HG   MET   1           HG1      MET   1  57.476 -11.339  -9.006
    7   1HE   MET   1           HE2      MET   1  56.798 -11.439 -10.942
    8   2HE   MET   1           HE1      MET   1  57.419 -10.775 -12.452
    9   3HE   MET   1           HE3      MET   1  57.976 -12.355 -11.880
   10    H    LEU   2           HN       LEU   2  53.777  -8.937  -7.506
   11    HA   LEU   2           HA       LEU   2  53.938  -6.038  -7.485
   12   1HB   LEU   2           HB2      LEU   2  51.795  -7.458  -7.541
   13   2HB   LEU   2           HB1      LEU   2  52.069  -7.744  -5.825
   14    HG   LEU   2           HG       LEU   2  52.230  -5.183  -5.603
   15   1HD1  LEU   2           HD11     LEU   2  51.421  -5.539  -8.441
   16   2HD1  LEU   2           HD13     LEU   2  50.589  -4.274  -7.540
   17   3HD1  LEU   2           HD12     LEU   2  52.345  -4.238  -7.691
   18   1HD2  LEU   2           HD21     LEU   2  49.659  -6.609  -6.339
   19   2HD2  LEU   2           HD23     LEU   2  50.321  -6.362  -4.724
   20   3HD2  LEU   2           HD22     LEU   2  49.700  -4.989  -5.641
   21    H    GLN   3           HN       GLN   3  55.693  -8.165  -5.779
   22    HA   GLN   3           HA       GLN   3  56.524  -6.352  -3.763
   23   1HB   GLN   3           HB2      GLN   3  55.444  -7.208  -1.773
   24   2HB   GLN   3           HB1      GLN   3  54.178  -6.803  -2.931
   25   1HG   GLN   3           HG2      GLN   3  55.043  -9.505  -3.396
   26   2HG   GLN   3           HG1      GLN   3  54.633  -9.310  -1.691
   27   1HE2  GLN   3           HE22     GLN   3  51.207  -8.260  -2.527
   28   2HE2  GLN   3           HE21     GLN   3  52.487  -7.716  -1.553
   29    H    LYS   4           HN       LYS   4  58.150  -7.789  -5.233
   30    HA   LYS   4           HA       LYS   4  58.710 -10.374  -3.915
   31   1HB   LYS   4           HB2      LYS   4  58.913  -9.590  -6.530
   32   2HB   LYS   4           HB1      LYS   4  60.582  -9.422  -5.985
   33   1HG   LYS   4           HG2      LYS   4  58.872 -11.901  -5.637
   34   2HG   LYS   4           HG1      LYS   4  60.139 -11.701  -6.846
   35   1HD   LYS   4           HD2      LYS   4  61.463 -12.655  -5.252
   36   2HD   LYS   4           HD1      LYS   4  61.506 -11.018  -4.598
   37   1HE   LYS   4           HE2      LYS   4  60.889 -12.920  -2.967
   38   2HE   LYS   4           HE1      LYS   4  59.846 -11.499  -2.974
   39   1HZ   LYS   4           HZ1      LYS   4  59.190 -13.668  -4.818
   40   2HZ   LYS   4           HZ3      LYS   4  58.891 -13.934  -3.170
   41   3HZ   LYS   4           HZ2      LYS   4  58.161 -12.620  -3.962
   42    H    LYS   5           HN       LYS   5  60.496  -7.335  -4.638
   43    HA   LYS   5           HA       LYS   5  62.580  -8.158  -2.753
   44   1HB   LYS   5           HB2      LYS   5  63.895  -6.732  -3.931
   45   2HB   LYS   5           HB1      LYS   5  62.549  -6.617  -5.058
   46   1HG   LYS   5           HG2      LYS   5  61.729  -4.626  -4.033
   47   2HG   LYS   5           HG1      LYS   5  62.796  -4.820  -2.649
   48   1HD   LYS   5           HD2      LYS   5  64.218  -4.769  -5.218
   49   2HD   LYS   5           HD1      LYS   5  63.358  -3.271  -4.858
   50   1HE   LYS   5           HE2      LYS   5  65.646  -3.198  -3.946
   51   2HE   LYS   5           HE1      LYS   5  64.457  -3.174  -2.644
   52   1HZ   LYS   5           HZ3      LYS   5  64.752  -5.691  -2.638
   53   2HZ   LYS   5           HZ2      LYS   5  66.164  -5.413  -3.540
   54   3HZ   LYS   5           HZ1      LYS   5  66.004  -4.756  -1.981
   55    H    ILE   6           HN       ILE   6  59.656  -6.437  -2.710
   56    HA   ILE   6           HA       ILE   6  60.412  -4.872  -0.311
   57    HB   ILE   6           HB       ILE   6  57.726  -4.900  -1.681
   58   1HG1  ILE   6           HG12     ILE   6  59.765  -4.564  -3.249
   59   2HG1  ILE   6           HG11     ILE   6  58.500  -3.326  -3.278
   60   1HG2  ILE   6           HG23     ILE   6  59.041  -3.382   0.434
   61   2HG2  ILE   6           HG22     ILE   6  58.450  -2.330  -0.851
   62   3HG2  ILE   6           HG21     ILE   6  57.338  -3.418  -0.019
   63   1HD1  ILE   6           HD13     ILE   6  60.579  -2.862  -1.246
   64   2HD1  ILE   6           HD12     ILE   6  61.177  -2.824  -2.904
   65   3HD1  ILE   6           HD11     ILE   6  59.875  -1.741  -2.411
   66    H    GLU   7           HN       GLU   7  58.548  -7.669  -1.282
   67    HA   GLU   7           HA       GLU   7  57.148  -7.870   1.287
   68   1HB   GLU   7           HB2      GLU   7  56.196  -8.831  -0.813
   69   2HB   GLU   7           HB1      GLU   7  57.549  -9.960  -0.881
   70   1HG   GLU   7           HG2      GLU   7  56.111 -11.311   0.272
   71   2HG   GLU   7           HG1      GLU   7  56.715 -10.398   1.657
   72    H    GLU   8           HN       GLU   8  60.115  -8.888  -0.182
   73    HA   GLU   8           HA       GLU   8  60.800 -10.923   1.771
   74   1HB   GLU   8           HB2      GLU   8  62.963 -10.929   0.698
   75   2HB   GLU   8           HB1      GLU   8  61.755 -10.735  -0.572
   76   1HG   GLU   8           HG2      GLU   8  62.123  -8.281  -0.556
   77   2HG   GLU   8           HG1      GLU   8  63.337  -8.491   0.718
   78    H    ILE   9           HN       ILE   9  61.712  -7.501   1.273
   79    HA   ILE   9           HA       ILE   9  63.372  -7.403   3.628
   80    HB   ILE   9           HB       ILE   9  63.355  -5.812   1.569
   81   1HG1  ILE   9           HG12     ILE   9  64.878  -5.430   3.385
   82   2HG1  ILE   9           HG11     ILE   9  64.086  -3.888   3.060
   83   1HG2  ILE   9           HG22     ILE   9  60.938  -5.240   1.784
   84   2HG2  ILE   9           HG21     ILE   9  61.291  -4.444   3.318
   85   3HG2  ILE   9           HG23     ILE   9  61.979  -3.817   1.819
   86   1HD1  ILE   9           HD11     ILE   9  62.377  -4.631   4.866
   87   2HD1  ILE   9           HD13     ILE   9  63.606  -5.805   5.335
   88   3HD1  ILE   9           HD12     ILE   9  63.962  -4.080   5.406
   89    H    ALA  10           HN       ALA  10  60.036  -6.449   2.917
   90    HA   ALA  10           HA       ALA  10  59.372  -5.388   5.462
   91   1HB   ALA  10           HB1      ALA  10  57.988  -5.536   3.231
   92   2HB   ALA  10           HB3      ALA  10  57.422  -7.063   3.907
   93   3HB   ALA  10           HB2      ALA  10  57.141  -5.554   4.779
   94    H    ALA  11           HN       ALA  11  59.245  -8.702   4.193
   95    HA   ALA  11           HA       ALA  11  58.246  -9.862   6.637
   96   1HB   ALA  11           HB1      ALA  11  58.381 -10.811   4.160
   97   2HB   ALA  11           HB3      ALA  11  59.923 -11.447   4.732
   98   3HB   ALA  11           HB2      ALA  11  58.427 -11.898   5.548
   99    H    LYS  12           HN       LYS  12  61.445  -8.980   5.460
  100    HA   LYS  12           HA       LYS  12  62.713 -10.562   7.607
  101   1HB   LYS  12           HB2      LYS  12  64.765 -10.118   6.605
  102   2HB   LYS  12           HB1      LYS  12  63.687 -10.048   5.215
  103   1HG   LYS  12           HG2      LYS  12  64.549  -8.001   4.827
  104   2HG   LYS  12           HG1      LYS  12  63.620  -7.452   6.222
  105   1HD   LYS  12           HD2      LYS  12  65.719  -6.803   6.915
  106   2HD   LYS  12           HD1      LYS  12  65.742  -8.461   7.516
  107   1HE   LYS  12           HE2      LYS  12  67.789  -8.150   6.304
  108   2HE   LYS  12           HE1      LYS  12  66.745  -9.137   5.282
  109   1HZ   LYS  12           HZ3      LYS  12  66.605  -6.227   4.996
  110   2HZ   LYS  12           HZ2      LYS  12  67.959  -7.025   4.350
  111   3HZ   LYS  12           HZ1      LYS  12  66.395  -7.441   3.830
  112    H    TYR  13           HN       TYR  13  60.896  -8.685   8.589
  113    HA   TYR  13           HA       TYR  13  62.709  -6.660   9.830
  114   1HB   TYR  13           HB2      TYR  13  59.788  -6.635   9.144
  115   2HB   TYR  13           HB1      TYR  13  60.379  -5.639  10.469
  116    HD1  TYR  13           HD1      TYR  13  63.029  -4.808   9.593
  117    HD2  TYR  13           HD2      TYR  13  59.405  -5.195   7.324
  118    HE1  TYR  13           HE1      TYR  13  63.870  -3.136   7.966
  119    HE2  TYR  13           HE2      TYR  13  60.246  -3.525   5.697
  120    HH   TYR  13           HH       TYR  13  63.058  -1.617   6.307
  121    H    LYS  14           HN       LYS  14  63.023  -6.821  12.013
  122    HA   LYS  14           HA       LYS  14  61.766  -9.079  13.419
  123   1HB   LYS  14           HB2      LYS  14  64.097  -7.305  13.843
  124   2HB   LYS  14           HB1      LYS  14  63.263  -7.805  15.314
  125   1HG   LYS  14           HG2      LYS  14  63.897  -9.982  15.088
  126   2HG   LYS  14           HG1      LYS  14  63.698  -9.959  13.336
  127   1HD   LYS  14           HD2      LYS  14  65.881  -8.228  14.167
  128   2HD   LYS  14           HD1      LYS  14  66.124  -9.882  14.730
  129   1HE   LYS  14           HE2      LYS  14  66.397 -10.698  12.621
  130   2HE   LYS  14           HE1      LYS  14  65.148  -9.650  11.950
  131   1HZ   LYS  14           HZ1      LYS  14  67.466  -8.224  12.868
  132   2HZ   LYS  14           HZ3      LYS  14  67.816  -9.322  11.624
  133   3HZ   LYS  14           HZ2      LYS  14  66.642  -8.117  11.386
  134    H    HIS  15           HN       HIS  15  59.852  -7.199  12.724
  135    HA   HIS  15           HA       HIS  15  58.777  -6.500  15.335
  136   1HB   HIS  15           HB2      HIS  15  60.351  -4.554  13.979
  137   2HB   HIS  15           HB1      HIS  15  58.668  -4.046  13.850
  138    HD1  HIS  15           HD1      HIS  15  61.431  -3.705  16.055
  139    HD2  HIS  15           HD2      HIS  15  57.361  -4.399  16.637
  140    HE1  HIS  15           HE1      HIS  15  60.931  -3.072  18.457
  141    H    SER  16           HN       SER  16  56.844  -7.499  14.870
  142    HA   SER  16           HA       SER  16  55.530  -7.849  12.483
  143   1HB   SER  16           HB2      SER  16  54.813  -7.979  15.204
  144   2HB   SER  16           HB1      SER  16  53.560  -7.021  14.419
  145    HG   SER  16           HG       SER  16  53.072  -8.688  13.133
  146    H    VAL  17           HN       VAL  17  55.793  -4.706  14.120
  147    HA   VAL  17           HA       VAL  17  53.658  -3.520  12.527
  148    HB   VAL  17           HB       VAL  17  55.763  -2.319  14.342
  149   1HG1  VAL  17           HG12     VAL  17  53.457  -1.038  12.850
  150   2HG1  VAL  17           HG11     VAL  17  54.310  -0.264  14.186
  151   3HG1  VAL  17           HG13     VAL  17  55.170  -0.649  12.694
  152   1HG2  VAL  17           HG21     VAL  17  53.931  -3.746  15.345
  153   2HG2  VAL  17           HG23     VAL  17  53.932  -2.073  15.903
  154   3HG2  VAL  17           HG22     VAL  17  52.763  -2.598  14.690
  155    H    VAL  18           HN       VAL  18  57.207  -3.616  12.353
  156    HA   VAL  18           HA       VAL  18  57.609  -1.594  10.416
  157    HB   VAL  18           HB       VAL  18  59.083  -4.234  10.485
  158   1HG1  VAL  18           HG11     VAL  18  59.538  -2.579   8.630
  159   2HG1  VAL  18           HG13     VAL  18  60.060  -1.441   9.872
  160   3HG1  VAL  18           HG12     VAL  18  60.938  -2.951   9.637
  161   1HG2  VAL  18           HG22     VAL  18  58.708  -2.627  12.679
  162   2HG2  VAL  18           HG21     VAL  18  60.106  -3.669  12.426
  163   3HG2  VAL  18           HG23     VAL  18  60.189  -1.965  11.994
  164    H    LYS  19           HN       LYS  19  56.011  -4.640  10.116
  165    HA   LYS  19           HA       LYS  19  56.469  -5.058   7.309
  166   1HB   LYS  19           HB2      LYS  19  54.534  -6.566   7.407
  167   2HB   LYS  19           HB1      LYS  19  55.576  -6.828   8.805
  168   1HG   LYS  19           HG2      LYS  19  53.545  -6.685   9.884
  169   2HG   LYS  19           HG1      LYS  19  53.979  -4.978   9.875
  170   1HD   LYS  19           HD2      LYS  19  51.869  -4.806   8.964
  171   2HD   LYS  19           HD1      LYS  19  52.776  -5.093   7.480
  172   1HE   LYS  19           HE2      LYS  19  50.995  -6.651   7.386
  173   2HE   LYS  19           HE1      LYS  19  52.382  -7.597   7.929
  174   1HZ   LYS  19           HZ2      LYS  19  51.334  -6.616  10.232
  175   2HZ   LYS  19           HZ1      LYS  19  49.951  -6.966   9.310
  176   3HZ   LYS  19           HZ3      LYS  19  51.090  -8.183   9.625
  177    H    LYS  20           HN       LYS  20  53.950  -3.317   9.131
  178    HA   LYS  20           HA       LYS  20  52.407  -2.574   6.816
  179   1HB   LYS  20           HB2      LYS  20  51.256  -2.365   8.864
  180   2HB   LYS  20           HB1      LYS  20  52.604  -1.536   9.637
  181   1HG   LYS  20           HG2      LYS  20  51.835   0.481   8.979
  182   2HG   LYS  20           HG1      LYS  20  51.685  -0.057   7.304
  183   1HD   LYS  20           HD2      LYS  20  49.473   0.523   8.027
  184   2HD   LYS  20           HD1      LYS  20  49.539  -1.240   8.008
  185   1HE   LYS  20           HE2      LYS  20  48.481  -0.338  10.083
  186   2HE   LYS  20           HE1      LYS  20  49.925  -1.294  10.415
  187   1HZ   LYS  20           HZ1      LYS  20  50.518   1.466   9.953
  188   2HZ   LYS  20           HZ3      LYS  20  49.460   1.253  11.261
  189   3HZ   LYS  20           HZ2      LYS  20  50.965   0.465  11.251
  190    H    CYS  21           HN       CYS  21  54.906  -0.935   8.730
  191    HA   CYS  21           HA       CYS  21  55.034   1.522   7.396
  192   1HB   CYS  21           HB2      CYS  21  57.226  -0.185   8.600
  193   2HB   CYS  21           HB1      CYS  21  57.483   1.472   8.059
  194    H    CYS  22           HN       CYS  22  56.847  -1.459   6.586
  195    HA   CYS  22           HA       CYS  22  57.946  -0.334   4.154
  196   1HB   CYS  22           HB2      CYS  22  59.148  -2.169   5.087
  197   2HB   CYS  22           HB1      CYS  22  57.695  -3.156   5.222
  198    H    TYR  23           HN       TYR  23  54.966  -1.898   5.055
  199    HA   TYR  23           HA       TYR  23  54.112  -2.829   2.520
  200   1HB   TYR  23           HB2      TYR  23  52.942  -2.364   5.080
  201   2HB   TYR  23           HB1      TYR  23  51.866  -1.724   3.850
  202    HD1  TYR  23           HD2      TYR  23  51.698  -3.268   1.660
  203    HD2  TYR  23           HD1      TYR  23  52.726  -4.570   5.612
  204    HE1  TYR  23           HE2      TYR  23  51.009  -5.578   1.070
  205    HE2  TYR  23           HE1      TYR  23  52.050  -6.847   5.024
  206    HH   TYR  23           HH       TYR  23  51.334  -7.822   1.777
  207    H    ASP  24           HN       ASP  24  53.431   0.305   4.106
  208    HA   ASP  24           HA       ASP  24  52.278   1.502   1.765
  209   1HB   ASP  24           HB2      ASP  24  53.699   3.110   3.870
  210   2HB   ASP  24           HB1      ASP  24  52.217   3.492   3.001
  211    H    GLY  25           HN       GLY  25  55.548   1.605   3.190
  212   1HA   GLY  25           HA2      GLY  25  56.867   3.365   1.543
  213   2HA   GLY  25           HA1      GLY  25  57.606   1.839   2.040
  214    H    ALA  26           HN       ALA  26  56.382  -0.092   0.704
  215    HA   ALA  26           HA       ALA  26  57.216   0.203  -2.021
  216   1HB   ALA  26           HB1      ALA  26  56.295  -1.900  -0.348
  217   2HB   ALA  26           HB3      ALA  26  55.238  -1.871  -1.760
  218   3HB   ALA  26           HB2      ALA  26  56.982  -2.037  -1.967
  219    H    CYS  27           HN       CYS  27  54.049   0.464  -0.426
  220    HA   CYS  27           HA       CYS  27  52.672   0.899  -2.984
  221   1HB   CYS  27           HB2      CYS  27  51.716   1.190  -0.121
  222   2HB   CYS  27           HB1      CYS  27  50.685   1.296  -1.549
  223    HG   CYS  27           HG       CYS  27  51.941  -1.301  -0.430
  224    H    VAL  28           HN       VAL  28  54.792   2.769  -1.534
  225    HA   VAL  28           HA       VAL  28  53.969   5.229  -0.772
  226    HB   VAL  28           HB       VAL  28  56.293   4.946  -1.207
  227   1HG1  VAL  28           HG11     VAL  28  55.424   3.501  -3.428
  228   2HG1  VAL  28           HG13     VAL  28  56.262   4.887  -4.125
  229   3HG1  VAL  28           HG12     VAL  28  57.102   3.826  -2.994
  230   1HG2  VAL  28           HG23     VAL  28  55.021   7.193  -2.013
  231   2HG2  VAL  28           HG22     VAL  28  56.771   7.002  -2.119
  232   3HG2  VAL  28           HG21     VAL  28  55.765   6.718  -3.540
  233    H    ASN  29           HN       ASN  29  53.149   7.151  -1.789
  234    HA   ASN  29           HA       ASN  29  51.121   6.775  -3.756
  235   1HB   ASN  29           HB2      ASN  29  51.340   9.347  -3.971
  236   2HB   ASN  29           HB1      ASN  29  50.910   8.700  -2.385
  237   1HD2  ASN  29           HD22     ASN  29  54.536  10.503  -2.915
  238   2HD2  ASN  29           HD21     ASN  29  53.530  10.196  -4.247
  239    H    ASN  30           HN       ASN  30  51.449   8.675  -5.722
  240    HA   ASN  30           HA       ASN  30  53.512   7.396  -7.404
  241   1HB   ASN  30           HB2      ASN  30  52.492   8.904  -9.189
  242   2HB   ASN  30           HB1      ASN  30  51.392   7.717  -8.487
  243   1HD2  ASN  30           HD22     ASN  30  50.824  11.700  -7.711
  244   2HD2  ASN  30           HD21     ASN  30  52.280  11.175  -8.404
  245    H    ASP  31           HN       ASP  31  54.575   8.928  -5.276
  246    HA   ASP  31           HA       ASP  31  56.221  10.807  -6.797
  247   1HB   ASP  31           HB2      ASP  31  54.113  12.094  -6.139
  248   2HB   ASP  31           HB1      ASP  31  54.643  11.917  -4.467
  249    H    GLU  32           HN       GLU  32  58.181  11.213  -5.739
  250    HA   GLU  32           HA       GLU  32  59.364   9.411  -4.073
  251   1HB   GLU  32           HB2      GLU  32  59.735  12.418  -3.982
  252   2HB   GLU  32           HB1      GLU  32  60.838  11.260  -3.236
  253   1HG   GLU  32           HG2      GLU  32  60.112  10.884  -6.117
  254   2HG   GLU  32           HG1      GLU  32  61.275  12.143  -5.700
  255    H    THR  33           HN       THR  33  58.268  12.471  -2.551
  256    HA   THR  33           HA       THR  33  58.321  11.704   0.100
  257    HB   THR  33           HB       THR  33  56.128  13.194   0.238
  258    HG1  THR  33           HG1      THR  33  56.072  14.527  -1.656
  259   1HG2  THR  33           HG21     THR  33  58.951  13.708  -0.001
  260   2HG2  THR  33           HG23     THR  33  58.047  15.027  -0.744
  261   3HG2  THR  33           HG22     THR  33  57.746  14.589   0.937
  262    H    CYS  34           HN       CYS  34  57.787   9.483   0.301
  263    HA   CYS  34           HA       CYS  34  55.146   8.497  -0.443
  264   1HB   CYS  34           HB2      CYS  34  56.166   6.758   1.538
  265   2HB   CYS  34           HB1      CYS  34  56.159   6.501  -0.192
  266    H    GLU  35           HN       GLU  35  56.293   7.957   2.852
  267    HA   GLU  35           HA       GLU  35  53.736   8.534   3.975
  268   1HB   GLU  35           HB2      GLU  35  56.139   7.564   4.974
  269   2HB   GLU  35           HB1      GLU  35  55.955   9.111   5.801
  270   1HG   GLU  35           HG2      GLU  35  53.823   6.970   5.632
  271   2HG   GLU  35           HG1      GLU  35  54.860   7.232   7.028
  272    H    GLN  36           HN       GLN  36  56.497  10.474   3.142
  273    HA   GLN  36           HA       GLN  36  55.898  12.884   4.503
  274   1HB   GLN  36           HB2      GLN  36  57.009  12.448   1.708
  275   2HB   GLN  36           HB1      GLN  36  56.992  14.007   2.533
  276   1HG   GLN  36           HG2      GLN  36  58.951  13.442   3.482
  277   2HG   GLN  36           HG1      GLN  36  58.087  12.200   4.388
  278   1HE2  GLN  36           HE22     GLN  36  60.716  11.054   1.604
  279   2HE2  GLN  36           HE21     GLN  36  60.631  12.631   2.224
  280    H    ARG  37           HN       ARG  37  54.766  11.612   1.358
  281    HA   ARG  37           HA       ARG  37  52.907  13.725   0.817
  282   1HB   ARG  37           HB2      ARG  37  53.261  10.899  -0.066
  283   2HB   ARG  37           HB1      ARG  37  51.654  11.594  -0.279
  284   1HG   ARG  37           HG2      ARG  37  54.208  12.915  -1.235
  285   2HG   ARG  37           HG1      ARG  37  53.161  11.935  -2.260
  286   1HD   ARG  37           HD2      ARG  37  51.581  13.878  -0.828
  287   2HD   ARG  37           HD1      ARG  37  52.891  14.687  -1.688
  288    HE   ARG  37           HE       ARG  37  52.055  13.485  -3.757
  289   1HH1  ARG  37           HH12     ARG  37  50.102  15.083  -1.567
  290   2HH1  ARG  37           HH11     ARG  37  48.601  14.474  -2.180
  291   1HH2  ARG  37           HH21     ARG  37  50.094  12.186  -4.314
  292   2HH2  ARG  37           HH22     ARG  37  48.596  12.833  -3.735
  293    H    ALA  38           HN       ALA  38  52.765  10.772   2.759
  294    HA   ALA  38           HA       ALA  38  50.064  10.601   3.425
  295   1HB   ALA  38           HB2      ALA  38  52.124   9.267   4.368
  296   2HB   ALA  38           HB1      ALA  38  52.130  10.505   5.620
  297   3HB   ALA  38           HB3      ALA  38  50.714   9.482   5.399
  298    H    ALA  39           HN       ALA  39  52.372  12.345   5.483
  299    HA   ALA  39           HA       ALA  39  51.090  14.872   5.427
  300   1HB   ALA  39           HB3      ALA  39  50.118  13.043   7.647
  301   2HB   ALA  39           HB2      ALA  39  49.885  14.791   7.630
  302   3HB   ALA  39           HB1      ALA  39  49.130  13.787   6.391
  303    H    ARG  40           HN       ARG  40  52.600  12.455   7.468
  304    HA   ARG  40           HA       ARG  40  55.009  13.897   7.903
  305   1HB   ARG  40           HB2      ARG  40  52.793  14.608   9.684
  306   2HB   ARG  40           HB1      ARG  40  54.205  14.008  10.555
  307   1HG   ARG  40           HG2      ARG  40  55.610  15.617   9.192
  308   2HG   ARG  40           HG1      ARG  40  54.106  16.318   8.600
  309   1HD   ARG  40           HD2      ARG  40  54.955  17.582  10.537
  310   2HD   ARG  40           HD1      ARG  40  53.417  16.809  10.917
  311    HE   ARG  40           HE       ARG  40  54.568  15.320  12.391
  312   1HH1  ARG  40           HH21     ARG  40  56.939  14.642  10.774
  313   2HH1  ARG  40           HH22     ARG  40  58.223  15.452  11.608
  314   1HH2  ARG  40           HH12     ARG  40  56.104  17.543  13.384
  315   2HH2  ARG  40           HH11     ARG  40  57.750  17.095  13.086
  316    H    ILE  41           HN       ILE  41  56.203  12.026   7.939
  317    HA   ILE  41           HA       ILE  41  55.325   9.497   8.689
  318    HB   ILE  41           HB       ILE  41  57.570   9.934   7.668
  319   1HG1  ILE  41           HG12     ILE  41  58.678   8.119   8.925
  320   2HG1  ILE  41           HG11     ILE  41  57.524   8.333  10.240
  321   1HG2  ILE  41           HG21     ILE  41  58.019  11.783   9.465
  322   2HG2  ILE  41           HG23     ILE  41  58.565  10.436  10.461
  323   3HG2  ILE  41           HG22     ILE  41  59.359  10.773   8.925
  324   1HD1  ILE  41           HD12     ILE  41  56.573   7.837   7.424
  325   2HD1  ILE  41           HD11     ILE  41  56.997   6.496   8.487
  326   3HD1  ILE  41           HD13     ILE  41  55.699   7.602   8.936
  327    H    SER  42           HN       SER  42  54.044   9.361  10.433
  328    HA   SER  42           HA       SER  42  55.455   9.731  12.980
  329   1HB   SER  42           HB2      SER  42  53.824  11.046  13.957
  330   2HB   SER  42           HB1      SER  42  53.756  11.638  12.294
  331    HG   SER  42           HG       SER  42  51.989  10.341  11.933
  332    H    LEU  43           HN       LEU  43  55.362   7.352  11.917
  333    HA   LEU  43           HA       LEU  43  53.139   6.050  13.369
  334   1HB   LEU  43           HB2      LEU  43  54.544   5.350  10.821
  335   2HB   LEU  43           HB1      LEU  43  53.959   4.028  11.831
  336    HG   LEU  43           HG       LEU  43  51.880   5.953  11.735
  337   1HD1  LEU  43           HD12     LEU  43  53.109   5.339   9.032
  338   2HD1  LEU  43           HD11     LEU  43  51.479   5.976   9.250
  339   3HD1  LEU  43           HD13     LEU  43  52.875   6.932   9.750
  340   1HD2  LEU  43           HD23     LEU  43  51.844   3.394  11.882
  341   2HD2  LEU  43           HD22     LEU  43  50.623   4.127  10.841
  342   3HD2  LEU  43           HD21     LEU  43  52.062   3.393  10.131
  343    H    GLY  44           HN       GLY  44  56.421   6.712  13.360
  344   1HA   GLY  44           HA2      GLY  44  57.314   5.804  15.674
  345   2HA   GLY  44           HA1      GLY  44  57.124   4.243  14.874
  346    HA   PRO  45           HA       PRO  45  61.356   6.022  13.770
  347   1HB   PRO  45           HB2      PRO  45  62.816   4.197  15.149
  348   2HB   PRO  45           HB1      PRO  45  62.223   5.695  15.875
  349   1HG   PRO  45           HG2      PRO  45  61.271   2.922  16.263
  350   2HG   PRO  45           HG1      PRO  45  61.250   4.292  17.382
  351   1HD   PRO  45           HD2      PRO  45  59.072   3.334  15.925
  352   2HD   PRO  45           HD1      PRO  45  59.155   4.889  16.753
  353    H    ARG  46           HN       ARG  46  60.671   2.544  14.333
  354    HA   ARG  46           HA       ARG  46  62.254   1.528  12.234
  355   1HB   ARG  46           HB2      ARG  46  61.179  -0.504  12.596
  356   2HB   ARG  46           HB1      ARG  46  60.832   0.322  14.110
  357   1HG   ARG  46           HG2      ARG  46  58.949   0.350  11.732
  358   2HG   ARG  46           HG1      ARG  46  58.836  -0.811  13.050
  359   1HD   ARG  46           HD2      ARG  46  58.962   2.096  13.742
  360   2HD   ARG  46           HD1      ARG  46  57.449   1.450  13.112
  361    HE   ARG  46           HE       ARG  46  58.157  -0.348  15.094
  362   1HH1  ARG  46           HH21     ARG  46  56.272   2.314  14.844
  363   2HH1  ARG  46           HH22     ARG  46  56.416   2.839  16.488
  364   1HH2  ARG  46           HH12     ARG  46  58.993   0.645  17.241
  365   2HH2  ARG  46           HH11     ARG  46  57.957   1.894  17.846
  366    H    CYS  47           HN       CYS  47  59.177   3.144  12.159
  367    HA   CYS  47           HA       CYS  47  58.328   2.352   9.508
  368   1HB   CYS  47           HB2      CYS  47  57.325   3.930  11.600
  369   2HB   CYS  47           HB1      CYS  47  57.575   5.063  10.266
  370    H    ILE  48           HN       ILE  48  59.685   5.441  10.639
  371    HA   ILE  48           HA       ILE  48  60.051   6.806   8.348
  372    HB   ILE  48           HB       ILE  48  61.296   6.759  10.902
  373   1HG1  ILE  48           HG12     ILE  48  61.998   9.133   9.590
  374   2HG1  ILE  48           HG11     ILE  48  60.498   8.611   8.820
  375   1HG2  ILE  48           HG22     ILE  48  63.242   6.974   8.607
  376   2HG2  ILE  48           HG21     ILE  48  63.543   7.731  10.171
  377   3HG2  ILE  48           HG23     ILE  48  63.370   5.981  10.058
  378   1HD1  ILE  48           HD11     ILE  48  60.765   8.578  11.820
  379   2HD1  ILE  48           HD13     ILE  48  60.334  10.065  10.975
  380   3HD1  ILE  48           HD12     ILE  48  59.299   8.643  10.843
  381    H    LYS  49           HN       LYS  49  62.586   4.452   9.380
  382    HA   LYS  49           HA       LYS  49  63.728   4.529   6.684
  383   1HB   LYS  49           HB2      LYS  49  64.529   3.547   9.330
  384   2HB   LYS  49           HB1      LYS  49  65.027   2.495   8.002
  385   1HG   LYS  49           HG2      LYS  49  66.011   4.459   6.842
  386   2HG   LYS  49           HG1      LYS  49  65.570   5.471   8.218
  387   1HD   LYS  49           HD2      LYS  49  66.913   3.856   9.668
  388   2HD   LYS  49           HD1      LYS  49  67.538   3.176   8.164
  389   1HE   LYS  49           HE2      LYS  49  67.874   5.877   7.752
  390   2HE   LYS  49           HE1      LYS  49  68.191   5.725   9.481
  391   1HZ   LYS  49           HZ2      LYS  49  69.433   3.976   7.433
  392   2HZ   LYS  49           HZ1      LYS  49  70.164   5.394   8.018
  393   3HZ   LYS  49           HZ3      LYS  49  69.851   4.105   9.074
  394    H    ALA  50           HN       ALA  50  61.486   2.434   8.377
  395    HA   ALA  50           HA       ALA  50  62.001   0.125   6.714
  396   1HB   ALA  50           HB3      ALA  50  59.555   0.879   8.344
  397   2HB   ALA  50           HB2      ALA  50  59.818  -0.694   7.589
  398   3HB   ALA  50           HB1      ALA  50  60.887  -0.144   8.880
  399    H    PHE  51           HN       PHE  51  59.292   2.414   6.849
  400    HA   PHE  51           HA       PHE  51  58.268   1.667   4.325
  401   1HB   PHE  51           HB2      PHE  51  56.631   3.194   4.731
  402   2HB   PHE  51           HB1      PHE  51  57.264   3.119   6.364
  403    HD1  PHE  51           HD2      PHE  51  57.550   5.014   3.139
  404    HD2  PHE  51           HD1      PHE  51  58.164   5.039   7.376
  405    HE1  PHE  51           HE2      PHE  51  58.104   7.434   3.053
  406    HE2  PHE  51           HE1      PHE  51  58.712   7.444   7.287
  407    HZ   PHE  51           HZ       PHE  51  58.680   8.647   5.143
  408    H    THR  52           HN       THR  52  60.311   4.423   5.352
  409    HA   THR  52           HA       THR  52  60.455   5.626   2.794
  410    HB   THR  52           HB       THR  52  62.583   5.533   4.951
  411    HG1  THR  52           HG1      THR  52  61.032   7.767   4.375
  412   1HG2  THR  52           HG23     THR  52  63.406   6.133   2.645
  413   2HG2  THR  52           HG22     THR  52  62.284   7.494   2.666
  414   3HG2  THR  52           HG21     THR  52  63.597   7.416   3.841
  415    H    GLU  53           HN       GLU  53  62.401   3.052   4.217
  416    HA   GLU  53           HA       GLU  53  64.274   2.756   2.092
  417   1HB   GLU  53           HB2      GLU  53  64.780   1.816   4.235
  418   2HB   GLU  53           HB1      GLU  53  63.289   0.880   4.212
  419   1HG   GLU  53           HG2      GLU  53  65.077  -0.630   3.658
  420   2HG   GLU  53           HG1      GLU  53  64.166  -0.327   2.180
  421    H    CYS  54           HN       CYS  54  61.191   1.130   2.765
  422    HA   CYS  54           HA       CYS  54  61.385  -0.649   0.482
  423   1HB   CYS  54           HB2      CYS  54  59.293   0.072   2.496
  424   2HB   CYS  54           HB1      CYS  54  58.783  -0.729   1.010
  425    H    CYS  55           HN       CYS  55  60.191   2.542   1.069
  426    HA   CYS  55           HA       CYS  55  58.695   2.687  -1.440
  427   1HB   CYS  55           HB2      CYS  55  57.655   4.085   0.055
  428   2HB   CYS  55           HB1      CYS  55  59.126   4.368   0.963
  429    H    VAL  56           HN       VAL  56  61.907   3.367  -0.289
  430    HA   VAL  56           HA       VAL  56  62.576   5.069  -2.589
  431    HB   VAL  56           HB       VAL  56  64.374   3.706  -0.545
  432   1HG1  VAL  56           HG13     VAL  56  64.849   5.508  -2.871
  433   2HG1  VAL  56           HG12     VAL  56  65.816   5.782  -1.422
  434   3HG1  VAL  56           HG11     VAL  56  65.857   4.213  -2.225
  435   1HG2  VAL  56           HG21     VAL  56  62.580   5.802  -0.147
  436   2HG2  VAL  56           HG23     VAL  56  63.963   5.416   0.876
  437   3HG2  VAL  56           HG22     VAL  56  64.122   6.614  -0.408
  438    H    VAL  57           HN       VAL  57  63.254   1.771  -1.474
  439    HA   VAL  57           HA       VAL  57  64.722   1.005  -3.817
  440    HB   VAL  57           HB       VAL  57  64.194  -1.302  -3.084
  441   1HG1  VAL  57           HG13     VAL  57  65.288   0.792  -1.316
  442   2HG1  VAL  57           HG12     VAL  57  64.819  -0.688  -0.481
  443   3HG1  VAL  57           HG11     VAL  57  65.995  -0.751  -1.795
  444   1HG2  VAL  57           HG23     VAL  57  62.348   0.154  -1.177
  445   2HG2  VAL  57           HG22     VAL  57  61.904  -1.050  -2.384
  446   3HG2  VAL  57           HG21     VAL  57  62.826  -1.530  -0.960
  447    H    ALA  58           HN       ALA  58  61.370   0.892  -2.751
  448    HA   ALA  58           HA       ALA  58  60.269  -0.264  -5.124
  449   1HB   ALA  58           HB2      ALA  58  59.141   1.607  -3.022
  450   2HB   ALA  58           HB1      ALA  58  58.166   0.955  -4.339
  451   3HB   ALA  58           HB3      ALA  58  58.879  -0.133  -3.148
  452    H    SER  59           HN       SER  59  61.367   2.866  -4.154
  453    HA   SER  59           HA       SER  59  60.132   4.501  -6.117
  454   1HB   SER  59           HB2      SER  59  61.571   5.107  -4.050
  455   2HB   SER  59           HB1      SER  59  62.922   5.009  -5.173
  456    HG   SER  59           HG       SER  59  60.674   6.718  -5.201
  457    H    GLN  60           HN       GLN  60  63.301   2.909  -6.104
  458    HA   GLN  60           HA       GLN  60  63.989   3.679  -8.799
  459   1HB   GLN  60           HB2      GLN  60  65.182   2.270  -6.600
  460   2HB   GLN  60           HB1      GLN  60  65.356   1.312  -8.072
  461   1HG   GLN  60           HG2      GLN  60  66.595   2.964  -9.156
  462   2HG   GLN  60           HG1      GLN  60  65.901   4.257  -8.171
  463   1HE2  GLN  60           HE22     GLN  60  68.045   3.232  -5.305
  464   2HE2  GLN  60           HE21     GLN  60  66.378   3.409  -5.575
  465    H    LEU  61           HN       LEU  61  62.274   1.012  -7.356
  466    HA   LEU  61           HA       LEU  61  62.424  -0.759  -9.619
  467   1HB   LEU  61           HB2      LEU  61  60.600  -0.533  -7.227
  468   2HB   LEU  61           HB1      LEU  61  60.386  -1.789  -8.437
  469    HG   LEU  61           HG       LEU  61  62.699  -1.353  -6.586
  470   1HD1  LEU  61           HD12     LEU  61  60.772  -3.599  -7.176
  471   2HD1  LEU  61           HD11     LEU  61  62.269  -3.871  -6.283
  472   3HD1  LEU  61           HD13     LEU  61  61.046  -2.773  -5.642
  473   1HD2  LEU  61           HD21     LEU  61  62.659  -2.586  -9.288
  474   2HD2  LEU  61           HD23     LEU  61  64.004  -1.864  -8.405
  475   3HD2  LEU  61           HD22     LEU  61  63.482  -3.507  -8.029
  476    H    ARG  62           HN       ARG  62  60.287   1.846  -8.597
  477    HA   ARG  62           HA       ARG  62  58.629   1.374 -10.999
  478   1HB   ARG  62           HB2      ARG  62  56.997   2.874 -10.010
  479   2HB   ARG  62           HB1      ARG  62  57.489   1.695  -8.792
  480   1HG   ARG  62           HG2      ARG  62  58.962   3.277  -7.747
  481   2HG   ARG  62           HG1      ARG  62  58.757   4.430  -9.062
  482   1HD   ARG  62           HD2      ARG  62  57.403   4.954  -6.992
  483   2HD   ARG  62           HD1      ARG  62  56.450   4.804  -8.467
  484    HE   ARG  62           HE       ARG  62  56.531   2.808  -6.260
  485   1HH1  ARG  62           HH12     ARG  62  55.839   0.850  -7.827
  486   2HH1  ARG  62           HH11     ARG  62  54.266   1.138  -8.494
  487   1HH2  ARG  62           HH21     ARG  62  54.279   4.524  -7.748
  488   2HH2  ARG  62           HH22     ARG  62  53.385   3.218  -8.450
  489    H    ALA  63           HN       ALA  63  61.307   3.236 -10.107
  490    HA   ALA  63           HA       ALA  63  60.521   5.485 -11.888
  491   1HB   ALA  63           HB1      ALA  63  62.741   5.091  -9.881
  492   2HB   ALA  63           HB3      ALA  63  62.780   6.410 -11.049
  493   3HB   ALA  63           HB2      ALA  63  61.465   6.310  -9.878
  494    H    ASN  64           HN       ASN  64  60.826   3.237 -13.362
  495    HA   ASN  64           HA       ASN  64  62.879   3.902 -15.217
  496   1HB   ASN  64           HB2      ASN  64  63.814   2.410 -12.967
  497   2HB   ASN  64           HB1      ASN  64  63.842   1.344 -14.372
  498   1HD2  ASN  64           HD22     ASN  64  67.054   3.230 -14.386
  499   2HD2  ASN  64           HD21     ASN  64  66.313   2.102 -13.355
  500    H    ILE  65           HN       ILE  65  60.768   1.429 -13.852
  501    HA   ILE  65           HA       ILE  65  60.469   0.267 -16.589
  502    HB   ILE  65           HB       ILE  65  59.180  -1.517 -15.015
  503   1HG1  ILE  65           HG12     ILE  65  59.848  -0.048 -13.010
  504   2HG1  ILE  65           HG11     ILE  65  60.214  -1.769 -12.890
  505   1HG2  ILE  65           HG21     ILE  65  62.174  -1.375 -15.472
  506   2HG2  ILE  65           HG23     ILE  65  61.272  -2.837 -15.069
  507   3HG2  ILE  65           HG22     ILE  65  60.984  -2.018 -16.606
  508   1HD1  ILE  65           HD11     ILE  65  62.352  -0.216 -14.170
  509   2HD1  ILE  65           HD13     ILE  65  62.035   0.273 -12.506
  510   3HD1  ILE  65           HD12     ILE  65  62.450  -1.402 -12.868
  511    H    SER  66           HN       SER  66  58.007  -0.928 -16.342
  512    HA   SER  66           HA       SER  66  55.953   0.719 -15.216
  513   1HB   SER  66           HB2      SER  66  56.851   2.264 -17.011
  514   2HB   SER  66           HB1      SER  66  56.336   1.074 -18.203
  515    HG   SER  66           HG       SER  66  54.888   2.930 -16.916
  516    H    HIS  67           HN       HIS  67  56.473  -2.039 -15.359
  517    HA   HIS  67           HA       HIS  67  53.972  -2.980 -16.567
  518   1HB   HIS  67           HB2      HIS  67  56.062  -3.028 -18.256
  519   2HB   HIS  67           HB1      HIS  67  56.359  -4.550 -17.413
  520    HD1  HIS  67           HD1      HIS  67  54.726  -3.435 -20.315
  521    HD2  HIS  67           HD2      HIS  67  53.562  -5.978 -17.223
  522    HE1  HIS  67           HE1      HIS  67  52.821  -4.837 -21.219
  523    H    LYS  68           HN       LYS  68  55.276  -5.784 -16.499
  524    HA   LYS  68           HA       LYS  68  54.385  -6.674 -14.035
  525   1HB   LYS  68           HB2      LYS  68  56.966  -7.723 -15.206
  526   2HB   LYS  68           HB1      LYS  68  55.720  -8.617 -14.332
  527   1HG   LYS  68           HG2      LYS  68  54.153  -7.884 -16.278
  528   2HG   LYS  68           HG1      LYS  68  55.651  -7.562 -17.152
  529   1HD   LYS  68           HD2      LYS  68  56.371  -9.845 -16.926
  530   2HD   LYS  68           HD1      LYS  68  55.064 -10.205 -15.798
  531   1HE   LYS  68           HE2      LYS  68  54.199 -11.052 -17.792
  532   2HE   LYS  68           HE1      LYS  68  53.521  -9.424 -17.779
  533   1HZ   LYS  68           HZ2      LYS  68  56.152  -9.838 -19.003
  534   2HZ   LYS  68           HZ1      LYS  68  54.774 -10.337 -19.864
  535   3HZ   LYS  68           HZ3      LYS  68  54.939  -8.715 -19.397
  536    H    ASP  69           HN       ASP  69  57.675  -5.492 -14.727
  537    HA   ASP  69           HA       ASP  69  58.670  -5.721 -12.085
  538   1HB   ASP  69           HB2      ASP  69  59.452  -4.252 -14.557
  539   2HB   ASP  69           HB1      ASP  69  60.116  -3.659 -13.034
  540    H    MET  70           HN       MET  70  57.561  -2.800 -13.827
  541    HA   MET  70           HA       MET  70  57.422  -1.176 -11.450
  542   1HB   MET  70           HB2      MET  70  57.613  -0.391 -13.876
  543   2HB   MET  70           HB1      MET  70  55.886  -0.713 -14.015
  544   1HG   MET  70           HG2      MET  70  56.989   1.014 -11.804
  545   2HG   MET  70           HG1      MET  70  56.590   1.687 -13.383
  546   1HE   MET  70           HE3      MET  70  55.497   3.091 -11.547
  547   2HE   MET  70           HE2      MET  70  53.781   2.946 -11.175
  548   3HE   MET  70           HE1      MET  70  54.967   2.137 -10.154
  549    H    GLN  71           HN       GLN  71  54.640  -2.029 -13.534
  550    HA   GLN  71           HA       GLN  71  52.586  -1.492 -11.789
  551   1HB   GLN  71           HB2      GLN  71  52.618  -2.635 -14.185
  552   2HB   GLN  71           HB1      GLN  71  52.430  -4.109 -13.234
  553   1HG   GLN  71           HG2      GLN  71  50.616  -2.384 -12.053
  554   2HG   GLN  71           HG1      GLN  71  50.491  -1.975 -13.763
  555   1HE2  GLN  71           HE21     GLN  71  48.968  -3.236 -14.835
  556   2HE2  GLN  71           HE22     GLN  71  48.568  -4.836 -14.439
  557    H    LEU  72           HN       LEU  72  54.623  -4.429 -11.733
  558    HA   LEU  72           HA       LEU  72  53.235  -5.253  -9.213
  559   1HB   LEU  72           HB2      LEU  72  54.337  -6.662 -11.491
  560   2HB   LEU  72           HB1      LEU  72  55.033  -7.265  -9.990
  561    HG   LEU  72           HG       LEU  72  52.717  -7.489  -9.092
  562   1HD1  LEU  72           HD13     LEU  72  52.205  -6.152 -11.672
  563   2HD1  LEU  72           HD12     LEU  72  51.100  -7.474 -11.290
  564   3HD1  LEU  72           HD11     LEU  72  51.264  -6.112 -10.183
  565   1HD2  LEU  72           HD21     LEU  72  53.835  -8.976 -11.379
  566   2HD2  LEU  72           HD23     LEU  72  53.186  -9.586  -9.856
  567   3HD2  LEU  72           HD22     LEU  72  52.094  -9.177 -11.178
  568    H    GLY  73           HN       GLY  73  56.553  -5.816 -10.315
  569   1HA   GLY  73           HA2      GLY  73  57.852  -5.821  -7.895
  570   2HA   GLY  73           HA1      GLY  73  58.603  -5.205  -9.366
  571    H    ARG  74           HN       ARG  74  56.504  -3.077  -9.572
  572    HA   ARG  74           HA       ARG  74  56.201  -0.850  -8.840
  573   1HB   ARG  74           HB2      ARG  74  57.334  -1.801  -6.194
  574   2HB   ARG  74           HB1      ARG  74  56.309  -0.394  -6.476
  575   1HG   ARG  74           HG2      ARG  74  54.770  -2.389  -7.542
  576   2HG   ARG  74           HG1      ARG  74  55.569  -3.241  -6.220
  577   1HD   ARG  74           HD2      ARG  74  54.912  -1.204  -4.768
  578   2HD   ARG  74           HD1      ARG  74  53.800  -0.800  -6.076
  579    HE   ARG  74           HE       ARG  74  53.681  -3.483  -4.767
  580   1HH1  ARG  74           HH21     ARG  74  52.088  -1.352  -6.777
  581   2HH1  ARG  74           HH22     ARG  74  50.562  -1.428  -5.961
  582   1HH2  ARG  74           HH12     ARG  74  51.793  -3.227  -3.264
  583   2HH2  ARG  74           HH11     ARG  74  50.396  -2.489  -3.974
   
  No H/Q in entry =         583
  Start of MODEL    9
    1    H    MET   1           HN       MET   1  55.469 -11.518 -10.218
    2    HA   MET   1           HA       MET   1  56.204 -10.943  -8.052
    3   1HB   MET   1           HB2      MET   1  57.925  -9.304  -9.885
    4   2HB   MET   1           HB1      MET   1  58.113  -9.239  -8.130
    5   1HG   MET   1           HG2      MET   1  59.641 -10.918  -9.034
    6   2HG   MET   1           HG1      MET   1  58.376 -11.721  -8.104
    7   1HE   MET   1           HE1      MET   1  60.444 -12.663 -10.333
    8   2HE   MET   1           HE3      MET   1  59.757 -13.073 -11.910
    9   3HE   MET   1           HE2      MET   1  60.144 -11.398 -11.521
   10    H    LEU   2           HN       LEU   2  53.885  -9.865  -8.011
   11    HA   LEU   2           HA       LEU   2  53.791  -6.986  -8.046
   12   1HB   LEU   2           HB2      LEU   2  51.820  -8.614  -8.212
   13   2HB   LEU   2           HB1      LEU   2  51.963  -8.795  -6.465
   14    HG   LEU   2           HG       LEU   2  51.923  -6.174  -6.456
   15   1HD1  LEU   2           HD11     LEU   2  51.142  -6.908  -9.233
   16   2HD1  LEU   2           HD13     LEU   2  50.180  -5.657  -8.447
   17   3HD1  LEU   2           HD12     LEU   2  51.921  -5.444  -8.633
   18   1HD2  LEU   2           HD23     LEU   2  50.170  -7.681  -5.525
   19   2HD2  LEU   2           HD22     LEU   2  49.481  -6.233  -6.259
   20   3HD2  LEU   2           HD21     LEU   2  49.428  -7.769  -7.123
   21    H    GLN   3           HN       GLN   3  55.608  -8.856  -6.099
   22    HA   GLN   3           HA       GLN   3  56.108  -6.882  -4.135
   23   1HB   GLN   3           HB2      GLN   3  54.922  -7.664  -2.197
   24   2HB   GLN   3           HB1      GLN   3  53.730  -7.528  -3.488
   25   1HG   GLN   3           HG2      GLN   3  54.490 -10.062  -3.919
   26   2HG   GLN   3           HG1      GLN   3  54.837  -9.967  -2.192
   27   1HE2  GLN   3           HE22     GLN   3  51.268 -10.982  -2.534
   28   2HE2  GLN   3           HE21     GLN   3  52.764 -11.658  -2.960
   29    H    LYS   4           HN       LYS   4  57.944  -8.307  -5.413
   30    HA   LYS   4           HA       LYS   4  58.625 -10.680  -3.769
   31   1HB   LYS   4           HB2      LYS   4  58.983  -9.986  -6.510
   32   2HB   LYS   4           HB1      LYS   4  60.583 -10.174  -5.790
   33   1HG   LYS   4           HG2      LYS   4  58.389 -12.200  -5.338
   34   2HG   LYS   4           HG1      LYS   4  59.480 -12.302  -6.720
   35   1HD   LYS   4           HD2      LYS   4  60.660 -13.578  -5.189
   36   2HD   LYS   4           HD1      LYS   4  61.335 -11.985  -4.844
   37   1HE   LYS   4           HE2      LYS   4  60.557 -13.349  -2.819
   38   2HE   LYS   4           HE1      LYS   4  59.949 -11.698  -2.929
   39   1HZ   LYS   4           HZ1      LYS   4  58.392 -13.828  -4.195
   40   2HZ   LYS   4           HZ3      LYS   4  58.352 -13.720  -2.504
   41   3HZ   LYS   4           HZ2      LYS   4  57.864 -12.395  -3.450
   42    H    LYS   5           HN       LYS   5  60.238  -7.661  -4.883
   43    HA   LYS   5           HA       LYS   5  62.449  -8.085  -3.088
   44   1HB   LYS   5           HB2      LYS   5  62.951  -6.981  -5.130
   45   2HB   LYS   5           HB1      LYS   5  61.576  -5.887  -4.968
   46   1HG   LYS   5           HG2      LYS   5  62.820  -4.419  -3.824
   47   2HG   LYS   5           HG1      LYS   5  63.255  -5.677  -2.679
   48   1HD   LYS   5           HD2      LYS   5  64.764  -6.345  -4.889
   49   2HD   LYS   5           HD1      LYS   5  64.816  -4.581  -4.896
   50   1HE   LYS   5           HE2      LYS   5  65.210  -5.067  -2.250
   51   2HE   LYS   5           HE1      LYS   5  65.969  -6.496  -2.952
   52   1HZ   LYS   5           HZ3      LYS   5  66.720  -4.269  -4.467
   53   2HZ   LYS   5           HZ2      LYS   5  66.969  -3.887  -2.831
   54   3HZ   LYS   5           HZ1      LYS   5  67.701  -5.262  -3.505
   55    H    ILE   6           HN       ILE   6  59.371  -6.434  -2.959
   56    HA   ILE   6           HA       ILE   6  60.208  -4.931  -0.542
   57    HB   ILE   6           HB       ILE   6  57.487  -4.924  -1.845
   58   1HG1  ILE   6           HG12     ILE   6  59.530  -4.456  -3.373
   59   2HG1  ILE   6           HG11     ILE   6  58.223  -3.263  -3.354
   60   1HG2  ILE   6           HG22     ILE   6  58.747  -3.577   0.390
   61   2HG2  ILE   6           HG21     ILE   6  58.240  -2.405  -0.825
   62   3HG2  ILE   6           HG23     ILE   6  57.063  -3.521  -0.132
   63   1HD1  ILE   6           HD12     ILE   6  59.491  -1.923  -1.699
   64   2HD1  ILE   6           HD11     ILE   6  60.800  -3.104  -1.758
   65   3HD1  ILE   6           HD13     ILE   6  60.408  -2.148  -3.188
   66    H    GLU   7           HN       GLU   7  58.212  -7.677  -1.474
   67    HA   GLU   7           HA       GLU   7  56.930  -7.891   1.141
   68   1HB   GLU   7           HB2      GLU   7  56.015  -8.868  -1.034
   69   2HB   GLU   7           HB1      GLU   7  57.286 -10.086  -0.922
   70   1HG   GLU   7           HG2      GLU   7  55.933 -11.278   0.418
   71   2HG   GLU   7           HG1      GLU   7  56.094 -10.005   1.627
   72    H    GLU   8           HN       GLU   8  59.870  -8.881  -0.382
   73    HA   GLU   8           HA       GLU   8  60.581 -10.917   1.568
   74   1HB   GLU   8           HB2      GLU   8  62.679 -11.011   0.399
   75   2HB   GLU   8           HB1      GLU   8  61.432 -10.768  -0.826
   76   1HG   GLU   8           HG2      GLU   8  61.885  -8.332  -0.817
   77   2HG   GLU   8           HG1      GLU   8  63.138  -8.589   0.413
   78    H    ILE   9           HN       ILE   9  61.529  -7.522   0.981
   79    HA   ILE   9           HA       ILE   9  63.317  -7.411   3.240
   80    HB   ILE   9           HB       ILE   9  63.141  -5.842   1.154
   81   1HG1  ILE   9           HG12     ILE   9  64.837  -5.489   2.810
   82   2HG1  ILE   9           HG11     ILE   9  64.044  -3.932   2.572
   83   1HG2  ILE   9           HG22     ILE   9  60.723  -5.270   1.740
   84   2HG2  ILE   9           HG21     ILE   9  61.374  -4.306   3.066
   85   3HG2  ILE   9           HG23     ILE   9  61.778  -3.900   1.397
   86   1HD1  ILE   9           HD11     ILE   9  62.507  -4.644   4.530
   87   2HD1  ILE   9           HD13     ILE   9  63.739  -5.861   4.869
   88   3HD1  ILE   9           HD12     ILE   9  64.154  -4.148   4.919
   89    H    ALA  10           HN       ALA  10  59.921  -6.657   2.722
   90    HA   ALA  10           HA       ALA  10  59.394  -5.476   5.271
   91   1HB   ALA  10           HB3      ALA  10  57.875  -5.508   3.217
   92   2HB   ALA  10           HB2      ALA  10  57.458  -7.159   3.674
   93   3HB   ALA  10           HB1      ALA  10  57.085  -5.821   4.761
   94    H    ALA  11           HN       ALA  11  58.956  -8.813   4.080
   95    HA   ALA  11           HA       ALA  11  58.155  -9.895   6.600
   96   1HB   ALA  11           HB1      ALA  11  57.842 -11.060   4.430
   97   2HB   ALA  11           HB3      ALA  11  59.588 -11.291   4.324
   98   3HB   ALA  11           HB2      ALA  11  58.671 -12.074   5.612
   99    H    LYS  12           HN       LYS  12  61.342  -9.210   5.215
  100    HA   LYS  12           HA       LYS  12  62.627 -10.744   7.383
  101   1HB   LYS  12           HB2      LYS  12  64.656 -10.433   6.278
  102   2HB   LYS  12           HB1      LYS  12  63.510 -10.433   4.940
  103   1HG   LYS  12           HG2      LYS  12  64.313  -8.423   4.347
  104   2HG   LYS  12           HG1      LYS  12  63.630  -7.758   5.830
  105   1HD   LYS  12           HD2      LYS  12  65.976  -7.215   5.830
  106   2HD   LYS  12           HD1      LYS  12  65.754  -8.508   7.008
  107   1HE   LYS  12           HE2      LYS  12  67.079  -9.910   5.844
  108   2HE   LYS  12           HE1      LYS  12  66.215  -9.576   4.343
  109   1HZ   LYS  12           HZ1      LYS  12  68.106  -7.609   5.461
  110   2HZ   LYS  12           HZ3      LYS  12  68.668  -8.905   4.523
  111   3HZ   LYS  12           HZ2      LYS  12  67.575  -7.788   3.857
  112    H    TYR  13           HN       TYR  13  60.991  -8.774   8.420
  113    HA   TYR  13           HA       TYR  13  62.931  -6.713   9.368
  114   1HB   TYR  13           HB2      TYR  13  59.954  -6.725   9.031
  115   2HB   TYR  13           HB1      TYR  13  60.661  -5.727  10.294
  116    HD1  TYR  13           HD1      TYR  13  63.171  -4.808   9.200
  117    HD2  TYR  13           HD2      TYR  13  59.391  -5.328   7.232
  118    HE1  TYR  13           HE1      TYR  13  63.812  -3.101   7.520
  119    HE2  TYR  13           HE2      TYR  13  60.034  -3.625   5.552
  120    HH   TYR  13           HH       TYR  13  63.004  -2.675   4.934
  121    H    LYS  14           HN       LYS  14  63.335  -6.562  11.556
  122    HA   LYS  14           HA       LYS  14  62.550  -8.876  13.194
  123   1HB   LYS  14           HB2      LYS  14  64.766  -7.117  13.114
  124   2HB   LYS  14           HB1      LYS  14  63.970  -6.832  14.662
  125   1HG   LYS  14           HG2      LYS  14  64.555  -9.622  13.660
  126   2HG   LYS  14           HG1      LYS  14  65.731  -8.704  14.602
  127   1HD   LYS  14           HD2      LYS  14  64.573  -9.899  16.258
  128   2HD   LYS  14           HD1      LYS  14  63.752  -8.338  16.264
  129   1HE   LYS  14           HE2      LYS  14  61.853  -9.174  15.246
  130   2HE   LYS  14           HE1      LYS  14  62.738 -10.446  14.402
  131   1HZ   LYS  14           HZ1      LYS  14  62.685 -10.559  17.318
  132   2HZ   LYS  14           HZ3      LYS  14  61.244 -10.936  16.507
  133   3HZ   LYS  14           HZ2      LYS  14  62.657 -11.820  16.180
  134    H    HIS  15           HN       HIS  15  60.322  -7.345  12.530
  135    HA   HIS  15           HA       HIS  15  59.193  -6.782  15.098
  136   1HB   HIS  15           HB2      HIS  15  60.693  -4.641  13.932
  137   2HB   HIS  15           HB1      HIS  15  58.984  -4.211  13.869
  138    HD1  HIS  15           HD1      HIS  15  61.289  -3.092  15.896
  139    HD2  HIS  15           HD2      HIS  15  58.209  -5.754  16.791
  140    HE1  HIS  15           HE1      HIS  15  60.925  -2.951  18.399
  141    H    SER  16           HN       SER  16  57.305  -7.784  14.495
  142    HA   SER  16           HA       SER  16  56.073  -8.004  12.052
  143   1HB   SER  16           HB2      SER  16  55.296  -8.514  14.624
  144   2HB   SER  16           HB1      SER  16  54.154  -7.256  14.161
  145    HG   SER  16           HG       SER  16  53.495  -9.428  13.616
  146    H    VAL  17           HN       VAL  17  55.787  -5.096  14.154
  147    HA   VAL  17           HA       VAL  17  53.888  -3.724  12.554
  148    HB   VAL  17           HB       VAL  17  56.072  -2.685  14.376
  149   1HG1  VAL  17           HG11     VAL  17  53.748  -1.228  13.080
  150   2HG1  VAL  17           HG13     VAL  17  54.782  -0.558  14.342
  151   3HG1  VAL  17           HG12     VAL  17  55.461  -0.947  12.761
  152   1HG2  VAL  17           HG23     VAL  17  53.557  -3.949  14.820
  153   2HG2  VAL  17           HG22     VAL  17  54.629  -3.225  16.019
  154   3HG2  VAL  17           HG21     VAL  17  53.373  -2.250  15.256
  155    H    VAL  18           HN       VAL  18  57.456  -3.746  12.374
  156    HA   VAL  18           HA       VAL  18  57.809  -1.707  10.465
  157    HB   VAL  18           HB       VAL  18  59.301  -4.342  10.420
  158   1HG1  VAL  18           HG13     VAL  18  59.910  -1.503   9.613
  159   2HG1  VAL  18           HG12     VAL  18  61.185  -2.695   9.859
  160   3HG1  VAL  18           HG11     VAL  18  59.965  -2.951   8.611
  161   1HG2  VAL  18           HG23     VAL  18  58.976  -2.807  12.678
  162   2HG2  VAL  18           HG22     VAL  18  60.369  -3.835  12.353
  163   3HG2  VAL  18           HG21     VAL  18  60.435  -2.118  11.974
  164    H    LYS  19           HN       LYS  19  56.315  -4.813  10.152
  165    HA   LYS  19           HA       LYS  19  56.606  -5.219   7.345
  166   1HB   LYS  19           HB2      LYS  19  55.584  -6.787   9.154
  167   2HB   LYS  19           HB1      LYS  19  54.083  -5.913   8.844
  168   1HG   LYS  19           HG2      LYS  19  53.849  -7.560   7.254
  169   2HG   LYS  19           HG1      LYS  19  54.792  -6.410   6.304
  170   1HD   LYS  19           HD2      LYS  19  56.071  -8.310   5.988
  171   2HD   LYS  19           HD1      LYS  19  56.833  -7.679   7.447
  172   1HE   LYS  19           HE2      LYS  19  56.325  -9.612   8.482
  173   2HE   LYS  19           HE1      LYS  19  54.619  -9.194   8.327
  174   1HZ   LYS  19           HZ2      LYS  19  55.812 -10.222   5.912
  175   2HZ   LYS  19           HZ1      LYS  19  55.786 -11.338   7.194
  176   3HZ   LYS  19           HZ3      LYS  19  54.341 -10.631   6.657
  177    H    LYS  20           HN       LYS  20  53.944  -3.657   9.169
  178    HA   LYS  20           HA       LYS  20  52.482  -2.774   6.897
  179   1HB   LYS  20           HB2      LYS  20  51.385  -2.639   9.003
  180   2HB   LYS  20           HB1      LYS  20  52.705  -1.716   9.716
  181   1HG   LYS  20           HG2      LYS  20  51.727   0.214   9.092
  182   2HG   LYS  20           HG1      LYS  20  51.737  -0.300   7.403
  183   1HD   LYS  20           HD2      LYS  20  49.442   0.077   7.969
  184   2HD   LYS  20           HD1      LYS  20  49.657  -1.674   7.946
  185   1HE   LYS  20           HE2      LYS  20  48.844  -1.712  10.046
  186   2HE   LYS  20           HE1      LYS  20  50.328  -0.907  10.557
  187   1HZ   LYS  20           HZ2      LYS  20  48.989   1.172   9.648
  188   2HZ   LYS  20           HZ1      LYS  20  47.671   0.202  10.105
  189   3HZ   LYS  20           HZ3      LYS  20  48.845   0.629  11.252
  190    H    CYS  21           HN       CYS  21  55.017  -1.151   8.800
  191    HA   CYS  21           HA       CYS  21  55.055   1.336   7.523
  192   1HB   CYS  21           HB2      CYS  21  57.326  -0.337   8.625
  193   2HB   CYS  21           HB1      CYS  21  57.529   1.331   8.095
  194    H    CYS  22           HN       CYS  22  56.930  -1.562   6.559
  195    HA   CYS  22           HA       CYS  22  57.903  -0.318   4.134
  196   1HB   CYS  22           HB2      CYS  22  59.226  -2.110   4.911
  197   2HB   CYS  22           HB1      CYS  22  57.829  -3.150   5.180
  198    H    TYR  23           HN       TYR  23  54.975  -1.903   5.078
  199    HA   TYR  23           HA       TYR  23  54.098  -2.808   2.519
  200   1HB   TYR  23           HB2      TYR  23  52.948  -2.423   5.146
  201   2HB   TYR  23           HB1      TYR  23  51.815  -1.953   3.893
  202    HD1  TYR  23           HD2      TYR  23  51.586  -3.561   1.849
  203    HD2  TYR  23           HD1      TYR  23  53.200  -4.644   5.669
  204    HE1  TYR  23           HE2      TYR  23  51.150  -5.953   1.349
  205    HE2  TYR  23           HE1      TYR  23  52.772  -6.999   5.170
  206    HH   TYR  23           HH       TYR  23  52.046  -8.493   3.693
  207    H    ASP  24           HN       ASP  24  53.470   0.239   4.270
  208    HA   ASP  24           HA       ASP  24  52.132   1.499   2.047
  209   1HB   ASP  24           HB2      ASP  24  53.582   3.101   4.123
  210   2HB   ASP  24           HB1      ASP  24  51.998   3.382   3.404
  211    H    GLY  25           HN       GLY  25  55.451   1.763   3.375
  212   1HA   GLY  25           HA2      GLY  25  56.597   3.613   1.684
  213   2HA   GLY  25           HA1      GLY  25  57.455   2.146   2.173
  214    H    ALA  26           HN       ALA  26  56.282   0.129   0.889
  215    HA   ALA  26           HA       ALA  26  57.051   0.458  -1.861
  216   1HB   ALA  26           HB3      ALA  26  56.508  -1.697  -0.200
  217   2HB   ALA  26           HB2      ALA  26  55.171  -1.732  -1.350
  218   3HB   ALA  26           HB1      ALA  26  56.835  -1.798  -1.931
  219    H    CYS  27           HN       CYS  27  53.947   0.581  -0.166
  220    HA   CYS  27           HA       CYS  27  52.462   0.894  -2.689
  221   1HB   CYS  27           HB2      CYS  27  51.571   1.086   0.205
  222   2HB   CYS  27           HB1      CYS  27  50.493   1.148  -1.189
  223    HG   CYS  27           HG       CYS  27  50.682  -1.316  -1.459
  224    H    VAL  28           HN       VAL  28  54.511   2.880  -1.350
  225    HA   VAL  28           HA       VAL  28  53.743   5.261  -0.470
  226    HB   VAL  28           HB       VAL  28  55.933   5.169  -1.323
  227   1HG1  VAL  28           HG12     VAL  28  54.597   4.251  -3.852
  228   2HG1  VAL  28           HG11     VAL  28  56.221   4.938  -3.912
  229   3HG1  VAL  28           HG13     VAL  28  55.910   3.494  -2.948
  230   1HG2  VAL  28           HG21     VAL  28  54.316   7.282  -2.038
  231   2HG2  VAL  28           HG23     VAL  28  56.072   7.259  -2.193
  232   3HG2  VAL  28           HG22     VAL  28  55.059   6.846  -3.577
  233    H    ASN  29           HN       ASN  29  52.338   6.930  -0.947
  234    HA   ASN  29           HA       ASN  29  50.186   6.431  -2.789
  235   1HB   ASN  29           HB2      ASN  29  50.958   8.620  -0.926
  236   2HB   ASN  29           HB1      ASN  29  49.804   9.016  -2.202
  237   1HD2  ASN  29           HD22     ASN  29  48.217   7.405   0.947
  238   2HD2  ASN  29           HD21     ASN  29  49.499   8.513   0.858
  239    H    ASN  30           HN       ASN  30  53.242   7.367  -3.593
  240    HA   ASN  30           HA       ASN  30  52.376   8.303  -6.195
  241   1HB   ASN  30           HB2      ASN  30  53.810  10.484  -5.877
  242   2HB   ASN  30           HB1      ASN  30  52.131  10.457  -5.340
  243   1HD2  ASN  30           HD22     ASN  30  55.002  11.157  -2.648
  244   2HD2  ASN  30           HD21     ASN  30  55.250  11.221  -4.324
  245    H    ASP  31           HN       ASP  31  55.352   9.019  -4.322
  246    HA   ASP  31           HA       ASP  31  56.890   6.865  -5.354
  247   1HB   ASP  31           HB2      ASP  31  56.580   7.782  -7.549
  248   2HB   ASP  31           HB1      ASP  31  56.928   9.416  -6.980
  249    H    GLU  32           HN       GLU  32  58.007  10.193  -5.594
  250    HA   GLU  32           HA       GLU  32  60.244   9.814  -3.902
  251   1HB   GLU  32           HB2      GLU  32  58.915  12.074  -5.206
  252   2HB   GLU  32           HB1      GLU  32  59.708  12.511  -3.692
  253   1HG   GLU  32           HG2      GLU  32  61.741  11.209  -4.568
  254   2HG   GLU  32           HG1      GLU  32  60.942  11.240  -6.139
  255    H    THR  33           HN       THR  33  58.032  12.361  -2.910
  256    HA   THR  33           HA       THR  33  58.466  11.797  -0.125
  257    HB   THR  33           HB       THR  33  56.293  13.418  -0.094
  258    HG1  THR  33           HG1      THR  33  57.596  14.229  -2.431
  259   1HG2  THR  33           HG23     THR  33  58.872  13.686   0.520
  260   2HG2  THR  33           HG22     THR  33  58.871  14.659  -0.951
  261   3HG2  THR  33           HG21     THR  33  57.810  15.088   0.392
  262    H    CYS  34           HN       CYS  34  57.780   9.533  -0.058
  263    HA   CYS  34           HA       CYS  34  55.032   8.770  -0.542
  264   1HB   CYS  34           HB2      CYS  34  55.846   6.959   1.351
  265   2HB   CYS  34           HB1      CYS  34  56.087   6.764  -0.377
  266    H    GLU  35           HN       GLU  35  56.340   8.239   2.685
  267    HA   GLU  35           HA       GLU  35  53.928   8.977   3.997
  268   1HB   GLU  35           HB2      GLU  35  56.779   8.938   5.005
  269   2HB   GLU  35           HB1      GLU  35  55.390   9.167   6.056
  270   1HG   GLU  35           HG2      GLU  35  55.266   6.861   4.192
  271   2HG   GLU  35           HG1      GLU  35  56.399   6.727   5.540
  272    H    GLN  36           HN       GLN  36  56.731  10.844   2.975
  273    HA   GLN  36           HA       GLN  36  56.265  13.273   4.341
  274   1HB   GLN  36           HB2      GLN  36  57.487  12.513   1.723
  275   2HB   GLN  36           HB1      GLN  36  57.014  14.203   1.911
  276   1HG   GLN  36           HG2      GLN  36  58.478  12.974   4.190
  277   2HG   GLN  36           HG1      GLN  36  59.409  13.272   2.723
  278   1HE2  GLN  36           HE22     GLN  36  59.663  16.710   3.385
  279   2HE2  GLN  36           HE21     GLN  36  60.282  15.340   2.598
  280    H    ARG  37           HN       ARG  37  54.859  11.952   1.359
  281    HA   ARG  37           HA       ARG  37  53.036  14.149   0.926
  282   1HB   ARG  37           HB2      ARG  37  53.315  11.349  -0.089
  283   2HB   ARG  37           HB1      ARG  37  51.740  12.124  -0.266
  284   1HG   ARG  37           HG2      ARG  37  54.333  13.416  -1.150
  285   2HG   ARG  37           HG1      ARG  37  53.307  12.467  -2.226
  286   1HD   ARG  37           HD2      ARG  37  52.287  14.837  -0.643
  287   2HD   ARG  37           HD1      ARG  37  52.897  14.971  -2.292
  288    HE   ARG  37           HE       ARG  37  50.887  12.915  -2.138
  289   1HH1  ARG  37           HH12     ARG  37  51.080  14.966  -4.318
  290   2HH1  ARG  37           HH11     ARG  37  49.672  15.933  -4.030
  291   1HH2  ARG  37           HH21     ARG  37  49.192  14.748  -0.807
  292   2HH2  ARG  37           HH22     ARG  37  48.605  15.811  -2.043
  293    H    ALA  38           HN       ALA  38  52.954  11.133   2.779
  294    HA   ALA  38           HA       ALA  38  50.264  10.943   3.489
  295   1HB   ALA  38           HB1      ALA  38  52.197   9.483   4.327
  296   2HB   ALA  38           HB3      ALA  38  52.500  10.737   5.529
  297   3HB   ALA  38           HB2      ALA  38  50.965   9.872   5.525
  298    H    ALA  39           HN       ALA  39  52.609  12.590   5.580
  299    HA   ALA  39           HA       ALA  39  51.375  15.135   5.624
  300   1HB   ALA  39           HB3      ALA  39  50.095  13.086   7.364
  301   2HB   ALA  39           HB2      ALA  39  50.397  14.659   8.099
  302   3HB   ALA  39           HB1      ALA  39  49.402  14.540   6.648
  303    H    ARG  40           HN       ARG  40  52.774  12.619   7.628
  304    HA   ARG  40           HA       ARG  40  55.238  13.944   8.118
  305   1HB   ARG  40           HB2      ARG  40  53.033  14.776   9.844
  306   2HB   ARG  40           HB1      ARG  40  54.364  14.067  10.761
  307   1HG   ARG  40           HG2      ARG  40  55.952  15.602   9.732
  308   2HG   ARG  40           HG1      ARG  40  54.689  16.259   8.691
  309   1HD   ARG  40           HD2      ARG  40  53.523  16.591  11.119
  310   2HD   ARG  40           HD1      ARG  40  55.222  16.764  11.562
  311    HE   ARG  40           HE       ARG  40  55.077  18.416   9.415
  312   1HH1  ARG  40           HH12     ARG  40  54.158  18.555  12.610
  313   2HH1  ARG  40           HH11     ARG  40  53.101  19.917  12.445
  314   1HH2  ARG  40           HH21     ARG  40  53.218  19.925   8.979
  315   2HH2  ARG  40           HH22     ARG  40  52.570  20.693  10.390
  316    H    ILE  41           HN       ILE  41  56.351  12.022   8.177
  317    HA   ILE  41           HA       ILE  41  55.329   9.536   8.904
  318    HB   ILE  41           HB       ILE  41  57.607   9.890   7.904
  319   1HG1  ILE  41           HG12     ILE  41  58.605   7.991   9.153
  320   2HG1  ILE  41           HG11     ILE  41  57.382   8.204  10.405
  321   1HG2  ILE  41           HG22     ILE  41  57.992  11.483  10.158
  322   2HG2  ILE  41           HG21     ILE  41  58.935  10.030  10.493
  323   3HG2  ILE  41           HG23     ILE  41  59.242  10.962   9.028
  324   1HD1  ILE  41           HD12     ILE  41  56.539   7.897   7.535
  325   2HD1  ILE  41           HD11     ILE  41  56.932   6.469   8.493
  326   3HD1  ILE  41           HD13     ILE  41  55.628   7.543   9.003
  327    H    SER  42           HN       SER  42  54.015   9.493  10.635
  328    HA   SER  42           HA       SER  42  55.423   9.720  13.198
  329   1HB   SER  42           HB2      SER  42  53.929  11.174  14.178
  330   2HB   SER  42           HB1      SER  42  53.915  11.788  12.523
  331    HG   SER  42           HG       SER  42  52.142  10.133  12.277
  332    H    LEU  43           HN       LEU  43  55.064   7.385  12.038
  333    HA   LEU  43           HA       LEU  43  52.766   6.284  13.541
  334   1HB   LEU  43           HB2      LEU  43  53.957   5.529  10.897
  335   2HB   LEU  43           HB1      LEU  43  53.235   4.258  11.884
  336    HG   LEU  43           HG       LEU  43  51.723   6.813  11.427
  337   1HD1  LEU  43           HD11     LEU  43  52.273   4.634   9.450
  338   2HD1  LEU  43           HD13     LEU  43  50.648   5.318   9.504
  339   3HD1  LEU  43           HD12     LEU  43  52.033   6.359   9.178
  340   1HD2  LEU  43           HD22     LEU  43  51.263   4.141  12.515
  341   2HD2  LEU  43           HD21     LEU  43  50.307   5.609  12.717
  342   3HD2  LEU  43           HD23     LEU  43  50.055   4.579  11.308
  343    H    GLY  44           HN       GLY  44  56.087   6.591  13.416
  344   1HA   GLY  44           HA2      GLY  44  56.860   5.350  15.674
  345   2HA   GLY  44           HA1      GLY  44  56.666   3.948  14.622
  346    HA   PRO  45           HA       PRO  45  60.931   5.936  13.926
  347   1HB   PRO  45           HB2      PRO  45  62.399   4.126  15.319
  348   2HB   PRO  45           HB1      PRO  45  61.711   5.574  16.061
  349   1HG   PRO  45           HG2      PRO  45  60.850   2.755  16.311
  350   2HG   PRO  45           HG1      PRO  45  60.730   4.082  17.474
  351   1HD   PRO  45           HD2      PRO  45  58.653   3.100  15.900
  352   2HD   PRO  45           HD1      PRO  45  58.649   4.636  16.766
  353    H    ARG  46           HN       ARG  46  60.662   2.398  14.450
  354    HA   ARG  46           HA       ARG  46  62.265   1.526  12.355
  355   1HB   ARG  46           HB2      ARG  46  61.261  -0.564  12.598
  356   2HB   ARG  46           HB1      ARG  46  60.842   0.193  14.130
  357   1HG   ARG  46           HG2      ARG  46  59.022   0.235  11.703
  358   2HG   ARG  46           HG1      ARG  46  58.922  -0.981  12.971
  359   1HD   ARG  46           HD2      ARG  46  58.975   1.792  13.967
  360   2HD   ARG  46           HD1      ARG  46  57.556   1.391  13.004
  361    HE   ARG  46           HE       ARG  46  57.724  -0.738  14.729
  362   1HH1  ARG  46           HH21     ARG  46  56.114   2.061  14.778
  363   2HH1  ARG  46           HH22     ARG  46  56.153   2.331  16.488
  364   1HH2  ARG  46           HH12     ARG  46  58.520  -0.132  17.089
  365   2HH2  ARG  46           HH11     ARG  46  57.515   1.088  17.797
  366    H    CYS  47           HN       CYS  47  59.127   2.997  12.201
  367    HA   CYS  47           HA       CYS  47  58.366   2.246   9.527
  368   1HB   CYS  47           HB2      CYS  47  57.352   3.856  11.621
  369   2HB   CYS  47           HB1      CYS  47  57.553   4.930  10.228
  370    H    ILE  48           HN       ILE  48  59.733   5.294  10.749
  371    HA   ILE  48           HA       ILE  48  60.059   6.744   8.495
  372    HB   ILE  48           HB       ILE  48  61.843   6.344  10.862
  373   1HG1  ILE  48           HG12     ILE  48  61.321   8.774  11.115
  374   2HG1  ILE  48           HG11     ILE  48  60.374   8.696   9.631
  375   1HG2  ILE  48           HG21     ILE  48  62.569   7.730   8.302
  376   2HG2  ILE  48           HG23     ILE  48  63.158   8.352   9.842
  377   3HG2  ILE  48           HG22     ILE  48  63.572   6.714   9.337
  378   1HD1  ILE  48           HD13     ILE  48  58.936   6.954  10.672
  379   2HD1  ILE  48           HD12     ILE  48  59.849   7.126  12.169
  380   3HD1  ILE  48           HD11     ILE  48  58.891   8.476  11.561
  381    H    LYS  49           HN       LYS  49  62.662   4.443   9.453
  382    HA   LYS  49           HA       LYS  49  63.754   4.556   6.746
  383   1HB   LYS  49           HB2      LYS  49  64.599   3.553   9.363
  384   2HB   LYS  49           HB1      LYS  49  65.068   2.499   8.029
  385   1HG   LYS  49           HG2      LYS  49  66.828   3.933   7.836
  386   2HG   LYS  49           HG1      LYS  49  65.664   4.941   6.976
  387   1HD   LYS  49           HD2      LYS  49  66.109   6.519   8.534
  388   2HD   LYS  49           HD1      LYS  49  65.154   5.527   9.636
  389   1HE   LYS  49           HE2      LYS  49  67.008   5.279  10.890
  390   2HE   LYS  49           HE1      LYS  49  67.687   4.317   9.577
  391   1HZ   LYS  49           HZ2      LYS  49  68.174   6.700   8.617
  392   2HZ   LYS  49           HZ1      LYS  49  68.148   7.121  10.263
  393   3HZ   LYS  49           HZ3      LYS  49  69.241   5.949   9.706
  394    H    ALA  50           HN       ALA  50  61.539   2.430   8.430
  395    HA   ALA  50           HA       ALA  50  62.035   0.148   6.738
  396   1HB   ALA  50           HB3      ALA  50  59.594   0.904   8.378
  397   2HB   ALA  50           HB2      ALA  50  59.848  -0.665   7.613
  398   3HB   ALA  50           HB1      ALA  50  60.919  -0.132   8.909
  399    H    PHE  51           HN       PHE  51  59.252   2.338   6.940
  400    HA   PHE  51           HA       PHE  51  58.253   1.689   4.401
  401   1HB   PHE  51           HB2      PHE  51  56.635   3.249   4.816
  402   2HB   PHE  51           HB1      PHE  51  57.261   3.131   6.450
  403    HD1  PHE  51           HD2      PHE  51  57.678   5.064   3.252
  404    HD2  PHE  51           HD1      PHE  51  58.121   5.047   7.509
  405    HE1  PHE  51           HE2      PHE  51  58.294   7.471   3.214
  406    HE2  PHE  51           HE1      PHE  51  58.728   7.432   7.467
  407    HZ   PHE  51           HZ       PHE  51  58.813   8.649   5.336
  408    H    THR  52           HN       THR  52  60.295   4.438   5.439
  409    HA   THR  52           HA       THR  52  60.463   5.680   2.928
  410    HB   THR  52           HB       THR  52  62.590   5.443   5.070
  411    HG1  THR  52           HG1      THR  52  60.810   7.538   4.368
  412   1HG2  THR  52           HG23     THR  52  62.481   6.998   2.497
  413   2HG2  THR  52           HG22     THR  52  63.386   7.613   3.880
  414   3HG2  THR  52           HG21     THR  52  63.815   6.059   3.166
  415    H    GLU  53           HN       GLU  53  62.365   3.008   4.219
  416    HA   GLU  53           HA       GLU  53  64.172   2.739   2.034
  417   1HB   GLU  53           HB2      GLU  53  64.717   1.766   4.156
  418   2HB   GLU  53           HB1      GLU  53  63.242   0.804   4.126
  419   1HG   GLU  53           HG2      GLU  53  65.248  -0.529   3.485
  420   2HG   GLU  53           HG1      GLU  53  64.049  -0.452   2.194
  421    H    CYS  54           HN       CYS  54  61.027   1.218   2.698
  422    HA   CYS  54           HA       CYS  54  61.227  -0.527   0.362
  423   1HB   CYS  54           HB2      CYS  54  59.188   0.047   2.465
  424   2HB   CYS  54           HB1      CYS  54  58.629  -0.653   0.944
  425    H    CYS  55           HN       CYS  55  60.070   2.633   1.073
  426    HA   CYS  55           HA       CYS  55  58.458   2.874  -1.365
  427   1HB   CYS  55           HB2      CYS  55  57.525   4.286   0.181
  428   2HB   CYS  55           HB1      CYS  55  59.024   4.448   1.075
  429    H    VAL  56           HN       VAL  56  61.707   3.511  -0.262
  430    HA   VAL  56           HA       VAL  56  62.394   5.173  -2.583
  431    HB   VAL  56           HB       VAL  56  64.185   3.801  -0.541
  432   1HG1  VAL  56           HG12     VAL  56  64.693   5.289  -2.980
  433   2HG1  VAL  56           HG11     VAL  56  65.414   6.092  -1.586
  434   3HG1  VAL  56           HG13     VAL  56  65.826   4.417  -1.948
  435   1HG2  VAL  56           HG21     VAL  56  62.395   5.826  -0.041
  436   2HG2  VAL  56           HG23     VAL  56  63.883   5.559   0.866
  437   3HG2  VAL  56           HG22     VAL  56  63.853   6.730  -0.452
  438    H    VAL  57           HN       VAL  57  62.985   1.853  -1.459
  439    HA   VAL  57           HA       VAL  57  64.485   1.077  -3.782
  440    HB   VAL  57           HB       VAL  57  63.925  -1.223  -3.081
  441   1HG1  VAL  57           HG12     VAL  57  64.862   0.827  -1.129
  442   2HG1  VAL  57           HG11     VAL  57  64.538  -0.789  -0.503
  443   3HG1  VAL  57           HG13     VAL  57  65.723  -0.563  -1.790
  444   1HG2  VAL  57           HG23     VAL  57  62.050   0.195  -1.170
  445   2HG2  VAL  57           HG22     VAL  57  61.599  -0.919  -2.459
  446   3HG2  VAL  57           HG21     VAL  57  62.475  -1.512  -1.047
  447    H    ALA  58           HN       ALA  58  61.113   0.989  -2.777
  448    HA   ALA  58           HA       ALA  58  60.041  -0.129  -5.175
  449   1HB   ALA  58           HB3      ALA  58  58.877   1.792  -3.134
  450   2HB   ALA  58           HB2      ALA  58  57.933   1.045  -4.422
  451   3HB   ALA  58           HB1      ALA  58  58.662   0.042  -3.168
  452    H    SER  59           HN       SER  59  61.141   2.988  -4.149
  453    HA   SER  59           HA       SER  59  59.992   4.649  -6.133
  454   1HB   SER  59           HB2      SER  59  61.400   5.219  -4.041
  455   2HB   SER  59           HB1      SER  59  62.775   5.093  -5.134
  456    HG   SER  59           HG       SER  59  61.169   6.503  -6.483
  457    H    GLN  60           HN       GLN  60  63.344   3.453  -6.088
  458    HA   GLN  60           HA       GLN  60  63.959   4.019  -8.784
  459   1HB   GLN  60           HB2      GLN  60  65.159   2.654  -6.574
  460   2HB   GLN  60           HB1      GLN  60  65.295   1.636  -8.010
  461   1HG   GLN  60           HG2      GLN  60  66.499   3.264  -9.202
  462   2HG   GLN  60           HG1      GLN  60  65.922   4.571  -8.166
  463   1HE2  GLN  60           HE22     GLN  60  68.166   3.366  -5.435
  464   2HE2  GLN  60           HE21     GLN  60  66.493   3.593  -5.608
  465    H    LEU  61           HN       LEU  61  62.200   1.385  -7.327
  466    HA   LEU  61           HA       LEU  61  62.353  -0.442  -9.533
  467   1HB   LEU  61           HB2      LEU  61  60.514  -0.074  -7.181
  468   2HB   LEU  61           HB1      LEU  61  60.142  -1.268  -8.415
  469    HG   LEU  61           HG       LEU  61  62.574  -1.137  -6.664
  470   1HD1  LEU  61           HD12     LEU  61  60.326  -2.209  -5.943
  471   2HD1  LEU  61           HD11     LEU  61  60.723  -3.469  -7.111
  472   3HD1  LEU  61           HD13     LEU  61  61.795  -3.164  -5.743
  473   1HD2  LEU  61           HD23     LEU  61  62.076  -2.580  -9.244
  474   2HD2  LEU  61           HD22     LEU  61  63.558  -1.821  -8.666
  475   3HD2  LEU  61           HD21     LEU  61  63.043  -3.370  -7.999
  476    H    ARG  62           HN       ARG  62  60.206   2.222  -8.644
  477    HA   ARG  62           HA       ARG  62  58.715   1.790 -11.162
  478   1HB   ARG  62           HB2      ARG  62  57.082   3.407 -10.263
  479   2HB   ARG  62           HB1      ARG  62  57.357   2.088  -9.125
  480   1HG   ARG  62           HG2      ARG  62  58.866   3.458  -7.816
  481   2HG   ARG  62           HG1      ARG  62  58.788   4.756  -9.005
  482   1HD   ARG  62           HD2      ARG  62  57.258   5.466  -7.368
  483   2HD   ARG  62           HD1      ARG  62  56.216   4.683  -8.553
  484    HE   ARG  62           HE       ARG  62  56.501   3.846  -5.852
  485   1HH1  ARG  62           HH21     ARG  62  57.720   1.483  -6.219
  486   2HH1  ARG  62           HH22     ARG  62  56.618   0.418  -7.020
  487   1HH2  ARG  62           HH12     ARG  62  54.537   2.965  -8.117
  488   2HH2  ARG  62           HH11     ARG  62  54.812   1.255  -8.094
  489    H    ALA  63           HN       ALA  63  61.425   3.422 -10.236
  490    HA   ALA  63           HA       ALA  63  61.071   6.065 -11.183
  491   1HB   ALA  63           HB3      ALA  63  63.356   4.237 -10.751
  492   2HB   ALA  63           HB2      ALA  63  63.640   5.523 -11.924
  493   3HB   ALA  63           HB1      ALA  63  63.157   5.924 -10.275
  494    H    ASN  64           HN       ASN  64  62.802   3.558 -13.062
  495    HA   ASN  64           HA       ASN  64  61.632   4.796 -15.516
  496   1HB   ASN  64           HB2      ASN  64  64.130   3.099 -15.220
  497   2HB   ASN  64           HB1      ASN  64  63.565   3.855 -16.710
  498   1HD2  ASN  64           HD22     ASN  64  65.946   6.333 -15.537
  499   2HD2  ASN  64           HD21     ASN  64  65.887   4.877 -16.408
  500    H    ILE  65           HN       ILE  65  61.941   1.823 -13.704
  501    HA   ILE  65           HA       ILE  65  61.299  -0.069 -15.706
  502    HB   ILE  65           HB       ILE  65  60.054  -0.302 -12.984
  503   1HG1  ILE  65           HG12     ILE  65  62.170   0.562 -12.328
  504   2HG1  ILE  65           HG11     ILE  65  62.374  -1.188 -12.261
  505   1HG2  ILE  65           HG21     ILE  65  60.683  -2.008 -15.195
  506   2HG2  ILE  65           HG23     ILE  65  61.625  -2.535 -13.802
  507   3HG2  ILE  65           HG22     ILE  65  59.869  -2.428 -13.688
  508   1HD1  ILE  65           HD12     ILE  65  63.057  -0.737 -14.847
  509   2HD1  ILE  65           HD11     ILE  65  63.577   0.784 -14.121
  510   3HD1  ILE  65           HD13     ILE  65  64.226  -0.744 -13.525
  511    H    SER  66           HN       SER  66  59.076  -1.184 -15.884
  512    HA   SER  66           HA       SER  66  56.664   0.170 -15.225
  513   1HB   SER  66           HB2      SER  66  57.261   1.982 -16.643
  514   2HB   SER  66           HB1      SER  66  57.903   0.906 -17.880
  515    HG   SER  66           HG       SER  66  55.419   1.841 -17.587
  516    H    HIS  67           HN       HIS  67  57.352  -2.473 -15.204
  517    HA   HIS  67           HA       HIS  67  55.362  -3.619 -17.022
  518   1HB   HIS  67           HB2      HIS  67  57.991  -3.514 -17.919
  519   2HB   HIS  67           HB1      HIS  67  57.847  -5.141 -17.261
  520    HD1  HIS  67           HD1      HIS  67  56.738  -2.992 -20.075
  521    HD2  HIS  67           HD2      HIS  67  55.769  -6.738 -18.525
  522    HE1  HIS  67           HE1      HIS  67  55.361  -4.166 -21.847
  523    H    LYS  68           HN       LYS  68  56.549  -6.324 -16.662
  524    HA   LYS  68           HA       LYS  68  55.250  -7.209 -14.388
  525   1HB   LYS  68           HB2      LYS  68  56.519  -8.583 -16.159
  526   2HB   LYS  68           HB1      LYS  68  57.948  -8.330 -15.155
  527   1HG   LYS  68           HG2      LYS  68  57.212 -10.261 -14.160
  528   2HG   LYS  68           HG1      LYS  68  56.213  -9.127 -13.250
  529   1HD   LYS  68           HD2      LYS  68  54.360 -10.093 -14.078
  530   2HD   LYS  68           HD1      LYS  68  54.880  -9.685 -15.713
  531   1HE   LYS  68           HE2      LYS  68  56.469 -11.880 -14.852
  532   2HE   LYS  68           HE1      LYS  68  54.792 -12.267 -14.469
  533   1HZ   LYS  68           HZ2      LYS  68  54.487 -11.255 -16.890
  534   2HZ   LYS  68           HZ1      LYS  68  56.063 -11.867 -17.056
  535   3HZ   LYS  68           HZ3      LYS  68  54.793 -12.904 -16.619
  536    H    ASP  69           HN       ASP  69  58.614  -6.031 -14.520
  537    HA   ASP  69           HA       ASP  69  59.195  -6.412 -11.772
  538   1HB   ASP  69           HB2      ASP  69  60.546  -5.422 -14.049
  539   2HB   ASP  69           HB1      ASP  69  60.577  -4.123 -12.856
  540    H    MET  70           HN       MET  70  58.249  -3.457 -13.563
  541    HA   MET  70           HA       MET  70  57.858  -1.951 -11.105
  542   1HB   MET  70           HB2      MET  70  58.348  -1.136 -13.576
  543   2HB   MET  70           HB1      MET  70  56.590  -1.147 -13.702
  544   1HG   MET  70           HG2      MET  70  57.657   0.095 -11.242
  545   2HG   MET  70           HG1      MET  70  58.025   0.958 -12.734
  546   1HE   MET  70           HE3      MET  70  56.729   2.934 -12.963
  547   2HE   MET  70           HE2      MET  70  56.350   1.932 -14.361
  548   3HE   MET  70           HE1      MET  70  55.068   2.842 -13.564
  549    H    GLN  71           HN       GLN  71  55.439  -2.633 -13.653
  550    HA   GLN  71           HA       GLN  71  53.121  -2.173 -12.261
  551   1HB   GLN  71           HB2      GLN  71  53.458  -3.130 -14.653
  552   2HB   GLN  71           HB1      GLN  71  53.353  -4.708 -13.873
  553   1HG   GLN  71           HG2      GLN  71  51.117  -4.292 -14.422
  554   2HG   GLN  71           HG1      GLN  71  51.199  -3.717 -12.756
  555   1HE2  GLN  71           HE22     GLN  71  49.749  -0.738 -14.055
  556   2HE2  GLN  71           HE21     GLN  71  49.469  -2.138 -13.138
  557    H    LEU  72           HN       LEU  72  55.155  -5.095 -11.941
  558    HA   LEU  72           HA       LEU  72  53.350  -6.015  -9.739
  559   1HB   LEU  72           HB2      LEU  72  54.759  -7.343 -11.849
  560   2HB   LEU  72           HB1      LEU  72  55.381  -7.926 -10.306
  561    HG   LEU  72           HG       LEU  72  53.054  -8.359  -9.575
  562   1HD1  LEU  72           HD12     LEU  72  52.436  -7.423 -12.386
  563   2HD1  LEU  72           HD11     LEU  72  51.265  -8.150 -11.286
  564   3HD1  LEU  72           HD13     LEU  72  51.997  -6.595 -10.893
  565   1HD2  LEU  72           HD21     LEU  72  54.467  -9.700 -11.712
  566   2HD2  LEU  72           HD23     LEU  72  53.452 -10.404 -10.453
  567   3HD2  LEU  72           HD22     LEU  72  52.727  -9.850 -11.963
  568    H    GLY  73           HN       GLY  73  56.824  -6.293 -10.345
  569   1HA   GLY  73           HA2      GLY  73  57.699  -6.484  -7.729
  570   2HA   GLY  73           HA1      GLY  73  58.665  -5.780  -9.020
  571    H    ARG  74           HN       ARG  74  57.052  -3.465  -9.543
  572    HA   ARG  74           HA       ARG  74  57.184  -1.214  -8.799
  573   1HB   ARG  74           HB2      ARG  74  56.052  -1.447  -6.212
  574   2HB   ARG  74           HB1      ARG  74  55.236  -0.985  -7.700
  575   1HG   ARG  74           HG2      ARG  74  54.750  -3.334  -8.188
  576   2HG   ARG  74           HG1      ARG  74  55.614  -3.832  -6.732
  577   1HD   ARG  74           HD2      ARG  74  53.127  -3.718  -6.424
  578   2HD   ARG  74           HD1      ARG  74  54.020  -2.668  -5.322
  579    HE   ARG  74           HE       ARG  74  52.855  -1.561  -7.838
  580   1HH1  ARG  74           HH21     ARG  74  54.379  -0.086  -5.552
  581   2HH1  ARG  74           HH22     ARG  74  53.051   0.709  -4.775
  582   1HH2  ARG  74           HH12     ARG  74  50.633  -1.213  -6.351
  583   2HH2  ARG  74           HH11     ARG  74  50.930   0.072  -5.228
   
  No H/Q in entry =         583
  Start of MODEL   10
    1    H    MET   1           HN       MET   1  54.832  -9.468 -10.417
    2    HA   MET   1           HA       MET   1  55.122  -9.940  -7.553
    3   1HB   MET   1           HB2      MET   1  56.871  -8.584  -9.598
    4   2HB   MET   1           HB1      MET   1  57.290  -8.702  -7.888
    5   1HG   MET   1           HG2      MET   1  58.343 -10.584  -8.876
    6   2HG   MET   1           HG1      MET   1  56.875 -11.235  -8.148
    7   1HE   MET   1           HE3      MET   1  59.104 -11.442 -10.604
    8   2HE   MET   1           HE2      MET   1  58.359 -11.916 -12.128
    9   3HE   MET   1           HE1      MET   1  58.552 -10.207 -11.744
   10    H    LEU   2           HN       LEU   2  53.045  -8.471  -7.301
   11    HA   LEU   2           HA       LEU   2  53.496  -5.610  -7.421
   12   1HB   LEU   2           HB2      LEU   2  51.231  -6.815  -7.402
   13   2HB   LEU   2           HB1      LEU   2  51.482  -7.028  -5.672
   14    HG   LEU   2           HG       LEU   2  51.869  -4.499  -5.565
   15   1HD1  LEU   2           HD11     LEU   2  51.070  -4.884  -8.415
   16   2HD1  LEU   2           HD13     LEU   2  50.433  -3.470  -7.576
   17   3HD1  LEU   2           HD12     LEU   2  52.177  -3.705  -7.710
   18   1HD2  LEU   2           HD21     LEU   2  49.485  -6.066  -5.617
   19   2HD2  LEU   2           HD23     LEU   2  49.766  -4.549  -4.760
   20   3HD2  LEU   2           HD22     LEU   2  49.127  -4.528  -6.404
   21    H    GLN   3           HN       GLN   3  55.165  -7.725  -5.668
   22    HA   GLN   3           HA       GLN   3  56.089  -5.878  -3.727
   23   1HB   GLN   3           HB2      GLN   3  55.045  -6.683  -1.686
   24   2HB   GLN   3           HB1      GLN   3  53.773  -6.219  -2.814
   25   1HG   GLN   3           HG2      GLN   3  52.975  -8.324  -2.942
   26   2HG   GLN   3           HG1      GLN   3  54.588  -9.001  -3.162
   27   1HE2  GLN   3           HE22     GLN   3  53.715 -10.394   0.070
   28   2HE2  GLN   3           HE21     GLN   3  53.533 -10.695  -1.592
   29    H    LYS   4           HN       LYS   4  57.554  -7.485  -5.276
   30    HA   LYS   4           HA       LYS   4  58.150  -9.981  -3.809
   31   1HB   LYS   4           HB2      LYS   4  58.075  -9.609  -6.430
   32   2HB   LYS   4           HB1      LYS   4  59.735  -9.067  -6.178
   33   1HG   LYS   4           HG2      LYS   4  58.653 -11.706  -5.157
   34   2HG   LYS   4           HG1      LYS   4  59.540 -11.527  -6.671
   35   1HD   LYS   4           HD2      LYS   4  61.418 -11.820  -5.448
   36   2HD   LYS   4           HD1      LYS   4  61.137 -10.193  -4.830
   37   1HE   LYS   4           HE2      LYS   4  61.407 -11.732  -2.954
   38   2HE   LYS   4           HE1      LYS   4  59.738 -11.164  -3.004
   39   1HZ   LYS   4           HZ2      LYS   4  60.693 -13.716  -4.187
   40   2HZ   LYS   4           HZ1      LYS   4  59.925 -13.580  -2.677
   41   3HZ   LYS   4           HZ3      LYS   4  59.083 -13.182  -4.095
   42    H    LYS   5           HN       LYS   5  60.006  -7.127  -4.977
   43    HA   LYS   5           HA       LYS   5  62.225  -7.834  -3.251
   44   1HB   LYS   5           HB2      LYS   5  63.014  -6.722  -5.119
   45   2HB   LYS   5           HB1      LYS   5  61.600  -5.676  -5.220
   46   1HG   LYS   5           HG2      LYS   5  63.439  -4.304  -4.539
   47   2HG   LYS   5           HG1      LYS   5  62.423  -4.533  -3.127
   48   1HD   LYS   5           HD2      LYS   5  63.919  -6.166  -2.210
   49   2HD   LYS   5           HD1      LYS   5  64.808  -6.289  -3.728
   50   1HE   LYS   5           HE2      LYS   5  65.855  -4.217  -3.438
   51   2HE   LYS   5           HE1      LYS   5  64.623  -3.643  -2.314
   52   1HZ   LYS   5           HZ2      LYS   5  66.553  -5.829  -1.751
   53   2HZ   LYS   5           HZ1      LYS   5  66.711  -4.228  -1.204
   54   3HZ   LYS   5           HZ3      LYS   5  65.417  -5.183  -0.665
   55    H    ILE   6           HN       ILE   6  59.244  -6.351  -2.771
   56    HA   ILE   6           HA       ILE   6  60.270  -4.716  -0.507
   57    HB   ILE   6           HB       ILE   6  57.411  -4.834  -1.460
   58   1HG1  ILE   6           HG12     ILE   6  59.170  -4.354  -3.293
   59   2HG1  ILE   6           HG11     ILE   6  57.870  -3.174  -3.094
   60   1HG2  ILE   6           HG21     ILE   6  58.897  -3.426   0.564
   61   2HG2  ILE   6           HG23     ILE   6  58.283  -2.263  -0.609
   62   3HG2  ILE   6           HG22     ILE   6  57.170  -3.350   0.219
   63   1HD1  ILE   6           HD13     ILE   6  60.633  -2.959  -1.858
   64   2HD1  ILE   6           HD12     ILE   6  60.093  -2.083  -3.291
   65   3HD1  ILE   6           HD11     ILE   6  59.344  -1.762  -1.727
   66    H    GLU   7           HN       GLU   7  58.358  -7.561  -1.274
   67    HA   GLU   7           HA       GLU   7  57.337  -7.881   1.437
   68   1HB   GLU   7           HB2      GLU   7  56.625 -10.090   0.709
   69   2HB   GLU   7           HB1      GLU   7  56.268  -8.946  -0.584
   70   1HG   GLU   7           HG2      GLU   7  57.341 -10.519  -1.861
   71   2HG   GLU   7           HG1      GLU   7  58.775  -9.658  -1.300
   72    H    GLU   8           HN       GLU   8  60.268  -8.498  -0.256
   73    HA   GLU   8           HA       GLU   8  61.288 -10.526   1.559
   74   1HB   GLU   8           HB2      GLU   8  63.365 -10.278   0.357
   75   2HB   GLU   8           HB1      GLU   8  62.068 -10.168  -0.832
   76   1HG   GLU   8           HG2      GLU   8  62.224  -7.741  -0.879
   77   2HG   GLU   8           HG1      GLU   8  63.371  -7.762   0.472
   78    H    ILE   9           HN       ILE   9  61.663  -7.000   1.202
   79    HA   ILE   9           HA       ILE   9  63.440  -6.810   3.513
   80    HB   ILE   9           HB       ILE   9  63.627  -5.150   1.721
   81   1HG1  ILE   9           HG12     ILE   9  63.724  -3.195   3.079
   82   2HG1  ILE   9           HG11     ILE   9  62.388  -3.738   4.093
   83   1HG2  ILE   9           HG22     ILE   9  60.773  -4.461   2.465
   84   2HG2  ILE   9           HG21     ILE   9  61.778  -3.547   1.339
   85   3HG2  ILE   9           HG23     ILE   9  61.303  -5.200   0.955
   86   1HD1  ILE   9           HD12     ILE   9  63.793  -5.589   4.942
   87   2HD1  ILE   9           HD11     ILE   9  65.133  -5.022   3.948
   88   3HD1  ILE   9           HD13     ILE   9  64.531  -4.022   5.270
   89    H    ALA  10           HN       ALA  10  60.054  -6.775   2.889
   90    HA   ALA  10           HA       ALA  10  59.268  -5.493   5.380
   91   1HB   ALA  10           HB3      ALA  10  57.949  -6.764   3.067
   92   2HB   ALA  10           HB2      ALA  10  57.099  -6.966   4.600
   93   3HB   ALA  10           HB1      ALA  10  57.463  -5.347   3.999
   94    H    ALA  11           HN       ALA  11  59.646  -8.774   4.162
   95    HA   ALA  11           HA       ALA  11  58.760 -10.010   6.652
   96   1HB   ALA  11           HB2      ALA  11  60.049 -11.046   4.122
   97   2HB   ALA  11           HB1      ALA  11  59.762 -12.087   5.517
   98   3HB   ALA  11           HB3      ALA  11  58.403 -11.318   4.694
   99    H    LYS  12           HN       LYS  12  61.778  -8.910   5.229
  100    HA   LYS  12           HA       LYS  12  63.305 -10.363   7.307
  101   1HB   LYS  12           HB2      LYS  12  65.251  -9.824   6.132
  102   2HB   LYS  12           HB1      LYS  12  64.063  -9.941   4.838
  103   1HG   LYS  12           HG2      LYS  12  64.693  -7.867   4.238
  104   2HG   LYS  12           HG1      LYS  12  63.869  -7.293   5.689
  105   1HD   LYS  12           HD2      LYS  12  65.988  -6.432   6.065
  106   2HD   LYS  12           HD1      LYS  12  66.159  -8.007   6.841
  107   1HE   LYS  12           HE2      LYS  12  67.937  -8.311   5.473
  108   2HE   LYS  12           HE1      LYS  12  66.752  -8.557   4.191
  109   1HZ   LYS  12           HZ3      LYS  12  66.989  -5.826   4.500
  110   2HZ   LYS  12           HZ2      LYS  12  68.579  -6.422   4.544
  111   3HZ   LYS  12           HZ1      LYS  12  67.576  -6.764   3.216
  112    H    TYR  13           HN       TYR  13  61.482  -8.579   8.380
  113    HA   TYR  13           HA       TYR  13  63.239  -6.371   9.363
  114   1HB   TYR  13           HB2      TYR  13  60.279  -6.568   8.922
  115   2HB   TYR  13           HB1      TYR  13  60.880  -5.516  10.198
  116    HD1  TYR  13           HD1      TYR  13  63.400  -4.508   9.139
  117    HD2  TYR  13           HD2      TYR  13  59.666  -5.179   7.137
  118    HE1  TYR  13           HE1      TYR  13  64.003  -2.796   7.448
  119    HE2  TYR  13           HE2      TYR  13  60.269  -3.475   5.440
  120    HH   TYR  13           HH       TYR  13  63.276  -1.592   5.714
  121    H    LYS  14           HN       LYS  14  63.571  -6.220  11.566
  122    HA   LYS  14           HA       LYS  14  62.874  -8.586  13.162
  123   1HB   LYS  14           HB2      LYS  14  64.628  -6.178  13.545
  124   2HB   LYS  14           HB1      LYS  14  64.152  -7.136  14.949
  125   1HG   LYS  14           HG2      LYS  14  65.342  -8.990  14.262
  126   2HG   LYS  14           HG1      LYS  14  65.166  -8.599  12.550
  127   1HD   LYS  14           HD2      LYS  14  66.755  -6.712  12.840
  128   2HD   LYS  14           HD1      LYS  14  66.967  -7.172  14.530
  129   1HE   LYS  14           HE2      LYS  14  68.561  -8.626  13.897
  130   2HE   LYS  14           HE1      LYS  14  67.337  -9.530  13.005
  131   1HZ   LYS  14           HZ1      LYS  14  68.379  -7.111  11.751
  132   2HZ   LYS  14           HZ3      LYS  14  69.429  -8.441  11.833
  133   3HZ   LYS  14           HZ2      LYS  14  67.928  -8.593  11.052
  134    H    HIS  15           HN       HIS  15  60.557  -7.182  12.453
  135    HA   HIS  15           HA       HIS  15  59.341  -6.751  15.008
  136   1HB   HIS  15           HB2      HIS  15  60.743  -4.497  13.950
  137   2HB   HIS  15           HB1      HIS  15  59.016  -4.160  13.847
  138    HD1  HIS  15           HD1      HIS  15  61.511  -3.382  16.058
  139    HD2  HIS  15           HD2      HIS  15  57.924  -5.431  16.620
  140    HE1  HIS  15           HE1      HIS  15  60.976  -3.226  18.529
  141    H    SER  16           HN       SER  16  57.423  -7.671  14.471
  142    HA   SER  16           HA       SER  16  56.259  -7.983  11.979
  143   1HB   SER  16           HB2      SER  16  54.405  -8.715  13.096
  144   2HB   SER  16           HB1      SER  16  55.484  -8.603  14.484
  145    HG   SER  16           HG       SER  16  54.688  -6.390  14.682
  146    H    VAL  17           HN       VAL  17  55.851  -5.063  14.053
  147    HA   VAL  17           HA       VAL  17  53.916  -3.795  12.399
  148    HB   VAL  17           HB       VAL  17  55.998  -2.295  13.980
  149   1HG1  VAL  17           HG12     VAL  17  54.243  -1.098  12.617
  150   2HG1  VAL  17           HG11     VAL  17  53.018  -1.862  13.631
  151   3HG1  VAL  17           HG13     VAL  17  54.179  -0.742  14.344
  152   1HG2  VAL  17           HG22     VAL  17  54.148  -4.347  14.917
  153   2HG2  VAL  17           HG21     VAL  17  55.429  -3.514  15.798
  154   3HG2  VAL  17           HG23     VAL  17  53.827  -2.786  15.671
  155    H    VAL  18           HN       VAL  18  57.466  -3.820  12.230
  156    HA   VAL  18           HA       VAL  18  57.786  -1.697  10.367
  157    HB   VAL  18           HB       VAL  18  59.397  -4.260  10.335
  158   1HG1  VAL  18           HG13     VAL  18  59.652  -2.219   8.692
  159   2HG1  VAL  18           HG12     VAL  18  60.456  -1.477  10.076
  160   3HG1  VAL  18           HG11     VAL  18  61.084  -2.973   9.392
  161   1HG2  VAL  18           HG21     VAL  18  58.920  -2.793  12.622
  162   2HG2  VAL  18           HG23     VAL  18  60.346  -3.785  12.329
  163   3HG2  VAL  18           HG22     VAL  18  60.392  -2.059  11.995
  164    H    LYS  19           HN       LYS  19  56.367  -4.810  10.057
  165    HA   LYS  19           HA       LYS  19  56.766  -5.211   7.242
  166   1HB   LYS  19           HB2      LYS  19  55.867  -6.865   9.049
  167   2HB   LYS  19           HB1      LYS  19  54.298  -6.134   8.704
  168   1HG   LYS  19           HG2      LYS  19  54.777  -6.597   6.237
  169   2HG   LYS  19           HG1      LYS  19  56.121  -7.599   6.788
  170   1HD   LYS  19           HD2      LYS  19  53.618  -8.147   8.216
  171   2HD   LYS  19           HD1      LYS  19  53.510  -8.461   6.484
  172   1HE   LYS  19           HE2      LYS  19  55.854  -9.630   6.879
  173   2HE   LYS  19           HE1      LYS  19  55.266  -9.754   8.537
  174   1HZ   LYS  19           HZ1      LYS  19  53.653 -10.607   6.206
  175   2HZ   LYS  19           HZ3      LYS  19  54.709 -11.659   7.013
  176   3HZ   LYS  19           HZ2      LYS  19  53.397 -10.970   7.846
  177    H    LYS  20           HN       LYS  20  54.163  -3.651   9.125
  178    HA   LYS  20           HA       LYS  20  52.564  -2.958   6.832
  179   1HB   LYS  20           HB2      LYS  20  51.385  -2.856   8.858
  180   2HB   LYS  20           HB1      LYS  20  52.696  -2.019   9.686
  181   1HG   LYS  20           HG2      LYS  20  51.934   0.019   9.056
  182   2HG   LYS  20           HG1      LYS  20  51.655  -0.506   7.395
  183   1HD   LYS  20           HD2      LYS  20  49.457  -0.263   7.967
  184   2HD   LYS  20           HD1      LYS  20  49.675  -1.861   8.682
  185   1HE   LYS  20           HE2      LYS  20  48.741  -0.605  10.444
  186   2HE   LYS  20           HE1      LYS  20  50.470  -0.569  10.792
  187   1HZ   LYS  20           HZ3      LYS  20  49.798   1.534   9.034
  188   2HZ   LYS  20           HZ2      LYS  20  48.783   1.592  10.395
  189   3HZ   LYS  20           HZ1      LYS  20  50.470   1.621  10.589
  190    H    CYS  21           HN       CYS  21  54.893  -1.125   8.803
  191    HA   CYS  21           HA       CYS  21  54.844   1.338   7.494
  192   1HB   CYS  21           HB2      CYS  21  57.136  -0.219   8.710
  193   2HB   CYS  21           HB1      CYS  21  57.328   1.425   8.111
  194    H    CYS  22           HN       CYS  22  56.715  -1.555   6.619
  195    HA   CYS  22           HA       CYS  22  57.828  -0.353   4.221
  196   1HB   CYS  22           HB2      CYS  22  59.063  -2.146   5.169
  197   2HB   CYS  22           HB1      CYS  22  57.641  -3.178   5.282
  198    H    TYR  23           HN       TYR  23  54.920  -2.105   5.052
  199    HA   TYR  23           HA       TYR  23  54.108  -2.975   2.491
  200   1HB   TYR  23           HB2      TYR  23  52.891  -2.604   5.060
  201   2HB   TYR  23           HB1      TYR  23  51.807  -2.001   3.820
  202    HD1  TYR  23           HD2      TYR  23  51.596  -3.508   1.662
  203    HD2  TYR  23           HD1      TYR  23  52.897  -4.842   5.522
  204    HE1  TYR  23           HE2      TYR  23  51.007  -5.839   1.048
  205    HE2  TYR  23           HE1      TYR  23  52.317  -7.140   4.912
  206    HH   TYR  23           HH       TYR  23  50.347  -7.998   2.492
  207    H    ASP  24           HN       ASP  24  53.363   0.091   4.170
  208    HA   ASP  24           HA       ASP  24  52.154   1.309   1.851
  209   1HB   ASP  24           HB2      ASP  24  53.487   2.858   4.065
  210   2HB   ASP  24           HB1      ASP  24  52.057   3.288   3.131
  211    H    GLY  25           HN       GLY  25  55.411   1.466   3.296
  212   1HA   GLY  25           HA2      GLY  25  56.680   3.352   1.743
  213   2HA   GLY  25           HA1      GLY  25  57.467   1.828   2.169
  214    H    ALA  26           HN       ALA  26  56.258  -0.069   0.737
  215    HA   ALA  26           HA       ALA  26  57.092   0.446  -1.986
  216   1HB   ALA  26           HB2      ALA  26  56.322  -1.826  -0.418
  217   2HB   ALA  26           HB1      ALA  26  55.362  -1.819  -1.896
  218   3HB   ALA  26           HB3      ALA  26  57.122  -1.806  -1.989
  219    H    CYS  27           HN       CYS  27  53.989   0.411  -0.298
  220    HA   CYS  27           HA       CYS  27  52.478   0.785  -2.791
  221   1HB   CYS  27           HB2      CYS  27  51.565   1.002   0.094
  222   2HB   CYS  27           HB1      CYS  27  50.519   0.903  -1.322
  223    HG   CYS  27           HG       CYS  27  50.831  -1.554  -1.361
  224    H    VAL  28           HN       VAL  28  54.530   2.765  -1.447
  225    HA   VAL  28           HA       VAL  28  53.743   5.120  -0.507
  226    HB   VAL  28           HB       VAL  28  55.927   5.074  -1.354
  227   1HG1  VAL  28           HG13     VAL  28  54.634   4.139  -3.901
  228   2HG1  VAL  28           HG12     VAL  28  56.278   4.778  -3.903
  229   3HG1  VAL  28           HG11     VAL  28  55.887   3.353  -2.941
  230   1HG2  VAL  28           HG22     VAL  28  54.449   7.219  -1.962
  231   2HG2  VAL  28           HG21     VAL  28  56.131   7.089  -2.478
  232   3HG2  VAL  28           HG23     VAL  28  54.831   6.707  -3.604
  233    H    ASN  29           HN       ASN  29  51.999   6.421  -0.778
  234    HA   ASN  29           HA       ASN  29  50.307   6.139  -3.154
  235   1HB   ASN  29           HB2      ASN  29  49.990   7.052  -0.442
  236   2HB   ASN  29           HB1      ASN  29  49.399   8.290  -1.550
  237   1HD2  ASN  29           HD22     ASN  29  46.795   6.188  -2.885
  238   2HD2  ASN  29           HD21     ASN  29  47.836   7.463  -3.299
  239    H    ASN  30           HN       ASN  30  52.940   7.318  -3.656
  240    HA   ASN  30           HA       ASN  30  52.161   9.473  -5.333
  241   1HB   ASN  30           HB2      ASN  30  52.718  11.422  -4.175
  242   2HB   ASN  30           HB1      ASN  30  51.987  10.457  -2.895
  243   1HD2  ASN  30           HD22     ASN  30  55.781  11.654  -2.476
  244   2HD2  ASN  30           HD21     ASN  30  54.709  12.300  -3.620
  245    H    ASP  31           HN       ASP  31  54.665  10.979  -5.036
  246    HA   ASP  31           HA       ASP  31  56.452   8.966  -6.285
  247   1HB   ASP  31           HB2      ASP  31  56.603  11.995  -6.195
  248   2HB   ASP  31           HB1      ASP  31  57.706  10.950  -7.085
  249    H    GLU  32           HN       GLU  32  58.879  10.240  -5.863
  250    HA   GLU  32           HA       GLU  32  60.245   9.194  -3.886
  251   1HB   GLU  32           HB2      GLU  32  60.251  12.006  -4.843
  252   2HB   GLU  32           HB1      GLU  32  61.175  11.664  -3.379
  253   1HG   GLU  32           HG2      GLU  32  61.528   9.684  -5.539
  254   2HG   GLU  32           HG1      GLU  32  62.132  11.298  -5.917
  255    H    THR  33           HN       THR  33  58.026  11.921  -3.083
  256    HA   THR  33           HA       THR  33  58.626  11.660  -0.237
  257    HB   THR  33           HB       THR  33  56.359  13.160  -0.320
  258    HG1  THR  33           HG1      THR  33  57.035  14.437  -2.377
  259   1HG2  THR  33           HG22     THR  33  58.720  13.712   0.489
  260   2HG2  THR  33           HG21     THR  33  59.042  14.272  -1.153
  261   3HG2  THR  33           HG23     THR  33  57.796  15.057  -0.182
  262    H    CYS  34           HN       CYS  34  58.013   9.233  -0.421
  263    HA   CYS  34           HA       CYS  34  55.370   8.331  -0.771
  264   1HB   CYS  34           HB2      CYS  34  56.167   6.685   1.241
  265   2HB   CYS  34           HB1      CYS  34  56.610   6.457  -0.443
  266    H    GLU  35           HN       GLU  35  56.477   8.081   2.555
  267    HA   GLU  35           HA       GLU  35  53.913   8.805   3.608
  268   1HB   GLU  35           HB2      GLU  35  56.615   8.821   4.972
  269   2HB   GLU  35           HB1      GLU  35  55.070   8.890   5.806
  270   1HG   GLU  35           HG2      GLU  35  55.663   6.667   3.870
  271   2HG   GLU  35           HG1      GLU  35  56.196   6.574   5.549
  272    H    GLN  36           HN       GLN  36  56.841  10.678   2.935
  273    HA   GLN  36           HA       GLN  36  56.223  13.076   4.285
  274   1HB   GLN  36           HB2      GLN  36  58.017  12.288   2.229
  275   2HB   GLN  36           HB1      GLN  36  57.118  13.669   1.596
  276   1HG   GLN  36           HG2      GLN  36  57.829  15.088   3.329
  277   2HG   GLN  36           HG1      GLN  36  58.261  13.739   4.381
  278   1HE2  GLN  36           HE22     GLN  36  61.336  15.246   2.702
  279   2HE2  GLN  36           HE21     GLN  36  60.039  15.971   3.523
  280    H    ARG  37           HN       ARG  37  54.921  11.600   1.406
  281    HA   ARG  37           HA       ARG  37  53.162  13.863   0.769
  282   1HB   ARG  37           HB2      ARG  37  53.968  12.340  -1.028
  283   2HB   ARG  37           HB1      ARG  37  53.133  10.996  -0.248
  284   1HG   ARG  37           HG2      ARG  37  51.426  13.352  -0.688
  285   2HG   ARG  37           HG1      ARG  37  52.029  12.623  -2.177
  286   1HD   ARG  37           HD2      ARG  37  51.302  10.368  -1.114
  287   2HD   ARG  37           HD1      ARG  37  50.347  11.365  -0.016
  288    HE   ARG  37           HE       ARG  37  49.846  10.999  -2.896
  289   1HH1  ARG  37           HH12     ARG  37  49.521  13.138  -0.235
  290   2HH1  ARG  37           HH11     ARG  37  47.927  13.657  -0.668
  291   1HH2  ARG  37           HH21     ARG  37  47.671  11.496  -3.369
  292   2HH2  ARG  37           HH22     ARG  37  46.876  12.724  -2.441
  293    H    ALA  38           HN       ALA  38  53.049  10.734   2.412
  294    HA   ALA  38           HA       ALA  38  50.345  10.330   2.871
  295   1HB   ALA  38           HB1      ALA  38  52.555  10.170   4.951
  296   2HB   ALA  38           HB3      ALA  38  50.966   9.425   5.103
  297   3HB   ALA  38           HB2      ALA  38  52.081   8.872   3.856
  298    H    ALA  39           HN       ALA  39  52.372  12.162   5.133
  299    HA   ALA  39           HA       ALA  39  50.835  14.536   5.153
  300   1HB   ALA  39           HB3      ALA  39  49.635  12.309   6.635
  301   2HB   ALA  39           HB2      ALA  39  49.913  13.726   7.649
  302   3HB   ALA  39           HB1      ALA  39  48.931  13.864   6.190
  303    H    ARG  40           HN       ARG  40  52.389  12.186   7.258
  304    HA   ARG  40           HA       ARG  40  54.686  13.752   7.838
  305   1HB   ARG  40           HB2      ARG  40  52.306  14.351   9.459
  306   2HB   ARG  40           HB1      ARG  40  53.727  13.923  10.411
  307   1HG   ARG  40           HG2      ARG  40  54.840  15.823   9.838
  308   2HG   ARG  40           HG1      ARG  40  54.266  15.766   8.171
  309   1HD   ARG  40           HD2      ARG  40  52.005  16.510   9.015
  310   2HD   ARG  40           HD1      ARG  40  52.749  16.767  10.593
  311    HE   ARG  40           HE       ARG  40  53.644  18.223   8.137
  312   1HH1  ARG  40           HH12     ARG  40  52.053  18.423  11.110
  313   2HH1  ARG  40           HH11     ARG  40  52.867  19.857  11.638
  314   1HH2  ARG  40           HH21     ARG  40  55.082  19.902   8.970
  315   2HH2  ARG  40           HH22     ARG  40  54.579  20.697  10.424
  316    H    ILE  41           HN       ILE  41  55.968  11.933   8.017
  317    HA   ILE  41           HA       ILE  41  55.110   9.403   8.842
  318    HB   ILE  41           HB       ILE  41  57.386   9.896   7.858
  319   1HG1  ILE  41           HG12     ILE  41  58.453   8.084   9.138
  320   2HG1  ILE  41           HG11     ILE  41  57.236   8.267  10.401
  321   1HG2  ILE  41           HG22     ILE  41  57.693  11.695   9.823
  322   2HG2  ILE  41           HG21     ILE  41  58.412  10.298  10.626
  323   3HG2  ILE  41           HG23     ILE  41  59.068  10.868   9.091
  324   1HD1  ILE  41           HD13     ILE  41  56.365   7.853   7.553
  325   2HD1  ILE  41           HD12     ILE  41  56.856   6.466   8.526
  326   3HD1  ILE  41           HD11     ILE  41  55.504   7.472   9.044
  327    H    SER  42           HN       SER  42  53.776   9.349  10.556
  328    HA   SER  42           HA       SER  42  55.122   9.721  13.126
  329   1HB   SER  42           HB2      SER  42  53.577  11.176  14.057
  330   2HB   SER  42           HB1      SER  42  53.677  11.790  12.405
  331    HG   SER  42           HG       SER  42  51.503  11.395  13.270
  332    H    LEU  43           HN       LEU  43  54.717   7.347  11.980
  333    HA   LEU  43           HA       LEU  43  52.424   6.324  13.543
  334   1HB   LEU  43           HB2      LEU  43  53.697   4.876  11.213
  335   2HB   LEU  43           HB1      LEU  43  52.135   4.550  11.964
  336    HG   LEU  43           HG       LEU  43  52.337   7.303  11.021
  337   1HD1  LEU  43           HD12     LEU  43  53.805   5.912   9.376
  338   2HD1  LEU  43           HD11     LEU  43  52.273   5.221   8.843
  339   3HD1  LEU  43           HD13     LEU  43  52.553   6.956   8.704
  340   1HD2  LEU  43           HD21     LEU  43  50.269   6.021  11.686
  341   2HD2  LEU  43           HD23     LEU  43  50.160   6.774  10.095
  342   3HD2  LEU  43           HD22     LEU  43  50.474   5.044  10.233
  343    H    GLY  44           HN       GLY  44  55.735   6.569  13.415
  344   1HA   GLY  44           HA2      GLY  44  56.458   5.246  15.664
  345   2HA   GLY  44           HA1      GLY  44  56.305   3.895  14.541
  346    HA   PRO  45           HA       PRO  45  60.559   5.982  14.047
  347   1HB   PRO  45           HB2      PRO  45  62.025   4.174  15.443
  348   2HB   PRO  45           HB1      PRO  45  61.285   5.594  16.193
  349   1HG   PRO  45           HG2      PRO  45  60.482   2.752  16.363
  350   2HG   PRO  45           HG1      PRO  45  60.296   4.053  17.547
  351   1HD   PRO  45           HD2      PRO  45  58.290   3.055  15.889
  352   2HD   PRO  45           HD1      PRO  45  58.223   4.570  16.788
  353    H    ARG  46           HN       ARG  46  60.376   2.430  14.493
  354    HA   ARG  46           HA       ARG  46  62.058   1.642  12.429
  355   1HB   ARG  46           HB2      ARG  46  61.117  -0.476  12.621
  356   2HB   ARG  46           HB1      ARG  46  60.600   0.248  14.140
  357   1HG   ARG  46           HG2      ARG  46  58.911   0.217  11.621
  358   2HG   ARG  46           HG1      ARG  46  58.758  -0.955  12.927
  359   1HD   ARG  46           HD2      ARG  46  58.742   1.724  14.002
  360   2HD   ARG  46           HD1      ARG  46  57.512   1.570  12.751
  361    HE   ARG  46           HE       ARG  46  57.134  -0.697  14.266
  362   1HH1  ARG  46           HH21     ARG  46  58.216   0.581  16.653
  363   2HH1  ARG  46           HH22     ARG  46  56.864   1.448  17.302
  364   1HH2  ARG  46           HH12     ARG  46  55.035   1.323  14.357
  365   2HH2  ARG  46           HH11     ARG  46  55.060   1.864  16.002
  366    H    CYS  47           HN       CYS  47  58.891   3.040  12.203
  367    HA   CYS  47           HA       CYS  47  58.172   2.310   9.528
  368   1HB   CYS  47           HB2      CYS  47  57.167   3.965  11.583
  369   2HB   CYS  47           HB1      CYS  47  57.435   5.031  10.196
  370    H    ILE  48           HN       ILE  48  59.586   5.348  10.715
  371    HA   ILE  48           HA       ILE  48  59.969   6.767   8.459
  372    HB   ILE  48           HB       ILE  48  61.734   6.337  10.837
  373   1HG1  ILE  48           HG12     ILE  48  61.265   8.767  11.099
  374   2HG1  ILE  48           HG11     ILE  48  60.349   8.735   9.593
  375   1HG2  ILE  48           HG21     ILE  48  62.481   7.811   8.315
  376   2HG2  ILE  48           HG23     ILE  48  63.170   8.230   9.885
  377   3HG2  ILE  48           HG22     ILE  48  63.431   6.622   9.206
  378   1HD1  ILE  48           HD13     ILE  48  58.847   7.008  10.600
  379   2HD1  ILE  48           HD12     ILE  48  59.714   7.191  12.123
  380   3HD1  ILE  48           HD11     ILE  48  58.800   8.545  11.458
  381    H    LYS  49           HN       LYS  49  62.560   4.479   9.454
  382    HA   LYS  49           HA       LYS  49  63.658   4.526   6.753
  383   1HB   LYS  49           HB2      LYS  49  64.919   4.268   9.013
  384   2HB   LYS  49           HB1      LYS  49  64.474   2.568   8.881
  385   1HG   LYS  49           HG2      LYS  49  66.100   2.213   7.369
  386   2HG   LYS  49           HG1      LYS  49  65.470   3.503   6.343
  387   1HD   LYS  49           HD2      LYS  49  67.491   4.467   6.827
  388   2HD   LYS  49           HD1      LYS  49  66.629   4.996   8.272
  389   1HE   LYS  49           HE2      LYS  49  67.435   2.976   9.471
  390   2HE   LYS  49           HE1      LYS  49  68.346   2.507   8.034
  391   1HZ   LYS  49           HZ3      LYS  49  68.696   5.060   9.509
  392   2HZ   LYS  49           HZ2      LYS  49  69.705   3.701   9.666
  393   3HZ   LYS  49           HZ1      LYS  49  69.614   4.530   8.185
  394    H    ALA  50           HN       ALA  50  61.395   2.472   8.434
  395    HA   ALA  50           HA       ALA  50  61.883   0.149   6.792
  396   1HB   ALA  50           HB2      ALA  50  59.410   0.939   8.366
  397   2HB   ALA  50           HB1      ALA  50  59.719  -0.656   7.679
  398   3HB   ALA  50           HB3      ALA  50  60.741  -0.042   8.977
  399    H    PHE  51           HN       PHE  51  59.122   2.358   6.940
  400    HA   PHE  51           HA       PHE  51  58.127   1.665   4.408
  401   1HB   PHE  51           HB2      PHE  51  56.522   3.256   4.776
  402   2HB   PHE  51           HB1      PHE  51  57.112   3.116   6.423
  403    HD1  PHE  51           HD2      PHE  51  57.614   5.085   3.258
  404    HD2  PHE  51           HD1      PHE  51  57.969   5.000   7.516
  405    HE1  PHE  51           HE2      PHE  51  58.244   7.488   3.276
  406    HE2  PHE  51           HE1      PHE  51  58.586   7.381   7.524
  407    HZ   PHE  51           HZ       PHE  51  58.727   8.628   5.416
  408    H    THR  52           HN       THR  52  60.167   4.419   5.423
  409    HA   THR  52           HA       THR  52  60.341   5.626   2.892
  410    HB   THR  52           HB       THR  52  62.469   5.458   5.042
  411    HG1  THR  52           HG1      THR  52  61.535   7.779   5.091
  412   1HG2  THR  52           HG21     THR  52  62.636   6.432   2.372
  413   2HG2  THR  52           HG23     THR  52  62.609   7.829   3.449
  414   3HG2  THR  52           HG22     THR  52  63.833   6.578   3.659
  415    H    GLU  53           HN       GLU  53  62.260   3.018   4.278
  416    HA   GLU  53           HA       GLU  53  64.121   2.705   2.150
  417   1HB   GLU  53           HB2      GLU  53  64.509   1.789   4.377
  418   2HB   GLU  53           HB1      GLU  53  63.121   0.723   4.172
  419   1HG   GLU  53           HG2      GLU  53  65.382  -0.348   3.710
  420   2HG   GLU  53           HG1      GLU  53  64.193  -0.498   2.414
  421    H    CYS  54           HN       CYS  54  60.954   1.234   2.759
  422    HA   CYS  54           HA       CYS  54  61.212  -0.573   0.484
  423   1HB   CYS  54           HB2      CYS  54  59.031   0.097   2.438
  424   2HB   CYS  54           HB1      CYS  54  58.661  -0.831   0.982
  425    H    CYS  55           HN       CYS  55  60.028   2.634   1.056
  426    HA   CYS  55           HA       CYS  55  58.537   2.721  -1.475
  427   1HB   CYS  55           HB2      CYS  55  57.541   4.517  -0.527
  428   2HB   CYS  55           HB1      CYS  55  58.484   4.197   0.920
  429    H    VAL  56           HN       VAL  56  61.726   3.407  -0.267
  430    HA   VAL  56           HA       VAL  56  62.529   4.967  -2.619
  431    HB   VAL  56           HB       VAL  56  64.234   3.606  -0.499
  432   1HG1  VAL  56           HG13     VAL  56  64.786   5.318  -2.859
  433   2HG1  VAL  56           HG12     VAL  56  65.692   5.698  -1.394
  434   3HG1  VAL  56           HG11     VAL  56  65.791   4.085  -2.100
  435   1HG2  VAL  56           HG21     VAL  56  62.457   5.691  -0.109
  436   2HG2  VAL  56           HG23     VAL  56  63.871   5.358   0.892
  437   3HG2  VAL  56           HG22     VAL  56  63.976   6.532  -0.421
  438    H    VAL  57           HN       VAL  57  63.045   1.671  -1.376
  439    HA   VAL  57           HA       VAL  57  64.583   0.805  -3.638
  440    HB   VAL  57           HB       VAL  57  63.993  -1.462  -2.885
  441   1HG1  VAL  57           HG11     VAL  57  64.661   0.571  -0.754
  442   2HG1  VAL  57           HG13     VAL  57  64.630  -1.156  -0.401
  443   3HG1  VAL  57           HG12     VAL  57  65.757  -0.521  -1.601
  444   1HG2  VAL  57           HG23     VAL  57  62.030   0.010  -1.106
  445   2HG2  VAL  57           HG22     VAL  57  61.643  -1.137  -2.388
  446   3HG2  VAL  57           HG21     VAL  57  62.443  -1.695  -0.920
  447    H    ALA  58           HN       ALA  58  61.191   0.816  -2.718
  448    HA   ALA  58           HA       ALA  58  60.156  -0.358  -5.110
  449   1HB   ALA  58           HB2      ALA  58  58.948   1.633  -3.162
  450   2HB   ALA  58           HB1      ALA  58  58.036   0.803  -4.424
  451   3HB   ALA  58           HB3      ALA  58  58.759  -0.120  -3.106
  452    H    SER  59           HN       SER  59  61.322   2.747  -4.168
  453    HA   SER  59           HA       SER  59  60.171   4.380  -6.183
  454   1HB   SER  59           HB2      SER  59  61.522   5.024  -4.096
  455   2HB   SER  59           HB1      SER  59  62.939   4.818  -5.120
  456    HG   SER  59           HG       SER  59  61.780   6.257  -6.622
  457    H    GLN  60           HN       GLN  60  63.476   3.051  -6.063
  458    HA   GLN  60           HA       GLN  60  64.138   3.633  -8.765
  459   1HB   GLN  60           HB2      GLN  60  65.296   2.235  -6.530
  460   2HB   GLN  60           HB1      GLN  60  65.495   1.280  -8.000
  461   1HG   GLN  60           HG2      GLN  60  66.773   2.914  -9.046
  462   2HG   GLN  60           HG1      GLN  60  66.021   4.221  -8.124
  463   1HE2  GLN  60           HE22     GLN  60  68.179   3.768  -5.273
  464   2HE2  GLN  60           HE21     GLN  60  66.609   4.247  -5.704
  465    H    LEU  61           HN       LEU  61  62.419   0.988  -7.272
  466    HA   LEU  61           HA       LEU  61  62.529  -0.795  -9.532
  467   1HB   LEU  61           HB2      LEU  61  60.768  -0.555  -7.096
  468   2HB   LEU  61           HB1      LEU  61  60.494  -1.802  -8.304
  469    HG   LEU  61           HG       LEU  61  62.897  -1.402  -6.559
  470   1HD1  LEU  61           HD13     LEU  61  60.971  -3.690  -7.033
  471   2HD1  LEU  61           HD12     LEU  61  62.426  -3.822  -6.046
  472   3HD1  LEU  61           HD11     LEU  61  61.130  -2.727  -5.564
  473   1HD2  LEU  61           HD21     LEU  61  62.682  -2.636  -9.238
  474   2HD2  LEU  61           HD23     LEU  61  64.106  -2.026  -8.395
  475   3HD2  LEU  61           HD22     LEU  61  63.479  -3.632  -8.021
  476    H    ARG  62           HN       ARG  62  60.493   1.876  -8.526
  477    HA   ARG  62           HA       ARG  62  58.721   1.393 -10.848
  478   1HB   ARG  62           HB2      ARG  62  57.155   2.920  -9.828
  479   2HB   ARG  62           HB1      ARG  62  57.703   1.796  -8.584
  480   1HG   ARG  62           HG2      ARG  62  59.179   3.413  -7.637
  481   2HG   ARG  62           HG1      ARG  62  59.015   4.483  -9.026
  482   1HD   ARG  62           HD2      ARG  62  57.656   5.385  -7.242
  483   2HD   ARG  62           HD1      ARG  62  56.568   4.716  -8.458
  484    HE   ARG  62           HE       ARG  62  57.064   3.577  -5.765
  485   1HH1  ARG  62           HH12     ARG  62  56.829   1.142  -7.099
  486   2HH1  ARG  62           HH11     ARG  62  55.143   0.933  -7.435
  487   1HH2  ARG  62           HH21     ARG  62  54.358   4.274  -6.951
  488   2HH2  ARG  62           HH22     ARG  62  53.744   2.703  -7.346
  489    H    ALA  63           HN       ALA  63  61.522   3.082 -10.223
  490    HA   ALA  63           HA       ALA  63  60.738   5.492 -11.748
  491   1HB   ALA  63           HB1      ALA  63  62.222   5.669  -9.745
  492   2HB   ALA  63           HB3      ALA  63  63.438   4.723 -10.603
  493   3HB   ALA  63           HB2      ALA  63  62.968   6.312 -11.208
  494    H    ASN  64           HN       ASN  64  62.798   2.619 -12.097
  495    HA   ASN  64           HA       ASN  64  63.432   3.481 -14.875
  496   1HB   ASN  64           HB2      ASN  64  65.201   2.630 -13.156
  497   2HB   ASN  64           HB1      ASN  64  64.565   1.031 -13.543
  498   1HD2  ASN  64           HD22     ASN  64  67.292   1.596 -15.973
  499   2HD2  ASN  64           HD21     ASN  64  67.148   1.319 -14.304
  500    H    ILE  65           HN       ILE  65  60.788   2.337 -13.926
  501    HA   ILE  65           HA       ILE  65  60.521   0.394 -16.117
  502    HB   ILE  65           HB       ILE  65  59.481  -0.532 -13.464
  503   1HG1  ILE  65           HG12     ILE  65  62.300  -1.059 -14.453
  504   2HG1  ILE  65           HG11     ILE  65  61.905   0.054 -13.142
  505   1HG2  ILE  65           HG22     ILE  65  60.098  -1.631 -16.158
  506   2HG2  ILE  65           HG21     ILE  65  60.379  -2.707 -14.790
  507   3HG2  ILE  65           HG23     ILE  65  58.776  -2.023 -15.058
  508   1HD1  ILE  65           HD11     ILE  65  60.661  -1.948 -12.079
  509   2HD1  ILE  65           HD13     ILE  65  61.569  -2.942 -13.219
  510   3HD1  ILE  65           HD12     ILE  65  62.423  -1.961 -12.028
  511    H    SER  66           HN       SER  66  58.047  -0.481 -15.890
  512    HA   SER  66           HA       SER  66  56.104   1.234 -14.693
  513   1HB   SER  66           HB2      SER  66  55.524   2.744 -16.363
  514   2HB   SER  66           HB1      SER  66  57.269   2.675 -16.583
  515    HG   SER  66           HG       SER  66  56.653   2.187 -18.558
  516    H    HIS  67           HN       HIS  67  56.634  -1.581 -15.276
  517    HA   HIS  67           HA       HIS  67  54.007  -2.239 -16.490
  518   1HB   HIS  67           HB2      HIS  67  56.327  -2.453 -17.972
  519   2HB   HIS  67           HB1      HIS  67  56.141  -4.080 -17.324
  520    HD1  HIS  67           HD1      HIS  67  55.494  -4.891 -19.767
  521    HD2  HIS  67           HD2      HIS  67  52.827  -2.179 -18.062
  522    HE1  HIS  67           HE1      HIS  67  53.388  -4.978 -21.173
  523    H    LYS  68           HN       LYS  68  54.891  -5.137 -16.483
  524    HA   LYS  68           HA       LYS  68  53.909  -6.015 -14.063
  525   1HB   LYS  68           HB2      LYS  68  56.289  -7.234 -15.497
  526   2HB   LYS  68           HB1      LYS  68  55.236  -8.065 -14.352
  527   1HG   LYS  68           HG2      LYS  68  53.648  -6.796 -16.405
  528   2HG   LYS  68           HG1      LYS  68  54.870  -7.833 -17.143
  529   1HD   LYS  68           HD2      LYS  68  53.089  -8.740 -14.868
  530   2HD   LYS  68           HD1      LYS  68  52.692  -8.999 -16.567
  531   1HE   LYS  68           HE2      LYS  68  54.969 -10.114 -16.804
  532   2HE   LYS  68           HE1      LYS  68  55.077 -10.071 -15.043
  533   1HZ   LYS  68           HZ3      LYS  68  52.845 -11.314 -16.555
  534   2HZ   LYS  68           HZ2      LYS  68  54.169 -12.171 -15.923
  535   3HZ   LYS  68           HZ1      LYS  68  53.094 -11.371 -14.878
  536    H    ASP  69           HN       ASP  69  57.300  -5.149 -14.689
  537    HA   ASP  69           HA       ASP  69  58.300  -5.663 -12.099
  538   1HB   ASP  69           HB2      ASP  69  59.266  -4.525 -14.542
  539   2HB   ASP  69           HB1      ASP  69  59.659  -3.418 -13.226
  540    H    MET  70           HN       MET  70  57.449  -2.490 -13.560
  541    HA   MET  70           HA       MET  70  57.430  -1.167 -10.979
  542   1HB   MET  70           HB2      MET  70  57.888   0.219 -12.864
  543   2HB   MET  70           HB1      MET  70  56.472  -0.370 -13.734
  544   1HG   MET  70           HG2      MET  70  55.018   0.965 -12.550
  545   2HG   MET  70           HG1      MET  70  55.998   0.913 -11.086
  546   1HE   MET  70           HE1      MET  70  54.418   2.833 -13.083
  547   2HE   MET  70           HE3      MET  70  55.280   4.360 -13.319
  548   3HE   MET  70           HE2      MET  70  55.406   3.079 -14.520
  549    H    GLN  71           HN       GLN  71  54.700  -1.530 -13.275
  550    HA   GLN  71           HA       GLN  71  52.576  -0.960 -11.648
  551   1HB   GLN  71           HB2      GLN  71  52.131  -1.639 -13.901
  552   2HB   GLN  71           HB1      GLN  71  52.834  -3.234 -13.629
  553   1HG   GLN  71           HG2      GLN  71  50.904  -4.040 -12.776
  554   2HG   GLN  71           HG1      GLN  71  50.701  -2.637 -11.728
  555   1HE2  GLN  71           HE22     GLN  71  48.643  -0.866 -14.060
  556   2HE2  GLN  71           HE21     GLN  71  49.674  -0.679 -12.724
  557    H    LEU  72           HN       LEU  72  54.453  -3.992 -11.558
  558    HA   LEU  72           HA       LEU  72  52.908  -4.759  -9.107
  559   1HB   LEU  72           HB2      LEU  72  53.845  -6.262 -11.398
  560   2HB   LEU  72           HB1      LEU  72  54.511  -6.932  -9.907
  561    HG   LEU  72           HG       LEU  72  52.218  -6.984  -8.958
  562   1HD1  LEU  72           HD11     LEU  72  51.748  -5.227 -11.114
  563   2HD1  LEU  72           HD13     LEU  72  50.814  -6.682 -11.459
  564   3HD1  LEU  72           HD12     LEU  72  50.568  -5.815  -9.943
  565   1HD2  LEU  72           HD23     LEU  72  53.236  -8.571 -11.146
  566   2HD2  LEU  72           HD22     LEU  72  52.230  -9.085  -9.792
  567   3HD2  LEU  72           HD21     LEU  72  51.480  -8.464 -11.262
  568    H    GLY  73           HN       GLY  73  56.133  -5.676 -10.239
  569   1HA   GLY  73           HA2      GLY  73  57.473  -5.914  -7.873
  570   2HA   GLY  73           HA1      GLY  73  58.251  -5.252  -9.312
  571    H    ARG  74           HN       ARG  74  56.407  -2.946  -9.388
  572    HA   ARG  74           HA       ARG  74  56.466  -0.711  -8.636
  573   1HB   ARG  74           HB2      ARG  74  56.657  -2.091  -5.940
  574   2HB   ARG  74           HB1      ARG  74  56.180  -0.417  -6.210
  575   1HG   ARG  74           HG2      ARG  74  54.560  -2.003  -7.911
  576   2HG   ARG  74           HG1      ARG  74  54.554  -2.786  -6.329
  577   1HD   ARG  74           HD2      ARG  74  54.228  -0.284  -5.484
  578   2HD   ARG  74           HD1      ARG  74  53.567  -0.071  -7.106
  579    HE   ARG  74           HE       ARG  74  52.311  -2.357  -6.154
  580   1HH1  ARG  74           HH12     ARG  74  51.192   0.533  -6.615
  581   2HH1  ARG  74           HH11     ARG  74  50.361   0.763  -5.113
  582   1HH2  ARG  74           HH21     ARG  74  51.902  -1.918  -3.545
  583   2HH2  ARG  74           HH22     ARG  74  50.763  -0.624  -3.375
   
  No H/Q in entry =         583
  Start of MODEL   11
    1    H    MET   1           HN       MET   1  53.953 -10.215  -9.590
    2    HA   MET   1           HA       MET   1  55.110  -9.934  -7.560
    3   1HB   MET   1           HB2      MET   1  56.961  -8.516  -9.465
    4   2HB   MET   1           HB1      MET   1  57.277  -8.611  -7.731
    5   1HG   MET   1           HG2      MET   1  58.236 -10.616  -8.132
    6   2HG   MET   1           HG1      MET   1  56.609 -11.225  -8.432
    7   1HE   MET   1           HE1      MET   1  59.562 -11.801  -9.262
    8   2HE   MET   1           HE3      MET   1  58.643 -12.987 -10.198
    9   3HE   MET   1           HE2      MET   1  59.804 -11.934 -11.002
   10    H    LEU   2           HN       LEU   2  53.024  -8.488  -7.302
   11    HA   LEU   2           HA       LEU   2  53.456  -5.618  -7.276
   12   1HB   LEU   2           HB2      LEU   2  51.193  -6.796  -7.388
   13   2HB   LEU   2           HB1      LEU   2  51.398  -7.159  -5.676
   14    HG   LEU   2           HG       LEU   2  51.617  -4.749  -5.188
   15   1HD1  LEU   2           HD13     LEU   2  51.159  -4.485  -8.174
   16   2HD1  LEU   2           HD12     LEU   2  51.039  -3.141  -7.038
   17   3HD1  LEU   2           HD11     LEU   2  52.581  -3.966  -7.268
   18   1HD2  LEU   2           HD22     LEU   2  49.292  -6.135  -5.974
   19   2HD2  LEU   2           HD21     LEU   2  49.373  -4.684  -4.974
   20   3HD2  LEU   2           HD23     LEU   2  49.165  -4.542  -6.719
   21    H    GLN   3           HN       GLN   3  55.008  -7.867  -5.558
   22    HA   GLN   3           HA       GLN   3  55.963  -6.138  -3.534
   23   1HB   GLN   3           HB2      GLN   3  54.813  -6.906  -1.552
   24   2HB   GLN   3           HB1      GLN   3  53.583  -6.410  -2.713
   25   1HG   GLN   3           HG2      GLN   3  53.980  -9.057  -3.376
   26   2HG   GLN   3           HG1      GLN   3  54.142  -9.075  -1.620
   27   1HE2  GLN   3           HE22     GLN   3  50.484  -8.712  -3.227
   28   2HE2  GLN   3           HE21     GLN   3  51.856  -9.126  -4.136
   29    H    LYS   4           HN       LYS   4  57.474  -7.680  -5.009
   30    HA   LYS   4           HA       LYS   4  57.863 -10.277  -3.620
   31   1HB   LYS   4           HB2      LYS   4  57.877  -9.716  -6.276
   32   2HB   LYS   4           HB1      LYS   4  59.597  -9.565  -5.914
   33   1HG   LYS   4           HG2      LYS   4  57.950 -11.941  -5.023
   34   2HG   LYS   4           HG1      LYS   4  58.806 -11.902  -6.565
   35   1HD   LYS   4           HD2      LYS   4  60.519 -12.773  -5.329
   36   2HD   LYS   4           HD1      LYS   4  60.786 -11.083  -4.897
   37   1HE   LYS   4           HE2      LYS   4  60.728 -12.301  -2.834
   38   2HE   LYS   4           HE1      LYS   4  59.187 -11.450  -2.950
   39   1HZ   LYS   4           HZ1      LYS   4  59.111 -14.011  -4.214
   40   2HZ   LYS   4           HZ3      LYS   4  59.526 -14.133  -2.574
   41   3HZ   LYS   4           HZ2      LYS   4  58.083 -13.359  -3.029
   42    H    LYS   5           HN       LYS   5  59.950  -7.601  -4.825
   43    HA   LYS   5           HA       LYS   5  62.083  -8.422  -3.029
   44   1HB   LYS   5           HB2      LYS   5  63.372  -7.096  -4.355
   45   2HB   LYS   5           HB1      LYS   5  61.950  -6.995  -5.387
   46   1HG   LYS   5           HG2      LYS   5  61.265  -4.927  -4.405
   47   2HG   LYS   5           HG1      LYS   5  62.454  -5.072  -3.120
   48   1HD   LYS   5           HD2      LYS   5  63.061  -4.715  -6.066
   49   2HD   LYS   5           HD1      LYS   5  63.275  -3.500  -4.806
   50   1HE   LYS   5           HE2      LYS   5  64.713  -5.468  -3.697
   51   2HE   LYS   5           HE1      LYS   5  64.902  -5.929  -5.389
   52   1HZ   LYS   5           HZ3      LYS   5  65.347  -3.151  -4.479
   53   2HZ   LYS   5           HZ2      LYS   5  66.585  -4.313  -4.422
   54   3HZ   LYS   5           HZ1      LYS   5  65.878  -3.893  -5.909
   55    H    ILE   6           HN       ILE   6  59.294  -6.490  -2.808
   56    HA   ILE   6           HA       ILE   6  60.367  -4.924  -0.532
   57    HB   ILE   6           HB       ILE   6  57.581  -4.761  -1.667
   58   1HG1  ILE   6           HG12     ILE   6  59.539  -4.623  -3.404
   59   2HG1  ILE   6           HG11     ILE   6  58.313  -3.346  -3.402
   60   1HG2  ILE   6           HG21     ILE   6  59.300  -3.223   0.178
   61   2HG2  ILE   6           HG23     ILE   6  58.427  -2.244  -0.998
   62   3HG2  ILE   6           HG22     ILE   6  57.543  -3.314   0.092
   63   1HD1  ILE   6           HD12     ILE   6  60.527  -2.822  -1.549
   64   2HD1  ILE   6           HD11     ILE   6  61.040  -2.937  -3.232
   65   3HD1  ILE   6           HD13     ILE   6  59.806  -1.767  -2.764
   66    H    GLU   7           HN       GLU   7  58.158  -7.550  -1.283
   67    HA   GLU   7           HA       GLU   7  56.977  -7.593   1.393
   68   1HB   GLU   7           HB2      GLU   7  55.757  -8.534  -0.551
   69   2HB   GLU   7           HB1      GLU   7  57.038  -9.728  -0.768
   70   1HG   GLU   7           HG2      GLU   7  55.021 -10.564   0.512
   71   2HG   GLU   7           HG1      GLU   7  56.559 -10.747   1.356
   72    H    GLU   8           HN       GLU   8  59.771  -8.819  -0.228
   73    HA   GLU   8           HA       GLU   8  60.412 -10.881   1.719
   74   1HB   GLU   8           HB2      GLU   8  62.482 -11.096   0.510
   75   2HB   GLU   8           HB1      GLU   8  61.222 -10.806  -0.690
   76   1HG   GLU   8           HG2      GLU   8  61.802  -8.400  -0.733
   77   2HG   GLU   8           HG1      GLU   8  63.063  -8.698   0.479
   78    H    ILE   9           HN       ILE   9  61.519  -7.541   1.095
   79    HA   ILE   9           HA       ILE   9  63.356  -7.517   3.320
   80    HB   ILE   9           HB       ILE   9  63.257  -5.946   1.238
   81   1HG1  ILE   9           HG12     ILE   9  64.948  -5.678   2.940
   82   2HG1  ILE   9           HG11     ILE   9  64.268  -4.085   2.613
   83   1HG2  ILE   9           HG21     ILE   9  60.929  -5.197   1.617
   84   2HG2  ILE   9           HG23     ILE   9  61.418  -4.480   3.152
   85   3HG2  ILE   9           HG22     ILE   9  62.057  -3.841   1.638
   86   1HD1  ILE   9           HD11     ILE   9  62.619  -4.689   4.563
   87   2HD1  ILE   9           HD13     ILE   9  63.864  -5.858   5.005
   88   3HD1  ILE   9           HD12     ILE   9  64.248  -4.137   4.948
   89    H    ALA  10           HN       ALA  10  59.995  -6.581   2.852
   90    HA   ALA  10           HA       ALA  10  59.583  -5.359   5.405
   91   1HB   ALA  10           HB2      ALA  10  57.959  -6.281   3.171
   92   2HB   ALA  10           HB1      ALA  10  57.187  -6.625   4.719
   93   3HB   ALA  10           HB3      ALA  10  57.647  -4.972   4.311
   94    H    ALA  11           HN       ALA  11  59.080  -8.681   4.237
   95    HA   ALA  11           HA       ALA  11  58.246  -9.738   6.771
   96   1HB   ALA  11           HB3      ALA  11  57.866 -10.885   4.594
   97   2HB   ALA  11           HB2      ALA  11  59.600 -11.182   4.476
   98   3HB   ALA  11           HB1      ALA  11  58.663 -11.928   5.771
   99    H    LYS  12           HN       LYS  12  61.413  -9.107   5.337
  100    HA   LYS  12           HA       LYS  12  62.713 -10.683   7.467
  101   1HB   LYS  12           HB2      LYS  12  64.724 -10.414   6.321
  102   2HB   LYS  12           HB1      LYS  12  63.556 -10.366   5.004
  103   1HG   LYS  12           HG2      LYS  12  64.467  -8.392   4.426
  104   2HG   LYS  12           HG1      LYS  12  63.714  -7.714   5.869
  105   1HD   LYS  12           HD2      LYS  12  65.957  -7.156   6.205
  106   2HD   LYS  12           HD1      LYS  12  65.846  -8.685   7.076
  107   1HE   LYS  12           HE2      LYS  12  66.378  -9.347   4.376
  108   2HE   LYS  12           HE1      LYS  12  67.477  -8.032   4.793
  109   1HZ   LYS  12           HZ3      LYS  12  67.095 -10.513   6.379
  110   2HZ   LYS  12           HZ2      LYS  12  68.404 -10.206   5.340
  111   3HZ   LYS  12           HZ1      LYS  12  68.182  -9.261   6.734
  112    H    TYR  13           HN       TYR  13  61.118  -8.672   8.510
  113    HA   TYR  13           HA       TYR  13  63.124  -6.689   9.492
  114   1HB   TYR  13           HB2      TYR  13  60.155  -6.563   9.095
  115   2HB   TYR  13           HB1      TYR  13  60.899  -5.580  10.354
  116    HD1  TYR  13           HD1      TYR  13  63.479  -4.846   9.263
  117    HD2  TYR  13           HD2      TYR  13  59.678  -5.134   7.284
  118    HE1  TYR  13           HE1      TYR  13  64.242  -3.212   7.562
  119    HE2  TYR  13           HE2      TYR  13  60.443  -3.502   5.582
  120    HH   TYR  13           HH       TYR  13  63.114  -1.553   5.975
  121    H    LYS  14           HN       LYS  14  63.516  -6.624  11.687
  122    HA   LYS  14           HA       LYS  14  62.505  -8.887  13.271
  123   1HB   LYS  14           HB2      LYS  14  64.652  -6.828  13.575
  124   2HB   LYS  14           HB1      LYS  14  63.999  -7.555  15.044
  125   1HG   LYS  14           HG2      LYS  14  64.801  -9.658  14.529
  126   2HG   LYS  14           HG1      LYS  14  64.708  -9.381  12.790
  127   1HD   LYS  14           HD2      LYS  14  66.563  -7.493  13.710
  128   2HD   LYS  14           HD1      LYS  14  66.952  -8.971  14.591
  129   1HE   LYS  14           HE2      LYS  14  66.532  -8.884  11.593
  130   2HE   LYS  14           HE1      LYS  14  68.116  -8.747  12.356
  131   1HZ   LYS  14           HZ1      LYS  14  66.761 -10.931  13.475
  132   2HZ   LYS  14           HZ3      LYS  14  66.677 -11.069  11.787
  133   3HZ   LYS  14           HZ2      LYS  14  68.187 -10.933  12.553
  134    H    HIS  15           HN       HIS  15  60.433  -7.146  12.577
  135    HA   HIS  15           HA       HIS  15  59.354  -6.488  15.164
  136   1HB   HIS  15           HB2      HIS  15  60.947  -4.478  13.889
  137   2HB   HIS  15           HB1      HIS  15  59.264  -3.949  13.870
  138    HD1  HIS  15           HD1      HIS  15  61.989  -3.382  15.884
  139    HD2  HIS  15           HD2      HIS  15  58.212  -4.911  16.766
  140    HE1  HIS  15           HE1      HIS  15  61.638  -3.038  18.368
  141    H    SER  16           HN       SER  16  57.388  -7.356  14.667
  142    HA   SER  16           HA       SER  16  56.089  -7.633  12.262
  143   1HB   SER  16           HB2      SER  16  55.188  -8.446  14.411
  144   2HB   SER  16           HB1      SER  16  54.757  -6.797  14.852
  145    HG   SER  16           HG       SER  16  53.595  -6.890  12.702
  146    H    VAL  17           HN       VAL  17  55.988  -4.616  14.223
  147    HA   VAL  17           HA       VAL  17  54.134  -3.229  12.586
  148    HB   VAL  17           HB       VAL  17  56.429  -2.129  14.234
  149   1HG1  VAL  17           HG11     VAL  17  54.511  -0.865  12.482
  150   2HG1  VAL  17           HG13     VAL  17  54.223  -0.362  14.148
  151   3HG1  VAL  17           HG12     VAL  17  55.810  -0.123  13.416
  152   1HG2  VAL  17           HG22     VAL  17  53.997  -3.460  14.949
  153   2HG2  VAL  17           HG21     VAL  17  55.190  -2.724  16.018
  154   3HG2  VAL  17           HG23     VAL  17  53.845  -1.762  15.401
  155    H    VAL  18           HN       VAL  18  57.678  -3.486  12.334
  156    HA   VAL  18           HA       VAL  18  58.065  -1.541  10.315
  157    HB   VAL  18           HB       VAL  18  59.543  -4.178  10.442
  158   1HG1  VAL  18           HG13     VAL  18  59.881  -2.344   8.613
  159   2HG1  VAL  18           HG12     VAL  18  60.683  -1.454   9.906
  160   3HG1  VAL  18           HG11     VAL  18  61.300  -3.025   9.407
  161   1HG2  VAL  18           HG22     VAL  18  59.189  -2.560  12.628
  162   2HG2  VAL  18           HG21     VAL  18  60.607  -3.570  12.356
  163   3HG2  VAL  18           HG23     VAL  18  60.640  -1.869  11.910
  164    H    LYS  19           HN       LYS  19  56.535  -4.639  10.205
  165    HA   LYS  19           HA       LYS  19  56.846  -5.229   7.422
  166   1HB   LYS  19           HB2      LYS  19  55.512  -6.382   9.604
  167   2HB   LYS  19           HB1      LYS  19  54.236  -5.998   8.448
  168   1HG   LYS  19           HG2      LYS  19  55.238  -7.304   6.742
  169   2HG   LYS  19           HG1      LYS  19  56.780  -7.383   7.595
  170   1HD   LYS  19           HD2      LYS  19  55.755  -9.512   7.933
  171   2HD   LYS  19           HD1      LYS  19  55.528  -8.632   9.445
  172   1HE   LYS  19           HE2      LYS  19  53.262  -8.384   9.126
  173   2HE   LYS  19           HE1      LYS  19  53.410  -8.331   7.369
  174   1HZ   LYS  19           HZ1      LYS  19  54.207 -10.805   7.807
  175   2HZ   LYS  19           HZ3      LYS  19  53.185 -10.628   9.150
  176   3HZ   LYS  19           HZ2      LYS  19  52.571 -10.404   7.581
  177    H    LYS  20           HN       LYS  20  54.086  -3.676   9.117
  178    HA   LYS  20           HA       LYS  20  52.685  -2.935   6.756
  179   1HB   LYS  20           HB2      LYS  20  51.494  -2.785   8.809
  180   2HB   LYS  20           HB1      LYS  20  52.736  -1.771   9.541
  181   1HG   LYS  20           HG2      LYS  20  51.720   0.090   8.783
  182   2HG   LYS  20           HG1      LYS  20  51.782  -0.512   7.125
  183   1HD   LYS  20           HD2      LYS  20  49.469  -0.238   7.576
  184   2HD   LYS  20           HD1      LYS  20  49.757  -1.967   7.764
  185   1HE   LYS  20           HE2      LYS  20  48.798  -1.743   9.802
  186   2HE   LYS  20           HE1      LYS  20  50.313  -0.980  10.287
  187   1HZ   LYS  20           HZ2      LYS  20  48.653   0.866   8.920
  188   2HZ   LYS  20           HZ1      LYS  20  47.813   0.179  10.229
  189   3HZ   LYS  20           HZ3      LYS  20  49.296   0.961  10.490
  190    H    CYS  21           HN       CYS  21  55.067  -1.134   8.698
  191    HA   CYS  21           HA       CYS  21  55.056   1.315   7.355
  192   1HB   CYS  21           HB2      CYS  21  57.375  -0.247   8.522
  193   2HB   CYS  21           HB1      CYS  21  57.512   1.420   7.966
  194    H    CYS  22           HN       CYS  22  57.009  -1.561   6.521
  195    HA   CYS  22           HA       CYS  22  58.043  -0.376   4.098
  196   1HB   CYS  22           HB2      CYS  22  59.329  -2.157   4.983
  197   2HB   CYS  22           HB1      CYS  22  57.919  -3.193   5.184
  198    H    TYR  23           HN       TYR  23  55.120  -2.043   4.980
  199    HA   TYR  23           HA       TYR  23  54.304  -2.957   2.421
  200   1HB   TYR  23           HB2      TYR  23  53.086  -2.534   5.005
  201   2HB   TYR  23           HB1      TYR  23  51.985  -2.074   3.721
  202    HD1  TYR  23           HD2      TYR  23  51.761  -3.700   1.708
  203    HD2  TYR  23           HD1      TYR  23  53.351  -4.755   5.547
  204    HE1  TYR  23           HE2      TYR  23  51.323  -6.095   1.225
  205    HE2  TYR  23           HE1      TYR  23  52.919  -7.113   5.066
  206    HH   TYR  23           HH       TYR  23  51.723  -8.206   1.915
  207    H    ASP  24           HN       ASP  24  53.493   0.099   4.099
  208    HA   ASP  24           HA       ASP  24  52.249   1.301   1.806
  209   1HB   ASP  24           HB2      ASP  24  53.646   2.928   3.913
  210   2HB   ASP  24           HB1      ASP  24  52.121   3.253   3.095
  211    H    GLY  25           HN       GLY  25  55.540   1.545   3.177
  212   1HA   GLY  25           HA2      GLY  25  56.753   3.378   1.520
  213   2HA   GLY  25           HA1      GLY  25  57.568   1.881   1.999
  214    H    ALA  26           HN       ALA  26  56.388  -0.094   0.674
  215    HA   ALA  26           HA       ALA  26  57.179   0.238  -2.060
  216   1HB   ALA  26           HB2      ALA  26  56.448  -1.904  -0.408
  217   2HB   ALA  26           HB1      ALA  26  55.230  -1.889  -1.681
  218   3HB   ALA  26           HB3      ALA  26  56.939  -2.007  -2.098
  219    H    CYS  27           HN       CYS  27  54.025   0.401  -0.429
  220    HA   CYS  27           HA       CYS  27  52.622   0.831  -2.981
  221   1HB   CYS  27           HB2      CYS  27  51.763   0.738  -0.089
  222   2HB   CYS  27           HB1      CYS  27  50.661   1.274  -1.357
  223    HG   CYS  27           HG       CYS  27  50.235  -1.170  -1.600
  224    H    VAL  28           HN       VAL  28  54.684   2.734  -1.585
  225    HA   VAL  28           HA       VAL  28  53.904   5.118  -0.658
  226    HB   VAL  28           HB       VAL  28  56.148   4.953  -1.407
  227   1HG1  VAL  28           HG12     VAL  28  54.874   3.838  -3.776
  228   2HG1  VAL  28           HG11     VAL  28  56.134   4.999  -4.199
  229   3HG1  VAL  28           HG13     VAL  28  56.519   3.613  -3.179
  230   1HG2  VAL  28           HG23     VAL  28  54.654   7.165  -2.023
  231   2HG2  VAL  28           HG22     VAL  28  56.406   7.077  -2.208
  232   3HG2  VAL  28           HG21     VAL  28  55.356   6.780  -3.594
  233    H    ASN  29           HN       ASN  29  52.819   7.006  -1.357
  234    HA   ASN  29           HA       ASN  29  50.646   6.617  -3.205
  235   1HB   ASN  29           HB2      ASN  29  51.599   8.723  -1.408
  236   2HB   ASN  29           HB1      ASN  29  50.904   9.364  -2.898
  237   1HD2  ASN  29           HD22     ASN  29  48.477   7.129  -0.430
  238   2HD2  ASN  29           HD21     ASN  29  50.151   6.846  -0.415
  239    H    ASN  30           HN       ASN  30  53.828   8.148  -3.475
  240    HA   ASN  30           HA       ASN  30  53.463   8.166  -6.419
  241   1HB   ASN  30           HB2      ASN  30  52.968  10.469  -5.189
  242   2HB   ASN  30           HB1      ASN  30  54.728  10.581  -5.182
  243   1HD2  ASN  30           HD22     ASN  30  54.412  11.952  -8.437
  244   2HD2  ASN  30           HD21     ASN  30  54.848  12.243  -6.822
  245    H    ASP  31           HN       ASP  31  55.911   9.492  -4.164
  246    HA   ASP  31           HA       ASP  31  57.792   7.350  -4.697
  247   1HB   ASP  31           HB2      ASP  31  59.375   8.572  -6.064
  248   2HB   ASP  31           HB1      ASP  31  57.807   8.628  -6.870
  249    H    GLU  32           HN       GLU  32  60.050   9.391  -4.505
  250    HA   GLU  32           HA       GLU  32  61.004   9.351  -2.058
  251   1HB   GLU  32           HB2      GLU  32  61.449  11.085  -4.041
  252   2HB   GLU  32           HB1      GLU  32  60.636  12.177  -2.920
  253   1HG   GLU  32           HG2      GLU  32  63.016  12.262  -2.463
  254   2HG   GLU  32           HG1      GLU  32  62.229  11.419  -1.128
  255    H    THR  33           HN       THR  33  58.231  11.565  -2.696
  256    HA   THR  33           HA       THR  33  58.001  12.135   0.171
  257    HB   THR  33           HB       THR  33  55.727  13.156  -0.890
  258    HG1  THR  33           HG1      THR  33  56.602  13.981  -2.998
  259   1HG2  THR  33           HG21     THR  33  58.548  14.232  -0.905
  260   2HG2  THR  33           HG23     THR  33  57.170  15.226  -1.374
  261   3HG2  THR  33           HG22     THR  33  57.262  14.559   0.256
  262    H    CYS  34           HN       CYS  34  57.751   9.378  -0.306
  263    HA   CYS  34           HA       CYS  34  55.130   8.399  -0.686
  264   1HB   CYS  34           HB2      CYS  34  56.116   6.783   1.385
  265   2HB   CYS  34           HB1      CYS  34  56.217   6.457  -0.334
  266    H    GLU  35           HN       GLU  35  56.292   8.119   2.637
  267    HA   GLU  35           HA       GLU  35  53.700   8.752   3.714
  268   1HB   GLU  35           HB2      GLU  35  56.391   8.802   5.107
  269   2HB   GLU  35           HB1      GLU  35  54.826   8.726   5.905
  270   1HG   GLU  35           HG2      GLU  35  55.573   6.661   3.853
  271   2HG   GLU  35           HG1      GLU  35  56.123   6.502   5.521
  272    H    GLN  36           HN       GLN  36  56.618  10.655   3.095
  273    HA   GLN  36           HA       GLN  36  56.005  13.019   4.497
  274   1HB   GLN  36           HB2      GLN  36  57.084  12.855   1.657
  275   2HB   GLN  36           HB1      GLN  36  57.272  14.212   2.769
  276   1HG   GLN  36           HG2      GLN  36  58.315  12.353   4.345
  277   2HG   GLN  36           HG1      GLN  36  58.606  11.531   2.811
  278   1HE2  GLN  36           HE22     GLN  36  61.347  13.579   2.007
  279   2HE2  GLN  36           HE21     GLN  36  60.481  12.148   1.716
  280    H    ARG  37           HN       ARG  37  54.643  11.579   1.641
  281    HA   ARG  37           HA       ARG  37  52.869  13.869   1.095
  282   1HB   ARG  37           HB2      ARG  37  53.735  12.487  -0.788
  283   2HB   ARG  37           HB1      ARG  37  52.911  11.080  -0.114
  284   1HG   ARG  37           HG2      ARG  37  51.204  11.729  -1.476
  285   2HG   ARG  37           HG1      ARG  37  50.864  12.880  -0.183
  286   1HD   ARG  37           HD2      ARG  37  52.939  13.938  -1.879
  287   2HD   ARG  37           HD1      ARG  37  51.557  13.464  -2.868
  288    HE   ARG  37           HE       ARG  37  50.441  14.861  -0.733
  289   1HH1  ARG  37           HH12     ARG  37  53.248  16.199  -1.117
  290   2HH1  ARG  37           HH11     ARG  37  52.789  17.562  -2.084
  291   1HH2  ARG  37           HH21     ARG  37  49.658  16.296  -2.864
  292   2HH2  ARG  37           HH22     ARG  37  50.758  17.617  -3.071
  293    H    ALA  38           HN       ALA  38  52.811  10.658   2.576
  294    HA   ALA  38           HA       ALA  38  50.114  10.147   2.944
  295   1HB   ALA  38           HB3      ALA  38  52.448   9.852   4.844
  296   2HB   ALA  38           HB2      ALA  38  50.824   9.375   5.326
  297   3HB   ALA  38           HB1      ALA  38  51.602   8.590   3.952
  298    H    ALA  39           HN       ALA  39  52.076  12.024   5.221
  299    HA   ALA  39           HA       ALA  39  50.405  14.299   5.344
  300   1HB   ALA  39           HB3      ALA  39  49.468  11.984   6.939
  301   2HB   ALA  39           HB2      ALA  39  49.567  13.508   7.822
  302   3HB   ALA  39           HB1      ALA  39  48.572  13.392   6.370
  303    H    ARG  40           HN       ARG  40  52.162  11.995   7.322
  304    HA   ARG  40           HA       ARG  40  54.411  13.645   7.829
  305   1HB   ARG  40           HB2      ARG  40  52.097  14.193   9.526
  306   2HB   ARG  40           HB1      ARG  40  53.505  13.688  10.461
  307   1HG   ARG  40           HG2      ARG  40  54.777  15.382   8.883
  308   2HG   ARG  40           HG1      ARG  40  53.171  16.085   8.694
  309   1HD   ARG  40           HD2      ARG  40  53.223  16.979  10.766
  310   2HD   ARG  40           HD1      ARG  40  53.755  15.457  11.479
  311    HE   ARG  40           HE       ARG  40  56.031  16.163  11.211
  312   1HH1  ARG  40           HH12     ARG  40  53.855  18.169   9.466
  313   2HH1  ARG  40           HH11     ARG  40  54.912  19.541   9.452
  314   1HH2  ARG  40           HH21     ARG  40  57.361  18.008  11.370
  315   2HH2  ARG  40           HH22     ARG  40  56.898  19.448  10.528
  316    H    ILE  41           HN       ILE  41  55.777  11.881   7.932
  317    HA   ILE  41           HA       ILE  41  55.020   9.307   8.777
  318    HB   ILE  41           HB       ILE  41  57.192   9.827   7.614
  319   1HG1  ILE  41           HG12     ILE  41  58.446   8.094   8.894
  320   2HG1  ILE  41           HG11     ILE  41  57.259   8.239  10.190
  321   1HG2  ILE  41           HG21     ILE  41  57.665  11.717   9.364
  322   2HG2  ILE  41           HG23     ILE  41  58.311  10.401  10.342
  323   3HG2  ILE  41           HG22     ILE  41  59.011  10.747   8.762
  324   1HD1  ILE  41           HD12     ILE  41  56.276   7.773   7.398
  325   2HD1  ILE  41           HD11     ILE  41  56.938   6.410   8.300
  326   3HD1  ILE  41           HD13     ILE  41  55.550   7.297   8.932
  327    H    SER  42           HN       SER  42  53.799   9.281  10.591
  328    HA   SER  42           HA       SER  42  55.349   9.694  13.042
  329   1HB   SER  42           HB2      SER  42  53.792  11.067  14.102
  330   2HB   SER  42           HB1      SER  42  53.792  11.705  12.457
  331    HG   SER  42           HG       SER  42  51.836  10.370  13.857
  332    H    LEU  43           HN       LEU  43  54.996   7.305  11.980
  333    HA   LEU  43           HA       LEU  43  52.841   6.177  13.662
  334   1HB   LEU  43           HB2      LEU  43  53.827   5.473  10.956
  335   2HB   LEU  43           HB1      LEU  43  53.491   4.105  12.017
  336    HG   LEU  43           HG       LEU  43  51.457   6.279  11.947
  337   1HD1  LEU  43           HD12     LEU  43  52.281   5.742   9.533
  338   2HD1  LEU  43           HD11     LEU  43  51.468   4.195   9.770
  339   3HD1  LEU  43           HD13     LEU  43  50.547   5.697   9.858
  340   1HD2  LEU  43           HD21     LEU  43  51.684   3.681  12.965
  341   2HD2  LEU  43           HD23     LEU  43  50.205   4.638  12.871
  342   3HD2  LEU  43           HD22     LEU  43  50.610   3.513  11.576
  343    H    GLY  44           HN       GLY  44  56.145   6.597  13.315
  344   1HA   GLY  44           HA2      GLY  44  57.064   5.498  15.610
  345   2HA   GLY  44           HA1      GLY  44  56.905   4.053  14.612
  346    HA   PRO  45           HA       PRO  45  61.016   6.238  13.665
  347   1HB   PRO  45           HB2      PRO  45  62.641   4.589  15.082
  348   2HB   PRO  45           HB1      PRO  45  61.897   6.032  15.780
  349   1HG   PRO  45           HG2      PRO  45  61.225   3.185  16.212
  350   2HG   PRO  45           HG1      PRO  45  61.053   4.567  17.303
  351   1HD   PRO  45           HD2      PRO  45  59.000   3.363  15.845
  352   2HD   PRO  45           HD1      PRO  45  58.914   4.931  16.650
  353    H    ARG  46           HN       ARG  46  60.662   2.715  14.265
  354    HA   ARG  46           HA       ARG  46  62.364   1.831  12.199
  355   1HB   ARG  46           HB2      ARG  46  61.418  -0.293  12.506
  356   2HB   ARG  46           HB1      ARG  46  61.104   0.493  14.050
  357   1HG   ARG  46           HG2      ARG  46  59.092   0.490  11.787
  358   2HG   ARG  46           HG1      ARG  46  59.127  -0.747  13.039
  359   1HD   ARG  46           HD2      ARG  46  58.967   2.208  13.662
  360   2HD   ARG  46           HD1      ARG  46  57.545   1.183  13.488
  361    HE   ARG  46           HE       ARG  46  59.204   1.304  15.811
  362   1HH1  ARG  46           HH12     ARG  46  59.896  -1.429  14.768
  363   2HH1  ARG  46           HH11     ARG  46  58.678  -2.411  15.512
  364   1HH2  ARG  46           HH21     ARG  46  56.635   0.267  16.324
  365   2HH2  ARG  46           HH22     ARG  46  56.834  -1.451  16.393
  366    H    CYS  47           HN       CYS  47  59.187   3.184  12.082
  367    HA   CYS  47           HA       CYS  47  58.380   2.300   9.450
  368   1HB   CYS  47           HB2      CYS  47  57.303   3.860  11.521
  369   2HB   CYS  47           HB1      CYS  47  57.503   4.993  10.178
  370    H    ILE  48           HN       ILE  48  59.618   5.454  10.547
  371    HA   ILE  48           HA       ILE  48  59.897   6.833   8.246
  372    HB   ILE  48           HB       ILE  48  61.164   6.846  10.792
  373   1HG1  ILE  48           HG12     ILE  48  61.755   9.238   9.440
  374   2HG1  ILE  48           HG11     ILE  48  60.252   8.651   8.724
  375   1HG2  ILE  48           HG22     ILE  48  63.083   7.117   8.481
  376   2HG2  ILE  48           HG21     ILE  48  63.355   7.931  10.020
  377   3HG2  ILE  48           HG23     ILE  48  63.272   6.172   9.958
  378   1HD1  ILE  48           HD13     ILE  48  60.559   8.584  11.706
  379   2HD1  ILE  48           HD12     ILE  48  60.186  10.119  10.920
  380   3HD1  ILE  48           HD11     ILE  48  59.094   8.746  10.738
  381    H    LYS  49           HN       LYS  49  62.566   4.625   9.272
  382    HA   LYS  49           HA       LYS  49  63.667   4.718   6.561
  383   1HB   LYS  49           HB2      LYS  49  64.504   3.585   9.187
  384   2HB   LYS  49           HB1      LYS  49  65.192   2.869   7.728
  385   1HG   LYS  49           HG2      LYS  49  65.179   5.762   7.539
  386   2HG   LYS  49           HG1      LYS  49  66.029   5.236   8.991
  387   1HD   LYS  49           HD2      LYS  49  66.554   4.152   6.208
  388   2HD   LYS  49           HD1      LYS  49  67.530   5.389   7.000
  389   1HE   LYS  49           HE2      LYS  49  67.745   3.678   8.939
  390   2HE   LYS  49           HE1      LYS  49  67.198   2.490   7.756
  391   1HZ   LYS  49           HZ3      LYS  49  69.118   3.942   6.455
  392   2HZ   LYS  49           HZ2      LYS  49  69.747   3.738   8.020
  393   3HZ   LYS  49           HZ1      LYS  49  69.301   2.382   7.097
  394    H    ALA  50           HN       ALA  50  61.523   2.570   8.290
  395    HA   ALA  50           HA       ALA  50  62.121   0.258   6.662
  396   1HB   ALA  50           HB2      ALA  50  59.643   0.929   8.280
  397   2HB   ALA  50           HB1      ALA  50  59.996  -0.646   7.570
  398   3HB   ALA  50           HB3      ALA  50  61.025  -0.006   8.849
  399    H    PHE  51           HN       PHE  51  59.275   2.368   6.812
  400    HA   PHE  51           HA       PHE  51  58.285   1.587   4.298
  401   1HB   PHE  51           HB2      PHE  51  56.602   3.069   4.691
  402   2HB   PHE  51           HB1      PHE  51  57.238   3.022   6.324
  403    HD1  PHE  51           HD2      PHE  51  57.493   4.899   3.085
  404    HD2  PHE  51           HD1      PHE  51  58.046   4.992   7.328
  405    HE1  PHE  51           HE2      PHE  51  57.970   7.334   2.984
  406    HE2  PHE  51           HE1      PHE  51  58.516   7.409   7.224
  407    HZ   PHE  51           HZ       PHE  51  58.478   8.583   5.064
  408    H    THR  52           HN       THR  52  60.221   4.438   5.275
  409    HA   THR  52           HA       THR  52  60.308   5.608   2.706
  410    HB   THR  52           HB       THR  52  62.452   5.620   4.847
  411    HG1  THR  52           HG1      THR  52  61.455   7.463   5.496
  412   1HG2  THR  52           HG21     THR  52  62.197   6.980   2.200
  413   2HG2  THR  52           HG23     THR  52  62.876   7.899   3.543
  414   3HG2  THR  52           HG22     THR  52  63.641   6.396   3.028
  415    H    GLU  53           HN       GLU  53  62.329   3.094   4.136
  416    HA   GLU  53           HA       GLU  53  64.202   2.855   2.001
  417   1HB   GLU  53           HB2      GLU  53  64.698   1.956   4.187
  418   2HB   GLU  53           HB1      GLU  53  63.301   0.888   4.080
  419   1HG   GLU  53           HG2      GLU  53  65.510  -0.225   3.543
  420   2HG   GLU  53           HG1      GLU  53  64.289  -0.362   2.277
  421    H    CYS  54           HN       CYS  54  61.132   1.207   2.658
  422    HA   CYS  54           HA       CYS  54  61.403  -0.590   0.381
  423   1HB   CYS  54           HB2      CYS  54  59.302   0.021   2.413
  424   2HB   CYS  54           HB1      CYS  54  58.812  -0.779   0.918
  425    H    CYS  55           HN       CYS  55  60.161   2.565   0.978
  426    HA   CYS  55           HA       CYS  55  58.607   2.695  -1.501
  427   1HB   CYS  55           HB2      CYS  55  57.605   4.168  -0.066
  428   2HB   CYS  55           HB1      CYS  55  59.054   4.336   0.908
  429    H    VAL  56           HN       VAL  56  61.829   3.406  -0.369
  430    HA   VAL  56           HA       VAL  56  62.527   5.023  -2.716
  431    HB   VAL  56           HB       VAL  56  64.316   3.692  -0.647
  432   1HG1  VAL  56           HG12     VAL  56  64.770   5.540  -2.957
  433   2HG1  VAL  56           HG11     VAL  56  65.782   5.716  -1.523
  434   3HG1  VAL  56           HG13     VAL  56  65.748   4.184  -2.397
  435   1HG2  VAL  56           HG21     VAL  56  62.508   5.788  -0.272
  436   2HG2  VAL  56           HG23     VAL  56  63.881   5.401   0.764
  437   3HG2  VAL  56           HG22     VAL  56  64.056   6.596  -0.521
  438    H    VAL  57           HN       VAL  57  63.033   1.719  -1.552
  439    HA   VAL  57           HA       VAL  57  64.592   0.905  -3.831
  440    HB   VAL  57           HB       VAL  57  63.977  -1.394  -3.097
  441   1HG1  VAL  57           HG13     VAL  57  64.778   0.594  -0.959
  442   2HG1  VAL  57           HG12     VAL  57  64.832  -1.151  -0.705
  443   3HG1  VAL  57           HG11     VAL  57  65.842  -0.408  -1.946
  444   1HG2  VAL  57           HG21     VAL  57  62.206   0.104  -1.143
  445   2HG2  VAL  57           HG23     VAL  57  61.657  -0.948  -2.446
  446   3HG2  VAL  57           HG22     VAL  57  62.535  -1.627  -1.077
  447    H    ALA  58           HN       ALA  58  61.211   0.912  -2.886
  448    HA   ALA  58           HA       ALA  58  60.147  -0.249  -5.287
  449   1HB   ALA  58           HB1      ALA  58  59.048   1.557  -3.130
  450   2HB   ALA  58           HB3      ALA  58  58.074   1.127  -4.536
  451   3HB   ALA  58           HB2      ALA  58  58.648  -0.132  -3.441
  452    H    SER  59           HN       SER  59  61.347   2.829  -4.305
  453    HA   SER  59           HA       SER  59  60.188   4.491  -6.302
  454   1HB   SER  59           HB2      SER  59  61.516   5.090  -4.177
  455   2HB   SER  59           HB1      SER  59  62.937   4.934  -5.204
  456    HG   SER  59           HG       SER  59  62.191   7.058  -5.259
  457    H    GLN  60           HN       GLN  60  63.372   2.917  -6.155
  458    HA   GLN  60           HA       GLN  60  64.132   3.605  -8.845
  459   1HB   GLN  60           HB2      GLN  60  65.252   2.229  -6.591
  460   2HB   GLN  60           HB1      GLN  60  65.423   1.217  -8.026
  461   1HG   GLN  60           HG2      GLN  60  66.746   2.782  -9.133
  462   2HG   GLN  60           HG1      GLN  60  66.057   4.136  -8.235
  463   1HE2  GLN  60           HE22     GLN  60  68.079   3.213  -5.257
  464   2HE2  GLN  60           HE21     GLN  60  66.430   3.432  -5.593
  465    H    LEU  61           HN       LEU  61  62.266   1.064  -7.401
  466    HA   LEU  61           HA       LEU  61  62.420  -0.801  -9.594
  467   1HB   LEU  61           HB2      LEU  61  60.590  -0.401  -7.235
  468   2HB   LEU  61           HB1      LEU  61  60.240  -1.630  -8.441
  469    HG   LEU  61           HG       LEU  61  62.664  -1.417  -6.686
  470   1HD1  LEU  61           HD11     LEU  61  60.193  -2.757  -6.453
  471   2HD1  LEU  61           HD13     LEU  61  61.380  -3.996  -6.859
  472   3HD1  LEU  61           HD12     LEU  61  61.619  -2.976  -5.441
  473   1HD2  LEU  61           HD23     LEU  61  62.201  -2.916  -9.240
  474   2HD2  LEU  61           HD22     LEU  61  63.672  -2.136  -8.660
  475   3HD2  LEU  61           HD21     LEU  61  63.162  -3.678  -7.973
  476    H    ARG  62           HN       ARG  62  60.364   1.921  -8.713
  477    HA   ARG  62           HA       ARG  62  58.779   1.471 -11.168
  478   1HB   ARG  62           HB2      ARG  62  57.143   2.992 -10.261
  479   2HB   ARG  62           HB1      ARG  62  57.586   1.853  -8.992
  480   1HG   ARG  62           HG2      ARG  62  58.974   3.456  -7.900
  481   2HG   ARG  62           HG1      ARG  62  58.931   4.544  -9.288
  482   1HD   ARG  62           HD2      ARG  62  57.109   5.554  -8.435
  483   2HD   ARG  62           HD1      ARG  62  56.233   4.028  -8.536
  484    HE   ARG  62           HE       ARG  62  56.456   3.841  -6.200
  485   1HH1  ARG  62           HH12     ARG  62  58.243   6.512  -7.337
  486   2HH1  ARG  62           HH11     ARG  62  59.164   6.704  -5.884
  487   1HH2  ARG  62           HH21     ARG  62  57.925   3.834  -4.393
  488   2HH2  ARG  62           HH22     ARG  62  58.982   5.194  -4.221
  489    H    ALA  63           HN       ALA  63  61.516   3.176 -10.275
  490    HA   ALA  63           HA       ALA  63  60.885   5.570 -11.888
  491   1HB   ALA  63           HB3      ALA  63  62.371   5.430  -9.714
  492   2HB   ALA  63           HB2      ALA  63  63.630   4.939 -10.848
  493   3HB   ALA  63           HB1      ALA  63  62.840   6.506 -11.030
  494    H    ASN  64           HN       ASN  64  63.107   2.777 -11.999
  495    HA   ASN  64           HA       ASN  64  63.859   3.514 -14.771
  496   1HB   ASN  64           HB2      ASN  64  65.383   2.526 -12.778
  497   2HB   ASN  64           HB1      ASN  64  64.874   1.010 -13.523
  498   1HD2  ASN  64           HD22     ASN  64  67.892   1.924 -15.401
  499   2HD2  ASN  64           HD21     ASN  64  67.485   1.304 -13.874
  500    H    ILE  65           HN       ILE  65  61.253   2.116 -13.555
  501    HA   ILE  65           HA       ILE  65  61.000   0.258 -15.865
  502    HB   ILE  65           HB       ILE  65  59.860  -0.562 -13.211
  503   1HG1  ILE  65           HG12     ILE  65  62.705  -1.078 -14.137
  504   2HG1  ILE  65           HG11     ILE  65  62.241  -0.071 -12.766
  505   1HG2  ILE  65           HG21     ILE  65  60.470  -1.751 -15.862
  506   2HG2  ILE  65           HG23     ILE  65  60.757  -2.794 -14.470
  507   3HG2  ILE  65           HG22     ILE  65  59.154  -2.110 -14.743
  508   1HD1  ILE  65           HD11     ILE  65  61.145  -2.050 -11.723
  509   2HD1  ILE  65           HD13     ILE  65  61.720  -3.043 -13.062
  510   3HD1  ILE  65           HD12     ILE  65  62.875  -2.291 -11.963
  511    H    SER  66           HN       SER  66  58.463  -0.592 -15.593
  512    HA   SER  66           HA       SER  66  56.548   1.246 -14.571
  513   1HB   SER  66           HB2      SER  66  57.884   2.311 -16.771
  514   2HB   SER  66           HB1      SER  66  56.394   1.670 -17.457
  515    HG   SER  66           HG       SER  66  55.826   3.638 -16.742
  516    H    HIS  67           HN       HIS  67  56.974  -1.620 -14.978
  517    HA   HIS  67           HA       HIS  67  54.344  -2.234 -16.174
  518   1HB   HIS  67           HB2      HIS  67  56.487  -2.452 -17.809
  519   2HB   HIS  67           HB1      HIS  67  56.523  -4.045 -17.055
  520    HD1  HIS  67           HD1      HIS  67  53.331  -4.156 -16.694
  521    HD2  HIS  67           HD2      HIS  67  55.386  -3.427 -20.247
  522    HE1  HIS  67           HE1      HIS  67  51.752  -4.777 -18.575
  523    H    LYS  68           HN       LYS  68  55.208  -5.141 -16.224
  524    HA   LYS  68           HA       LYS  68  54.204  -6.125 -13.890
  525   1HB   LYS  68           HB2      LYS  68  56.058  -7.110 -15.876
  526   2HB   LYS  68           HB1      LYS  68  56.517  -7.702 -14.279
  527   1HG   LYS  68           HG2      LYS  68  54.178  -8.468 -13.917
  528   2HG   LYS  68           HG1      LYS  68  53.774  -7.944 -15.552
  529   1HD   LYS  68           HD2      LYS  68  55.172  -9.574 -16.545
  530   2HD   LYS  68           HD1      LYS  68  56.044  -9.866 -15.040
  531   1HE   LYS  68           HE2      LYS  68  54.596 -11.720 -15.199
  532   2HE   LYS  68           HE1      LYS  68  53.744 -10.629 -14.106
  533   1HZ   LYS  68           HZ3      LYS  68  53.120 -10.022 -16.798
  534   2HZ   LYS  68           HZ2      LYS  68  52.819 -11.666 -16.492
  535   3HZ   LYS  68           HZ1      LYS  68  52.080 -10.472 -15.537
  536    H    ASP  69           HN       ASP  69  57.636  -5.217 -14.264
  537    HA   ASP  69           HA       ASP  69  58.342  -5.669 -11.546
  538   1HB   ASP  69           HB2      ASP  69  59.596  -4.586 -13.935
  539   2HB   ASP  69           HB1      ASP  69  60.009  -3.629 -12.510
  540    H    MET  70           HN       MET  70  57.699  -2.611 -13.305
  541    HA   MET  70           HA       MET  70  57.620  -1.012 -10.904
  542   1HB   MET  70           HB2      MET  70  58.054  -0.092 -13.180
  543   2HB   MET  70           HB1      MET  70  56.379  -0.435 -13.612
  544   1HG   MET  70           HG2      MET  70  56.938   1.173 -11.145
  545   2HG   MET  70           HG1      MET  70  57.053   1.959 -12.718
  546   1HE   MET  70           HE3      MET  70  55.512   2.016 -10.069
  547   2HE   MET  70           HE2      MET  70  53.920   2.646 -10.482
  548   3HE   MET  70           HE1      MET  70  54.089   0.968  -9.970
  549    H    GLN  71           HN       GLN  71  54.865  -1.513 -13.135
  550    HA   GLN  71           HA       GLN  71  52.802  -0.808 -11.460
  551   1HB   GLN  71           HB2      GLN  71  52.625  -1.680 -13.848
  552   2HB   GLN  71           HB1      GLN  71  52.650  -3.305 -13.162
  553   1HG   GLN  71           HG2      GLN  71  50.439  -3.134 -12.783
  554   2HG   GLN  71           HG1      GLN  71  50.771  -1.832 -11.642
  555   1HE2  GLN  71           HE22     GLN  71  49.434   0.641 -13.753
  556   2HE2  GLN  71           HE21     GLN  71  49.973   0.208 -12.203
  557    H    LEU  72           HN       LEU  72  54.495  -3.965 -11.429
  558    HA   LEU  72           HA       LEU  72  52.918  -4.688  -8.994
  559   1HB   LEU  72           HB2      LEU  72  53.909  -6.160 -11.255
  560   2HB   LEU  72           HB1      LEU  72  54.587  -6.836  -9.774
  561    HG   LEU  72           HG       LEU  72  52.321  -6.986  -8.828
  562   1HD1  LEU  72           HD13     LEU  72  51.821  -5.138 -10.945
  563   2HD1  LEU  72           HD12     LEU  72  50.788  -6.546 -11.188
  564   3HD1  LEU  72           HD11     LEU  72  50.721  -5.654  -9.668
  565   1HD2  LEU  72           HD23     LEU  72  53.272  -8.412 -11.161
  566   2HD2  LEU  72           HD22     LEU  72  52.333  -9.028  -9.802
  567   3HD2  LEU  72           HD21     LEU  72  51.512  -8.315 -11.190
  568    H    GLY  73           HN       GLY  73  56.217  -5.553  -9.962
  569   1HA   GLY  73           HA2      GLY  73  57.398  -5.794  -7.500
  570   2HA   GLY  73           HA1      GLY  73  58.268  -5.139  -8.889
  571    H    ARG  74           HN       ARG  74  56.396  -2.859  -9.093
  572    HA   ARG  74           HA       ARG  74  56.236  -0.657  -8.282
  573   1HB   ARG  74           HB2      ARG  74  56.782  -2.009  -5.621
  574   2HB   ARG  74           HB1      ARG  74  56.179  -0.365  -5.831
  575   1HG   ARG  74           HG2      ARG  74  54.475  -1.950  -7.391
  576   2HG   ARG  74           HG1      ARG  74  54.716  -2.875  -5.908
  577   1HD   ARG  74           HD2      ARG  74  52.902  -1.473  -5.373
  578   2HD   ARG  74           HD1      ARG  74  54.285  -0.616  -4.694
  579    HE   ARG  74           HE       ARG  74  53.663   0.177  -7.437
  580   1HH1  ARG  74           HH12     ARG  74  54.672   2.406  -6.358
  581   2HH1  ARG  74           HH11     ARG  74  53.401   3.251  -5.539
  582   1HH2  ARG  74           HH21     ARG  74  51.300   0.497  -5.395
  583   2HH2  ARG  74           HH22     ARG  74  51.495   2.170  -4.991
   
  No H/Q in entry =         583
  Start of MODEL   12
    1    H    MET   1           HN       MET   1  56.325  -9.861 -10.751
    2    HA   MET   1           HA       MET   1  56.504 -10.621  -7.902
    3   1HB   MET   1           HB2      MET   1  58.229  -8.917  -9.694
    4   2HB   MET   1           HB1      MET   1  58.490  -9.077  -7.959
    5   1HG   MET   1           HG2      MET   1  59.501 -11.062  -8.230
    6   2HG   MET   1           HG1      MET   1  58.116 -11.678  -9.128
    7   1HE   MET   1           HE2      MET   1  57.973 -12.272 -11.072
    8   2HE   MET   1           HE1      MET   1  57.957 -10.868 -12.136
    9   3HE   MET   1           HE3      MET   1  59.108 -12.181 -12.416
   10    H    LEU   2           HN       LEU   2  54.238  -9.493  -7.738
   11    HA   LEU   2           HA       LEU   2  54.211  -6.597  -7.735
   12   1HB   LEU   2           HB2      LEU   2  52.168  -8.109  -7.897
   13   2HB   LEU   2           HB1      LEU   2  52.381  -8.442  -6.180
   14    HG   LEU   2           HG       LEU   2  52.195  -6.030  -5.687
   15   1HD1  LEU   2           HD12     LEU   2  51.848  -5.859  -8.689
   16   2HD1  LEU   2           HD11     LEU   2  51.354  -4.567  -7.594
   17   3HD1  LEU   2           HD13     LEU   2  53.051  -5.037  -7.695
   18   1HD2  LEU   2           HD22     LEU   2  49.986  -7.305  -7.316
   19   2HD2  LEU   2           HD21     LEU   2  50.137  -7.246  -5.560
   20   3HD2  LEU   2           HD23     LEU   2  49.773  -5.776  -6.463
   21    H    GLN   3           HN       GLN   3  56.052  -8.551  -5.913
   22    HA   GLN   3           HA       GLN   3  56.636  -6.638  -3.905
   23   1HB   GLN   3           HB2      GLN   3  55.538  -7.507  -1.947
   24   2HB   GLN   3           HB1      GLN   3  54.290  -7.302  -3.176
   25   1HG   GLN   3           HG2      GLN   3  55.388  -9.894  -3.546
   26   2HG   GLN   3           HG1      GLN   3  55.074  -9.707  -1.820
   27   1HE2  GLN   3           HE22     GLN   3  51.945 -10.796  -3.720
   28   2HE2  GLN   3           HE21     GLN   3  53.540 -11.374  -3.773
   29    H    LYS   4           HN       LYS   4  58.412  -7.994  -5.310
   30    HA   LYS   4           HA       LYS   4  59.159 -10.466  -3.873
   31   1HB   LYS   4           HB2      LYS   4  59.288  -9.921  -6.491
   32   2HB   LYS   4           HB1      LYS   4  60.885  -9.335  -6.023
   33   1HG   LYS   4           HG2      LYS   4  59.794 -12.080  -5.340
   34   2HG   LYS   4           HG1      LYS   4  60.903 -11.744  -6.670
   35   1HD   LYS   4           HD2      LYS   4  62.543 -12.129  -5.150
   36   2HD   LYS   4           HD1      LYS   4  62.159 -10.516  -4.550
   37   1HE   LYS   4           HE2      LYS   4  62.156 -12.189  -2.722
   38   2HE   LYS   4           HE1      LYS   4  60.559 -11.473  -2.945
   39   1HZ   LYS   4           HZ2      LYS   4  61.233 -13.914  -4.425
   40   2HZ   LYS   4           HZ1      LYS   4  60.854 -14.045  -2.774
   41   3HZ   LYS   4           HZ3      LYS   4  59.727 -13.379  -3.853
   42    H    LYS   5           HN       LYS   5  60.747  -7.370  -4.761
   43    HA   LYS   5           HA       LYS   5  62.877  -7.891  -2.841
   44   1HB   LYS   5           HB2      LYS   5  63.992  -6.231  -3.953
   45   2HB   LYS   5           HB1      LYS   5  62.722  -6.446  -5.153
   46   1HG   LYS   5           HG2      LYS   5  61.424  -4.643  -4.194
   47   2HG   LYS   5           HG1      LYS   5  62.571  -4.474  -2.871
   48   1HD   LYS   5           HD2      LYS   5  63.147  -3.992  -5.807
   49   2HD   LYS   5           HD1      LYS   5  63.020  -2.756  -4.554
   50   1HE   LYS   5           HE2      LYS   5  64.914  -3.957  -3.347
   51   2HE   LYS   5           HE1      LYS   5  65.131  -4.910  -4.816
   52   1HZ   LYS   5           HZ1      LYS   5  65.188  -2.614  -5.953
   53   2HZ   LYS   5           HZ3      LYS   5  65.535  -2.021  -4.402
   54   3HZ   LYS   5           HZ2      LYS   5  66.571  -3.157  -5.127
   55    H    ILE   6           HN       ILE   6  59.786  -6.470  -2.809
   56    HA   ILE   6           HA       ILE   6  60.373  -4.788  -0.450
   57    HB   ILE   6           HB       ILE   6  57.738  -5.177  -1.876
   58   1HG1  ILE   6           HG12     ILE   6  59.775  -4.546  -3.339
   59   2HG1  ILE   6           HG11     ILE   6  58.365  -3.473  -3.406
   60   1HG2  ILE   6           HG22     ILE   6  58.702  -3.552   0.327
   61   2HG2  ILE   6           HG21     ILE   6  58.095  -2.541  -0.981
   62   3HG2  ILE   6           HG23     ILE   6  57.053  -3.764  -0.255
   63   1HD1  ILE   6           HD12     ILE   6  60.270  -2.785  -1.274
   64   2HD1  ILE   6           HD11     ILE   6  60.943  -2.649  -2.899
   65   3HD1  ILE   6           HD13     ILE   6  59.492  -1.744  -2.466
   66    H    GLU   7           HN       GLU   7  58.548  -7.716  -1.316
   67    HA   GLU   7           HA       GLU   7  57.384  -7.942   1.349
   68   1HB   GLU   7           HB2      GLU   7  56.340  -9.883   0.580
   69   2HB   GLU   7           HB1      GLU   7  56.565  -9.004  -0.930
   70   1HG   GLU   7           HG2      GLU   7  57.397 -11.111  -1.494
   71   2HG   GLU   7           HG1      GLU   7  58.869 -10.278  -0.995
   72    H    GLU   8           HN       GLU   8  60.338  -8.786  -0.208
   73    HA   GLU   8           HA       GLU   8  61.156 -10.848   1.652
   74   1HB   GLU   8           HB2      GLU   8  63.292 -10.715   0.561
   75   2HB   GLU   8           HB1      GLU   8  62.074 -10.481  -0.693
   76   1HG   GLU   8           HG2      GLU   8  62.360  -8.030  -0.541
   77   2HG   GLU   8           HG1      GLU   8  63.563  -8.263   0.743
   78    H    ILE   9           HN       ILE   9  61.894  -7.365   1.323
   79    HA   ILE   9           HA       ILE   9  63.535  -7.318   3.705
   80    HB   ILE   9           HB       ILE   9  63.520  -5.670   1.694
   81   1HG1  ILE   9           HG12     ILE   9  64.966  -5.386   3.638
   82   2HG1  ILE   9           HG11     ILE   9  64.278  -3.823   3.194
   83   1HG2  ILE   9           HG23     ILE   9  61.088  -5.159   1.888
   84   2HG2  ILE   9           HG22     ILE   9  61.402  -4.399   3.449
   85   3HG2  ILE   9           HG21     ILE   9  62.098  -3.716   1.980
   86   1HD1  ILE   9           HD12     ILE   9  62.379  -4.565   4.896
   87   2HD1  ILE   9           HD11     ILE   9  63.681  -5.555   5.557
   88   3HD1  ILE   9           HD13     ILE   9  63.863  -3.804   5.470
   89    H    ALA  10           HN       ALA  10  60.156  -6.716   2.964
   90    HA   ALA  10           HA       ALA  10  59.389  -5.607   5.488
   91   1HB   ALA  10           HB2      ALA  10  57.943  -7.137   3.335
   92   2HB   ALA  10           HB1      ALA  10  57.123  -6.689   4.830
   93   3HB   ALA  10           HB3      ALA  10  57.777  -5.438   3.775
   94    H    ALA  11           HN       ALA  11  59.427  -8.930   4.243
   95    HA   ALA  11           HA       ALA  11  58.499 -10.133   6.686
   96   1HB   ALA  11           HB3      ALA  11  59.328 -11.000   4.058
   97   2HB   ALA  11           HB2      ALA  11  60.069 -12.016   5.294
   98   3HB   ALA  11           HB1      ALA  11  58.316 -11.839   5.232
   99    H    LYS  12           HN       LYS  12  61.691  -9.214   5.454
  100    HA   LYS  12           HA       LYS  12  62.961 -10.683   7.688
  101   1HB   LYS  12           HB2      LYS  12  65.064 -10.114   6.733
  102   2HB   LYS  12           HB1      LYS  12  64.010 -10.468   5.367
  103   1HG   LYS  12           HG2      LYS  12  64.601  -8.458   4.557
  104   2HG   LYS  12           HG1      LYS  12  63.597  -7.758   5.828
  105   1HD   LYS  12           HD2      LYS  12  65.537  -6.734   6.453
  106   2HD   LYS  12           HD1      LYS  12  65.893  -8.286   7.209
  107   1HE   LYS  12           HE2      LYS  12  66.653  -7.582   4.361
  108   2HE   LYS  12           HE1      LYS  12  67.747  -7.432   5.737
  109   1HZ   LYS  12           HZ2      LYS  12  66.351  -9.967   5.131
  110   2HZ   LYS  12           HZ1      LYS  12  67.834  -9.573   4.402
  111   3HZ   LYS  12           HZ3      LYS  12  67.733  -9.722   6.089
  112    H    TYR  13           HN       TYR  13  61.170  -8.782   8.607
  113    HA   TYR  13           HA       TYR  13  62.934  -6.595   9.602
  114   1HB   TYR  13           HB2      TYR  13  59.977  -6.831   9.183
  115   2HB   TYR  13           HB1      TYR  13  60.559  -5.791  10.477
  116    HD1  TYR  13           HD1      TYR  13  63.077  -4.738   9.392
  117    HD2  TYR  13           HD2      TYR  13  59.298  -5.389   7.459
  118    HE1  TYR  13           HE1      TYR  13  63.617  -2.969   7.742
  119    HE2  TYR  13           HE2      TYR  13  59.839  -3.625   5.809
  120    HH   TYR  13           HH       TYR  13  61.734  -2.483   4.892
  121    H    LYS  14           HN       LYS  14  63.195  -6.337  11.817
  122    HA   LYS  14           HA       LYS  14  62.590  -8.710  13.455
  123   1HB   LYS  14           HB2      LYS  14  64.356  -6.321  13.690
  124   2HB   LYS  14           HB1      LYS  14  63.774  -7.030  15.197
  125   1HG   LYS  14           HG2      LYS  14  64.602  -9.248  14.456
  126   2HG   LYS  14           HG1      LYS  14  65.226  -8.507  12.982
  127   1HD   LYS  14           HD2      LYS  14  66.414  -6.875  14.707
  128   2HD   LYS  14           HD1      LYS  14  66.209  -8.245  15.798
  129   1HE   LYS  14           HE2      LYS  14  68.188  -8.927  14.883
  130   2HE   LYS  14           HE1      LYS  14  67.144  -9.525  13.593
  131   1HZ   LYS  14           HZ3      LYS  14  67.439  -7.387  12.458
  132   2HZ   LYS  14           HZ2      LYS  14  68.522  -6.896  13.671
  133   3HZ   LYS  14           HZ1      LYS  14  68.908  -8.209  12.664
  134    H    HIS  15           HN       HIS  15  60.287  -7.272  12.626
  135    HA   HIS  15           HA       HIS  15  58.965  -6.871  15.140
  136   1HB   HIS  15           HB2      HIS  15  60.374  -4.603  14.119
  137   2HB   HIS  15           HB1      HIS  15  58.648  -4.294  13.938
  138    HD1  HIS  15           HD1      HIS  15  61.330  -4.473  16.457
  139    HD2  HIS  15           HD2      HIS  15  57.162  -4.548  16.466
  140    HE1  HIS  15           HE1      HIS  15  60.611  -4.045  18.847
  141    H    SER  16           HN       SER  16  57.174  -7.965  14.428
  142    HA   SER  16           HA       SER  16  56.106  -8.249  11.918
  143   1HB   SER  16           HB2      SER  16  54.866  -8.088  14.618
  144   2HB   SER  16           HB1      SER  16  53.782  -8.032  13.232
  145    HG   SER  16           HG       SER  16  55.141 -10.118  14.278
  146    H    VAL  17           HN       VAL  17  55.484  -5.382  14.004
  147    HA   VAL  17           HA       VAL  17  53.622  -4.121  12.278
  148    HB   VAL  17           HB       VAL  17  55.628  -2.688  14.030
  149   1HG1  VAL  17           HG11     VAL  17  54.150  -1.346  12.509
  150   2HG1  VAL  17           HG13     VAL  17  52.750  -2.056  13.313
  151   3HG1  VAL  17           HG12     VAL  17  53.861  -1.029  14.220
  152   1HG2  VAL  17           HG23     VAL  17  53.158  -4.277  14.716
  153   2HG2  VAL  17           HG22     VAL  17  54.739  -4.310  15.495
  154   3HG2  VAL  17           HG21     VAL  17  53.671  -2.927  15.729
  155    H    VAL  18           HN       VAL  18  57.191  -3.911  12.348
  156    HA   VAL  18           HA       VAL  18  57.563  -1.838  10.493
  157    HB   VAL  18           HB       VAL  18  59.162  -4.413  10.478
  158   1HG1  VAL  18           HG11     VAL  18  59.617  -2.692   8.718
  159   2HG1  VAL  18           HG13     VAL  18  59.971  -1.536  10.001
  160   3HG1  VAL  18           HG12     VAL  18  60.986  -2.963   9.797
  161   1HG2  VAL  18           HG23     VAL  18  58.660  -2.906  12.733
  162   2HG2  VAL  18           HG22     VAL  18  60.087  -3.906  12.478
  163   3HG2  VAL  18           HG21     VAL  18  60.145  -2.187  12.116
  164    H    LYS  19           HN       LYS  19  56.280  -5.027  10.042
  165    HA   LYS  19           HA       LYS  19  56.699  -5.348   7.248
  166   1HB   LYS  19           HB2      LYS  19  55.546  -6.889   9.129
  167   2HB   LYS  19           HB1      LYS  19  54.088  -6.221   8.393
  168   1HG   LYS  19           HG2      LYS  19  55.306  -6.845   6.137
  169   2HG   LYS  19           HG1      LYS  19  56.201  -7.964   7.167
  170   1HD   LYS  19           HD2      LYS  19  53.347  -8.037   7.744
  171   2HD   LYS  19           HD1      LYS  19  53.676  -8.406   6.050
  172   1HE   LYS  19           HE2      LYS  19  54.648 -10.390   6.555
  173   2HE   LYS  19           HE1      LYS  19  55.546  -9.703   7.908
  174   1HZ   LYS  19           HZ1      LYS  19  52.635 -10.191   8.065
  175   2HZ   LYS  19           HZ3      LYS  19  53.759 -11.405   8.438
  176   3HZ   LYS  19           HZ2      LYS  19  53.740  -9.963   9.336
  177    H    LYS  20           HN       LYS  20  53.923  -3.901   8.997
  178    HA   LYS  20           HA       LYS  20  52.492  -3.067   6.681
  179   1HB   LYS  20           HB2      LYS  20  51.319  -2.977   8.745
  180   2HB   LYS  20           HB1      LYS  20  52.586  -2.023   9.511
  181   1HG   LYS  20           HG2      LYS  20  51.566  -0.119   8.876
  182   2HG   LYS  20           HG1      LYS  20  51.659  -0.607   7.183
  183   1HD   LYS  20           HD2      LYS  20  49.334  -0.321   7.647
  184   2HD   LYS  20           HD1      LYS  20  49.607  -2.065   7.641
  185   1HE   LYS  20           HE2      LYS  20  48.516  -1.966   9.647
  186   2HE   LYS  20           HE1      LYS  20  50.112  -1.519  10.250
  187   1HZ   LYS  20           HZ2      LYS  20  48.925   0.788   9.249
  188   2HZ   LYS  20           HZ1      LYS  20  47.757   0.018  10.213
  189   3HZ   LYS  20           HZ3      LYS  20  49.269   0.415  10.871
  190    H    CYS  21           HN       CYS  21  54.900  -1.378   8.678
  191    HA   CYS  21           HA       CYS  21  54.935   1.128   7.458
  192   1HB   CYS  21           HB2      CYS  21  57.204  -0.563   8.533
  193   2HB   CYS  21           HB1      CYS  21  57.418   1.112   8.031
  194    H    CYS  22           HN       CYS  22  56.885  -1.704   6.468
  195    HA   CYS  22           HA       CYS  22  57.871  -0.434   4.076
  196   1HB   CYS  22           HB2      CYS  22  59.181  -2.239   4.818
  197   2HB   CYS  22           HB1      CYS  22  57.780  -3.270   5.099
  198    H    TYR  23           HN       TYR  23  54.955  -2.130   4.930
  199    HA   TYR  23           HA       TYR  23  54.105  -2.942   2.354
  200   1HB   TYR  23           HB2      TYR  23  52.920  -2.617   4.956
  201   2HB   TYR  23           HB1      TYR  23  51.812  -2.053   3.721
  202    HD1  TYR  23           HD2      TYR  23  51.574  -3.563   1.594
  203    HD2  TYR  23           HD1      TYR  23  53.064  -4.862   5.396
  204    HE1  TYR  23           HE2      TYR  23  51.058  -5.913   0.986
  205    HE2  TYR  23           HE1      TYR  23  52.556  -7.179   4.792
  206    HH   TYR  23           HH       TYR  23  51.509  -8.098   1.569
  207    H    ASP  24           HN       ASP  24  53.377   0.073   4.133
  208    HA   ASP  24           HA       ASP  24  52.125   1.374   1.901
  209   1HB   ASP  24           HB2      ASP  24  53.594   2.891   4.040
  210   2HB   ASP  24           HB1      ASP  24  52.078   3.298   3.242
  211    H    GLY  25           HN       GLY  25  55.449   1.518   3.224
  212   1HA   GLY  25           HA2      GLY  25  56.650   3.383   1.594
  213   2HA   GLY  25           HA1      GLY  25  57.457   1.867   2.017
  214    H    ALA  26           HN       ALA  26  56.227  -0.056   0.658
  215    HA   ALA  26           HA       ALA  26  56.973   0.363  -2.083
  216   1HB   ALA  26           HB3      ALA  26  56.371  -1.839  -0.495
  217   2HB   ALA  26           HB2      ALA  26  55.051  -1.801  -1.664
  218   3HB   ALA  26           HB1      ALA  26  56.722  -1.881  -2.222
  219    H    CYS  27           HN       CYS  27  53.883   0.513  -0.357
  220    HA   CYS  27           HA       CYS  27  52.383   0.948  -2.854
  221   1HB   CYS  27           HB2      CYS  27  51.648   0.837   0.069
  222   2HB   CYS  27           HB1      CYS  27  50.497   1.419  -1.135
  223    HG   CYS  27           HG       CYS  27  50.711  -0.930  -2.342
  224    H    VAL  28           HN       VAL  28  54.499   2.827  -1.443
  225    HA   VAL  28           HA       VAL  28  53.760   5.216  -0.512
  226    HB   VAL  28           HB       VAL  28  55.987   5.074  -1.274
  227   1HG1  VAL  28           HG12     VAL  28  54.694   4.083  -3.767
  228   2HG1  VAL  28           HG11     VAL  28  56.232   4.927  -3.942
  229   3HG1  VAL  28           HG13     VAL  28  56.127   3.489  -2.928
  230   1HG2  VAL  28           HG21     VAL  28  54.612   7.288  -1.865
  231   2HG2  VAL  28           HG23     VAL  28  56.299   7.109  -2.343
  232   3HG2  VAL  28           HG22     VAL  28  55.015   6.809  -3.513
  233    H    ASN  29           HN       ASN  29  52.631   7.092  -1.165
  234    HA   ASN  29           HA       ASN  29  50.346   6.875  -2.750
  235   1HB   ASN  29           HB2      ASN  29  51.973   9.107  -1.707
  236   2HB   ASN  29           HB1      ASN  29  51.012   9.510  -3.130
  237   1HD2  ASN  29           HD22     ASN  29  47.967   9.525  -1.363
  238   2HD2  ASN  29           HD21     ASN  29  48.782   9.840  -2.817
  239    H    ASN  30           HN       ASN  30  52.823   9.083  -3.966
  240    HA   ASN  30           HA       ASN  30  52.640   7.680  -6.603
  241   1HB   ASN  30           HB2      ASN  30  52.703   9.789  -7.727
  242   2HB   ASN  30           HB1      ASN  30  51.504   9.965  -6.445
  243   1HD2  ASN  30           HD22     ASN  30  54.497  12.552  -6.505
  244   2HD2  ASN  30           HD21     ASN  30  53.953  11.656  -7.840
  245    H    ASP  31           HN       ASP  31  54.649   8.762  -7.996
  246    HA   ASP  31           HA       ASP  31  57.012   7.707  -6.696
  247   1HB   ASP  31           HB2      ASP  31  56.267   8.184  -9.313
  248   2HB   ASP  31           HB1      ASP  31  57.475   9.436  -9.023
  249    H    GLU  32           HN       GLU  32  57.103   9.089  -4.774
  250    HA   GLU  32           HA       GLU  32  58.934  11.250  -5.009
  251   1HB   GLU  32           HB2      GLU  32  56.534  12.125  -5.886
  252   2HB   GLU  32           HB1      GLU  32  56.340  12.428  -4.159
  253   1HG   GLU  32           HG2      GLU  32  58.800  13.425  -4.431
  254   2HG   GLU  32           HG1      GLU  32  58.259  13.651  -6.095
  255    H    THR  33           HN       THR  33  57.772  12.796  -2.778
  256    HA   THR  33           HA       THR  33  58.843  11.319  -0.585
  257    HB   THR  33           HB       THR  33  57.215  13.111   0.650
  258    HG1  THR  33           HG1      THR  33  57.052  14.898  -0.731
  259   1HG2  THR  33           HG22     THR  33  59.908  13.319  -0.644
  260   2HG2  THR  33           HG21     THR  33  59.198  14.769   0.064
  261   3HG2  THR  33           HG23     THR  33  59.487  13.347   1.067
  262    H    CYS  34           HN       CYS  34  57.824   9.264  -0.570
  263    HA   CYS  34           HA       CYS  34  55.120   8.644  -0.675
  264   1HB   CYS  34           HB2      CYS  34  55.904   7.009   1.403
  265   2HB   CYS  34           HB1      CYS  34  56.069   6.631  -0.300
  266    H    GLU  35           HN       GLU  35  56.318   8.300   2.601
  267    HA   GLU  35           HA       GLU  35  53.867   9.342   3.716
  268   1HB   GLU  35           HB2      GLU  35  56.499   8.912   5.142
  269   2HB   GLU  35           HB1      GLU  35  54.903   8.944   5.876
  270   1HG   GLU  35           HG2      GLU  35  55.459   6.985   3.676
  271   2HG   GLU  35           HG1      GLU  35  56.011   6.631   5.316
  272    H    GLN  36           HN       GLN  36  57.129  10.675   3.289
  273    HA   GLN  36           HA       GLN  36  56.923  13.043   4.772
  274   1HB   GLN  36           HB2      GLN  36  58.990  12.655   3.645
  275   2HB   GLN  36           HB1      GLN  36  58.194  12.476   2.084
  276   1HG   GLN  36           HG2      GLN  36  57.980  14.744   1.775
  277   2HG   GLN  36           HG1      GLN  36  57.807  15.068   3.499
  278   1HE2  GLN  36           HE22     GLN  36  61.514  14.638   3.883
  279   2HE2  GLN  36           HE21     GLN  36  60.155  13.829   4.501
  280    H    ARG  37           HN       ARG  37  55.436  12.088   1.753
  281    HA   ARG  37           HA       ARG  37  54.158  14.736   1.407
  282   1HB   ARG  37           HB2      ARG  37  54.916  13.310  -0.565
  283   2HB   ARG  37           HB1      ARG  37  53.605  12.200  -0.160
  284   1HG   ARG  37           HG2      ARG  37  52.639  13.633  -1.770
  285   2HG   ARG  37           HG1      ARG  37  52.082  14.298  -0.233
  286   1HD   ARG  37           HD2      ARG  37  54.092  15.851  -0.305
  287   2HD   ARG  37           HD1      ARG  37  54.355  15.306  -1.961
  288    HE   ARG  37           HE       ARG  37  52.698  16.872  -2.530
  289   1HH1  ARG  37           HH12     ARG  37  52.578  17.058   0.720
  290   2HH1  ARG  37           HH11     ARG  37  50.857  17.181   0.874
  291   1HH2  ARG  37           HH21     ARG  37  50.234  16.327  -2.428
  292   2HH2  ARG  37           HH22     ARG  37  49.531  16.766  -0.908
  293    H    ALA  38           HN       ALA  38  53.455  11.477   2.550
  294    HA   ALA  38           HA       ALA  38  50.701  11.359   2.698
  295   1HB   ALA  38           HB2      ALA  38  52.724  10.695   4.863
  296   2HB   ALA  38           HB1      ALA  38  51.021  10.257   4.962
  297   3HB   ALA  38           HB3      ALA  38  52.030   9.583   3.685
  298    H    ALA  39           HN       ALA  39  52.730  12.805   5.221
  299    HA   ALA  39           HA       ALA  39  51.380  15.285   5.377
  300   1HB   ALA  39           HB2      ALA  39  50.204  13.112   7.127
  301   2HB   ALA  39           HB1      ALA  39  50.046  14.824   7.520
  302   3HB   ALA  39           HB3      ALA  39  49.350  14.194   6.027
  303    H    ARG  40           HN       ARG  40  52.641  12.652   7.308
  304    HA   ARG  40           HA       ARG  40  55.032  13.947   8.115
  305   1HB   ARG  40           HB2      ARG  40  52.665  14.657   9.680
  306   2HB   ARG  40           HB1      ARG  40  53.924  13.908  10.663
  307   1HG   ARG  40           HG2      ARG  40  55.574  15.513   9.641
  308   2HG   ARG  40           HG1      ARG  40  54.216  16.336   8.876
  309   1HD   ARG  40           HD2      ARG  40  53.395  17.150  10.885
  310   2HD   ARG  40           HD1      ARG  40  54.087  15.825  11.822
  311    HE   ARG  40           HE       ARG  40  56.206  16.980  11.819
  312   1HH1  ARG  40           HH21     ARG  40  55.646  18.182   9.005
  313   2HH1  ARG  40           HH22     ARG  40  55.609  19.868   9.399
  314   1HH2  ARG  40           HH12     ARG  40  55.318  19.334  12.814
  315   2HH2  ARG  40           HH11     ARG  40  55.424  20.521  11.556
  316    H    ILE  41           HN       ILE  41  56.109  11.996   8.100
  317    HA   ILE  41           HA       ILE  41  54.999   9.492   8.646
  318    HB   ILE  41           HB       ILE  41  57.324   9.824   7.761
  319   1HG1  ILE  41           HG12     ILE  41  58.233   7.869   9.020
  320   2HG1  ILE  41           HG11     ILE  41  56.932   8.062  10.193
  321   1HG2  ILE  41           HG22     ILE  41  57.792  11.507   9.733
  322   2HG2  ILE  41           HG21     ILE  41  58.222  10.043  10.618
  323   3HG2  ILE  41           HG23     ILE  41  59.089  10.469   9.144
  324   1HD1  ILE  41           HD13     ILE  41  56.275   7.870   7.267
  325   2HD1  ILE  41           HD12     ILE  41  56.590   6.401   8.192
  326   3HD1  ILE  41           HD11     ILE  41  55.268   7.472   8.660
  327    H    SER  42           HN       SER  42  53.605   9.413  10.311
  328    HA   SER  42           HA       SER  42  54.895   9.597  12.947
  329   1HB   SER  42           HB2      SER  42  53.245  10.903  13.877
  330   2HB   SER  42           HB1      SER  42  53.241  11.543  12.231
  331    HG   SER  42           HG       SER  42  51.428  10.435  11.802
  332    H    LEU  43           HN       LEU  43  54.776   7.288  11.662
  333    HA   LEU  43           HA       LEU  43  52.492   5.938  12.958
  334   1HB   LEU  43           HB2      LEU  43  54.195   5.127  10.590
  335   2HB   LEU  43           HB1      LEU  43  53.105   4.002  11.400
  336    HG   LEU  43           HG       LEU  43  51.635   6.387  10.929
  337   1HD1  LEU  43           HD12     LEU  43  53.410   6.863   9.219
  338   2HD1  LEU  43           HD11     LEU  43  52.999   5.342   8.430
  339   3HD1  LEU  43           HD13     LEU  43  51.809   6.641   8.517
  340   1HD2  LEU  43           HD22     LEU  43  51.403   3.588  10.637
  341   2HD2  LEU  43           HD21     LEU  43  50.125   4.786  10.435
  342   3HD2  LEU  43           HD23     LEU  43  51.074   4.265   9.042
  343    H    GLY  44           HN       GLY  44  55.798   6.538  13.119
  344   1HA   GLY  44           HA2      GLY  44  56.517   5.516  15.469
  345   2HA   GLY  44           HA1      GLY  44  56.400   4.009  14.560
  346    HA   PRO  45           HA       PRO  45  60.678   5.891  13.869
  347   1HB   PRO  45           HB2      PRO  45  62.061   4.066  15.327
  348   2HB   PRO  45           HB1      PRO  45  61.380   5.537  16.031
  349   1HG   PRO  45           HG2      PRO  45  60.468   2.740  16.300
  350   2HG   PRO  45           HG1      PRO  45  60.310   4.095  17.425
  351   1HD   PRO  45           HD2      PRO  45  58.303   3.091  15.756
  352   2HD   PRO  45           HD1      PRO  45  58.254   4.620  16.633
  353    H    ARG  46           HN       ARG  46  60.242   2.366  14.390
  354    HA   ARG  46           HA       ARG  46  61.930   1.475  12.346
  355   1HB   ARG  46           HB2      ARG  46  60.954  -0.611  12.619
  356   2HB   ARG  46           HB1      ARG  46  60.452   0.168  14.114
  357   1HG   ARG  46           HG2      ARG  46  58.750   0.118  11.602
  358   2HG   ARG  46           HG1      ARG  46  58.602  -1.055  12.908
  359   1HD   ARG  46           HD2      ARG  46  58.589   1.743  13.819
  360   2HD   ARG  46           HD1      ARG  46  57.225   1.317  12.787
  361    HE   ARG  46           HE       ARG  46  57.090  -0.728  14.483
  362   1HH1  ARG  46           HH21     ARG  46  58.282  -0.416  16.785
  363   2HH1  ARG  46           HH22     ARG  46  57.536   0.871  17.673
  364   1HH2  ARG  46           HH12     ARG  46  55.957   2.224  14.899
  365   2HH2  ARG  46           HH11     ARG  46  56.221   2.366  16.604
  366    H    CYS  47           HN       CYS  47  58.795   2.955  12.126
  367    HA   CYS  47           HA       CYS  47  58.146   2.186   9.412
  368   1HB   CYS  47           HB2      CYS  47  56.997   3.766  11.495
  369   2HB   CYS  47           HB1      CYS  47  57.113   4.786  10.059
  370    H    ILE  48           HN       ILE  48  59.506   5.210  10.757
  371    HA   ILE  48           HA       ILE  48  59.855   6.738   8.533
  372    HB   ILE  48           HB       ILE  48  62.327   6.320  10.185
  373   1HG1  ILE  48           HG12     ILE  48  60.628   6.165  11.889
  374   2HG1  ILE  48           HG11     ILE  48  61.237   7.817  11.927
  375   1HG2  ILE  48           HG23     ILE  48  61.670   8.129   8.302
  376   2HG2  ILE  48           HG22     ILE  48  61.016   8.948   9.720
  377   3HG2  ILE  48           HG21     ILE  48  62.725   8.517   9.661
  378   1HD1  ILE  48           HD13     ILE  48  59.334   8.537  10.511
  379   2HD1  ILE  48           HD12     ILE  48  58.711   6.888  10.533
  380   3HD1  ILE  48           HD11     ILE  48  58.788   7.821  12.026
  381    H    LYS  49           HN       LYS  49  62.413   4.363   9.430
  382    HA   LYS  49           HA       LYS  49  63.482   4.491   6.708
  383   1HB   LYS  49           HB2      LYS  49  65.193   2.944   7.552
  384   2HB   LYS  49           HB1      LYS  49  64.987   4.311   8.650
  385   1HG   LYS  49           HG2      LYS  49  64.487   2.902  10.327
  386   2HG   LYS  49           HG1      LYS  49  63.120   2.279   9.402
  387   1HD   LYS  49           HD2      LYS  49  65.478   1.186   8.247
  388   2HD   LYS  49           HD1      LYS  49  65.611   0.979   9.994
  389   1HE   LYS  49           HE2      LYS  49  63.173   0.205   8.367
  390   2HE   LYS  49           HE1      LYS  49  64.432  -0.923   8.868
  391   1HZ   LYS  49           HZ2      LYS  49  63.898   0.193  11.191
  392   2HZ   LYS  49           HZ1      LYS  49  62.378   0.399  10.460
  393   3HZ   LYS  49           HZ3      LYS  49  63.040  -1.155  10.616
  394    H    ALA  50           HN       ALA  50  61.241   2.406   8.396
  395    HA   ALA  50           HA       ALA  50  61.703   0.092   6.731
  396   1HB   ALA  50           HB3      ALA  50  59.283   0.937   8.357
  397   2HB   ALA  50           HB2      ALA  50  59.442  -0.625   7.555
  398   3HB   ALA  50           HB1      ALA  50  60.543  -0.188   8.862
  399    H    PHE  51           HN       PHE  51  59.014   2.400   6.855
  400    HA   PHE  51           HA       PHE  51  58.038   1.745   4.295
  401   1HB   PHE  51           HB2      PHE  51  56.431   3.310   4.695
  402   2HB   PHE  51           HB1      PHE  51  57.031   3.193   6.340
  403    HD1  PHE  51           HD2      PHE  51  57.445   5.123   3.149
  404    HD2  PHE  51           HD1      PHE  51  57.948   5.091   7.401
  405    HE1  PHE  51           HE2      PHE  51  58.088   7.521   3.111
  406    HE2  PHE  51           HE1      PHE  51  58.601   7.464   7.351
  407    HZ   PHE  51           HZ       PHE  51  58.660   8.685   5.220
  408    H    THR  52           HN       THR  52  60.078   4.480   5.392
  409    HA   THR  52           HA       THR  52  60.343   5.741   2.906
  410    HB   THR  52           HB       THR  52  62.404   5.411   5.100
  411    HG1  THR  52           HG1      THR  52  61.711   7.707   5.311
  412   1HG2  THR  52           HG23     THR  52  62.573   6.642   2.435
  413   2HG2  THR  52           HG22     THR  52  63.037   7.720   3.751
  414   3HG2  THR  52           HG21     THR  52  63.863   6.175   3.543
  415    H    GLU  53           HN       GLU  53  62.249   3.064   4.214
  416    HA   GLU  53           HA       GLU  53  64.046   2.767   2.045
  417   1HB   GLU  53           HB2      GLU  53  64.504   1.693   4.143
  418   2HB   GLU  53           HB1      GLU  53  62.993   0.796   4.046
  419   1HG   GLU  53           HG2      GLU  53  65.053  -0.529   3.395
  420   2HG   GLU  53           HG1      GLU  53  63.769  -0.500   2.187
  421    H    CYS  54           HN       CYS  54  61.171   0.765   2.772
  422    HA   CYS  54           HA       CYS  54  61.206  -0.668   0.326
  423   1HB   CYS  54           HB2      CYS  54  59.159  -0.104   2.417
  424   2HB   CYS  54           HB1      CYS  54  58.608  -0.762   0.873
  425    H    CYS  55           HN       CYS  55  60.033   2.512   1.079
  426    HA   CYS  55           HA       CYS  55  58.486   2.737  -1.394
  427   1HB   CYS  55           HB2      CYS  55  57.504   4.148   0.118
  428   2HB   CYS  55           HB1      CYS  55  58.987   4.357   1.028
  429    H    VAL  56           HN       VAL  56  61.742   3.371  -0.300
  430    HA   VAL  56           HA       VAL  56  62.379   5.120  -2.556
  431    HB   VAL  56           HB       VAL  56  64.199   3.610  -0.645
  432   1HG1  VAL  56           HG11     VAL  56  64.785   4.864  -3.081
  433   2HG1  VAL  56           HG13     VAL  56  65.256   6.032  -1.846
  434   3HG1  VAL  56           HG12     VAL  56  65.939   4.406  -1.828
  435   1HG2  VAL  56           HG23     VAL  56  62.481   5.710  -0.081
  436   2HG2  VAL  56           HG22     VAL  56  63.926   5.298   0.842
  437   3HG2  VAL  56           HG21     VAL  56  64.006   6.530  -0.419
  438    H    VAL  57           HN       VAL  57  62.987   1.745  -1.658
  439    HA   VAL  57           HA       VAL  57  64.355   1.048  -4.080
  440    HB   VAL  57           HB       VAL  57  63.842  -1.277  -3.379
  441   1HG1  VAL  57           HG11     VAL  57  65.356   0.626  -1.994
  442   2HG1  VAL  57           HG13     VAL  57  64.454  -0.218  -0.735
  443   3HG1  VAL  57           HG12     VAL  57  65.492  -1.125  -1.835
  444   1HG2  VAL  57           HG22     VAL  57  62.157   0.111  -1.272
  445   2HG2  VAL  57           HG21     VAL  57  61.556  -0.919  -2.570
  446   3HG2  VAL  57           HG23     VAL  57  62.536  -1.612  -1.277
  447    H    ALA  58           HN       ALA  58  61.045   0.940  -2.887
  448    HA   ALA  58           HA       ALA  58  59.852  -0.138  -5.262
  449   1HB   ALA  58           HB1      ALA  58  58.758   1.690  -3.099
  450   2HB   ALA  58           HB3      ALA  58  57.766   0.936  -4.348
  451   3HB   ALA  58           HB2      ALA  58  58.599  -0.067  -3.159
  452    H    SER  59           HN       SER  59  61.048   2.913  -4.218
  453    HA   SER  59           HA       SER  59  59.753   4.685  -6.011
  454   1HB   SER  59           HB2      SER  59  61.625   4.840  -4.023
  455   2HB   SER  59           HB1      SER  59  62.532   5.332  -5.447
  456    HG   SER  59           HG       SER  59  60.626   6.661  -4.066
  457    H    GLN  60           HN       GLN  60  62.953   3.158  -6.219
  458    HA   GLN  60           HA       GLN  60  63.476   3.990  -8.925
  459   1HB   GLN  60           HB2      GLN  60  64.799   2.538  -6.826
  460   2HB   GLN  60           HB1      GLN  60  64.924   1.636  -8.338
  461   1HG   GLN  60           HG2      GLN  60  66.038   3.387  -9.435
  462   2HG   GLN  60           HG1      GLN  60  65.423   4.598  -8.306
  463   1HE2  GLN  60           HE22     GLN  60  67.966   4.003  -5.866
  464   2HE2  GLN  60           HE21     GLN  60  66.412   4.642  -6.108
  465    H    LEU  61           HN       LEU  61  61.842   1.292  -7.475
  466    HA   LEU  61           HA       LEU  61  61.916  -0.459  -9.762
  467   1HB   LEU  61           HB2      LEU  61  60.233  -0.253  -7.270
  468   2HB   LEU  61           HB1      LEU  61  59.883  -1.463  -8.496
  469    HG   LEU  61           HG       LEU  61  62.396  -1.143  -6.888
  470   1HD1  LEU  61           HD13     LEU  61  60.052  -2.904  -6.849
  471   2HD1  LEU  61           HD12     LEU  61  61.582  -3.782  -6.834
  472   3HD1  LEU  61           HD11     LEU  61  61.237  -2.589  -5.582
  473   1HD2  LEU  61           HD23     LEU  61  61.876  -2.580  -9.464
  474   2HD2  LEU  61           HD22     LEU  61  63.325  -1.723  -8.941
  475   3HD2  LEU  61           HD21     LEU  61  62.962  -3.321  -8.288
  476    H    ARG  62           HN       ARG  62  59.815   2.112  -8.602
  477    HA   ARG  62           HA       ARG  62  58.066   1.722 -10.956
  478   1HB   ARG  62           HB2      ARG  62  56.447   3.102  -9.841
  479   2HB   ARG  62           HB1      ARG  62  57.068   1.965  -8.643
  480   1HG   ARG  62           HG2      ARG  62  58.532   3.636  -7.708
  481   2HG   ARG  62           HG1      ARG  62  58.171   4.761  -9.017
  482   1HD   ARG  62           HD2      ARG  62  56.910   5.306  -6.943
  483   2HD   ARG  62           HD1      ARG  62  55.841   4.913  -8.287
  484    HE   ARG  62           HE       ARG  62  56.474   3.014  -6.061
  485   1HH1  ARG  62           HH21     ARG  62  53.992   4.857  -7.184
  486   2HH1  ARG  62           HH22     ARG  62  52.873   3.562  -7.452
  487   1HH2  ARG  62           HH12     ARG  62  55.240   1.069  -7.004
  488   2HH2  ARG  62           HH11     ARG  62  53.580   1.418  -7.351
  489    H    ALA  63           HN       ALA  63  60.792   3.519 -10.144
  490    HA   ALA  63           HA       ALA  63  59.925   5.902 -11.686
  491   1HB   ALA  63           HB1      ALA  63  62.482   5.308 -10.168
  492   2HB   ALA  63           HB3      ALA  63  62.133   6.826 -10.994
  493   3HB   ALA  63           HB2      ALA  63  61.153   6.327  -9.616
  494    H    ASN  64           HN       ASN  64  61.975   3.068 -11.957
  495    HA   ASN  64           HA       ASN  64  63.076   4.097 -14.525
  496   1HB   ASN  64           HB2      ASN  64  64.335   2.770 -12.515
  497   2HB   ASN  64           HB1      ASN  64  63.872   1.414 -13.545
  498   1HD2  ASN  64           HD22     ASN  64  66.926   2.177 -15.234
  499   2HD2  ASN  64           HD21     ASN  64  66.195   1.132 -14.114
  500    H    ILE  65           HN       ILE  65  61.927   0.894 -13.399
  501    HA   ILE  65           HA       ILE  65  61.143   0.106 -16.066
  502    HB   ILE  65           HB       ILE  65  59.964  -1.183 -13.630
  503   1HG1  ILE  65           HG12     ILE  65  62.435  -2.411 -13.966
  504   2HG1  ILE  65           HG11     ILE  65  62.814  -0.692 -14.091
  505   1HG2  ILE  65           HG22     ILE  65  60.601  -1.843 -16.412
  506   2HG2  ILE  65           HG21     ILE  65  61.164  -3.067 -15.274
  507   3HG2  ILE  65           HG23     ILE  65  59.460  -2.613 -15.310
  508   1HD1  ILE  65           HD12     ILE  65  61.606  -0.282 -11.968
  509   2HD1  ILE  65           HD11     ILE  65  61.269  -2.009 -11.837
  510   3HD1  ILE  65           HD13     ILE  65  62.931  -1.425 -11.747
  511    H    SER  66           HN       SER  66  58.646  -0.911 -15.987
  512    HA   SER  66           HA       SER  66  56.664   0.803 -14.793
  513   1HB   SER  66           HB2      SER  66  57.826   1.649 -17.336
  514   2HB   SER  66           HB1      SER  66  56.084   1.415 -17.448
  515    HG   SER  66           HG       SER  66  57.413   3.425 -16.344
  516    H    HIS  67           HN       HIS  67  57.288  -2.058 -15.385
  517    HA   HIS  67           HA       HIS  67  54.602  -2.784 -16.381
  518   1HB   HIS  67           HB2      HIS  67  55.430  -4.333 -18.037
  519   2HB   HIS  67           HB1      HIS  67  56.161  -2.761 -18.361
  520    HD1  HIS  67           HD1      HIS  67  58.659  -2.437 -17.327
  521    HD2  HIS  67           HD2      HIS  67  57.282  -6.362 -17.618
  522    HE1  HIS  67           HE1      HIS  67  60.697  -3.928 -17.130
  523    H    LYS  68           HN       LYS  68  55.702  -5.630 -16.639
  524    HA   LYS  68           HA       LYS  68  54.962  -6.806 -14.302
  525   1HB   LYS  68           HB2      LYS  68  57.330  -7.457 -16.059
  526   2HB   LYS  68           HB1      LYS  68  56.915  -8.462 -14.670
  527   1HG   LYS  68           HG2      LYS  68  54.470  -8.168 -15.866
  528   2HG   LYS  68           HG1      LYS  68  55.542  -8.190 -17.267
  529   1HD   LYS  68           HD2      LYS  68  56.573 -10.281 -16.431
  530   2HD   LYS  68           HD1      LYS  68  55.463 -10.269 -15.060
  531   1HE   LYS  68           HE2      LYS  68  54.462 -11.721 -16.664
  532   2HE   LYS  68           HE1      LYS  68  53.569 -10.204 -16.786
  533   1HZ   LYS  68           HZ1      LYS  68  55.867 -10.211 -18.469
  534   2HZ   LYS  68           HZ3      LYS  68  54.845 -11.518 -18.824
  535   3HZ   LYS  68           HZ2      LYS  68  54.239  -9.931 -18.867
  536    H    ASP  69           HN       ASP  69  58.232  -5.476 -14.809
  537    HA   ASP  69           HA       ASP  69  59.186  -5.933 -12.185
  538   1HB   ASP  69           HB2      ASP  69  60.032  -4.431 -14.551
  539   2HB   ASP  69           HB1      ASP  69  60.430  -3.596 -13.050
  540    H    MET  70           HN       MET  70  57.913  -2.929 -13.681
  541    HA   MET  70           HA       MET  70  57.633  -1.604 -11.113
  542   1HB   MET  70           HB2      MET  70  57.911  -0.111 -12.904
  543   2HB   MET  70           HB1      MET  70  56.779  -0.985 -13.931
  544   1HG   MET  70           HG2      MET  70  55.953   1.240 -12.951
  545   2HG   MET  70           HG1      MET  70  54.891  -0.152 -12.748
  546   1HE   MET  70           HE1      MET  70  53.753  -0.485 -11.079
  547   2HE   MET  70           HE3      MET  70  54.017  -0.182  -9.356
  548   3HE   MET  70           HE2      MET  70  53.605   1.148 -10.436
  549    H    GLN  71           HN       GLN  71  55.007  -2.249 -13.470
  550    HA   GLN  71           HA       GLN  71  52.800  -2.050 -11.888
  551   1HB   GLN  71           HB2      GLN  71  52.731  -2.800 -14.251
  552   2HB   GLN  71           HB1      GLN  71  53.295  -4.394 -13.749
  553   1HG   GLN  71           HG2      GLN  71  51.286  -4.952 -12.766
  554   2HG   GLN  71           HG1      GLN  71  50.902  -3.281 -12.356
  555   1HE2  GLN  71           HE22     GLN  71  49.958  -2.657 -15.917
  556   2HE2  GLN  71           HE21     GLN  71  51.110  -2.013 -14.851
  557    H    LEU  72           HN       LEU  72  55.102  -4.763 -11.777
  558    HA   LEU  72           HA       LEU  72  53.593  -5.822  -9.416
  559   1HB   LEU  72           HB2      LEU  72  54.846  -7.093 -11.684
  560   2HB   LEU  72           HB1      LEU  72  55.585  -7.670 -10.190
  561    HG   LEU  72           HG       LEU  72  53.338  -8.170  -9.305
  562   1HD1  LEU  72           HD13     LEU  72  52.319  -6.316 -10.753
  563   2HD1  LEU  72           HD12     LEU  72  52.318  -7.499 -12.061
  564   3HD1  LEU  72           HD11     LEU  72  51.381  -7.801 -10.598
  565   1HD2  LEU  72           HD23     LEU  72  54.580  -9.428 -11.612
  566   2HD2  LEU  72           HD22     LEU  72  53.773 -10.185 -10.238
  567   3HD2  LEU  72           HD21     LEU  72  52.832  -9.662 -11.636
  568    H    GLY  73           HN       GLY  73  56.970  -6.184 -10.389
  569   1HA   GLY  73           HA2      GLY  73  58.249  -6.278  -8.001
  570   2HA   GLY  73           HA1      GLY  73  58.941  -5.404  -9.368
  571    H    ARG  74           HN       ARG  74  57.037  -3.336  -9.549
  572    HA   ARG  74           HA       ARG  74  57.195  -1.077  -8.758
  573   1HB   ARG  74           HB2      ARG  74  55.513  -0.804  -6.978
  574   2HB   ARG  74           HB1      ARG  74  54.959  -1.937  -8.210
  575   1HG   ARG  74           HG2      ARG  74  54.558  -3.371  -6.512
  576   2HG   ARG  74           HG1      ARG  74  56.305  -3.562  -6.398
  577   1HD   ARG  74           HD2      ARG  74  55.827  -2.911  -4.226
  578   2HD   ARG  74           HD1      ARG  74  56.120  -1.337  -4.965
  579    HE   ARG  74           HE       ARG  74  53.889  -0.849  -4.426
  580   1HH1  ARG  74           HH21     ARG  74  54.367  -4.234  -4.410
  581   2HH1  ARG  74           HH22     ARG  74  52.679  -4.620  -4.464
  582   1HH2  ARG  74           HH12     ARG  74  51.663  -1.321  -4.789
  583   2HH2  ARG  74           HH11     ARG  74  51.148  -2.971  -4.678
   
  No H/Q in entry =         583
  Start of MODEL   13
    1    H    MET   1           HN       MET   1  55.752 -10.569 -10.794
    2    HA   MET   1           HA       MET   1  55.407 -11.030  -8.002
    3   1HB   MET   1           HB2      MET   1  57.496  -9.179  -9.111
    4   2HB   MET   1           HB1      MET   1  57.602 -10.274  -7.733
    5   1HG   MET   1           HG2      MET   1  58.434 -11.870  -9.076
    6   2HG   MET   1           HG1      MET   1  56.931 -11.850  -9.996
    7   1HE   MET   1           HE2      MET   1  60.291 -11.420  -9.581
    8   2HE   MET   1           HE1      MET   1  60.555 -11.900 -11.255
    9   3HE   MET   1           HE3      MET   1  60.986 -10.270 -10.721
   10    H    LEU   2           HN       LEU   2  53.350  -9.749  -7.757
   11    HA   LEU   2           HA       LEU   2  53.435  -6.871  -7.851
   12   1HB   LEU   2           HB2      LEU   2  51.370  -8.423  -7.818
   13   2HB   LEU   2           HB1      LEU   2  51.608  -8.473  -6.071
   14    HG   LEU   2           HG       LEU   2  51.727  -5.857  -6.293
   15   1HD1  LEU   2           HD11     LEU   2  50.873  -6.756  -8.954
   16   2HD1  LEU   2           HD13     LEU   2  49.786  -5.566  -8.239
   17   3HD1  LEU   2           HD12     LEU   2  51.496  -5.186  -8.446
   18   1HD2  LEU   2           HD21     LEU   2  49.515  -7.762  -6.020
   19   2HD2  LEU   2           HD23     LEU   2  49.883  -6.329  -5.061
   20   3HD2  LEU   2           HD22     LEU   2  48.983  -6.173  -6.570
   21    H    GLN   3           HN       GLN   3  55.272  -8.808  -5.962
   22    HA   GLN   3           HA       GLN   3  55.980  -6.777  -4.103
   23   1HB   GLN   3           HB2      GLN   3  54.892  -7.449  -2.075
   24   2HB   GLN   3           HB1      GLN   3  53.621  -7.341  -3.292
   25   1HG   GLN   3           HG2      GLN   3  54.311  -9.907  -3.662
   26   2HG   GLN   3           HG1      GLN   3  54.763  -9.746  -1.964
   27   1HE2  GLN   3           HE22     GLN   3  51.194  -8.554  -1.374
   28   2HE2  GLN   3           HE21     GLN   3  52.674  -7.725  -1.367
   29    H    LYS   4           HN       LYS   4  57.514  -8.423  -5.588
   30    HA   LYS   4           HA       LYS   4  58.398 -10.588  -3.739
   31   1HB   LYS   4           HB2      LYS   4  57.752 -11.157  -6.103
   32   2HB   LYS   4           HB1      LYS   4  59.126 -10.198  -6.645
   33   1HG   LYS   4           HG2      LYS   4  59.557 -12.683  -6.459
   34   2HG   LYS   4           HG1      LYS   4  60.674 -11.651  -5.577
   35   1HD   LYS   4           HD2      LYS   4  58.262 -12.506  -4.081
   36   2HD   LYS   4           HD1      LYS   4  59.421 -13.781  -4.457
   37   1HE   LYS   4           HE2      LYS   4  61.233 -12.319  -3.504
   38   2HE   LYS   4           HE1      LYS   4  59.976 -11.197  -2.985
   39   1HZ   LYS   4           HZ2      LYS   4  59.856 -14.052  -2.257
   40   2HZ   LYS   4           HZ1      LYS   4  60.775 -12.958  -1.337
   41   3HZ   LYS   4           HZ3      LYS   4  59.102 -12.728  -1.504
   42    H    LYS   5           HN       LYS   5  59.214  -7.470  -4.138
   43    HA   LYS   5           HA       LYS   5  62.067  -8.063  -3.582
   44   1HB   LYS   5           HB2      LYS   5  62.696  -6.911  -5.417
   45   2HB   LYS   5           HB1      LYS   5  61.010  -6.613  -5.823
   46   1HG   LYS   5           HG2      LYS   5  60.989  -4.537  -4.764
   47   2HG   LYS   5           HG1      LYS   5  62.341  -4.941  -3.725
   48   1HD   LYS   5           HD2      LYS   5  62.603  -4.636  -6.723
   49   2HD   LYS   5           HD1      LYS   5  62.923  -3.329  -5.583
   50   1HE   LYS   5           HE2      LYS   5  64.333  -5.525  -4.564
   51   2HE   LYS   5           HE1      LYS   5  64.611  -5.576  -6.305
   52   1HZ   LYS   5           HZ1      LYS   5  64.997  -3.048  -6.003
   53   2HZ   LYS   5           HZ3      LYS   5  65.278  -3.455  -4.381
   54   3HZ   LYS   5           HZ2      LYS   5  66.238  -4.139  -5.605
   55    H    ILE   6           HN       ILE   6  59.209  -6.115  -3.028
   56    HA   ILE   6           HA       ILE   6  60.577  -4.631  -0.850
   57    HB   ILE   6           HB       ILE   6  57.685  -4.295  -1.605
   58   1HG1  ILE   6           HG12     ILE   6  59.259  -4.343  -3.663
   59   2HG1  ILE   6           HG11     ILE   6  58.202  -2.942  -3.475
   60   1HG2  ILE   6           HG21     ILE   6  59.880  -2.615  -0.409
   61   2HG2  ILE   6           HG23     ILE   6  58.451  -1.859  -1.113
   62   3HG2  ILE   6           HG22     ILE   6  58.281  -2.970   0.245
   63   1HD1  ILE   6           HD13     ILE   6  60.116  -1.765  -2.318
   64   2HD1  ILE   6           HD12     ILE   6  61.142  -3.128  -2.763
   65   3HD1  ILE   6           HD11     ILE   6  60.410  -2.127  -4.016
   66    H    GLU   7           HN       GLU   7  58.283  -7.203  -1.456
   67    HA   GLU   7           HA       GLU   7  57.197  -7.233   1.254
   68   1HB   GLU   7           HB2      GLU   7  56.004  -8.207  -0.743
   69   2HB   GLU   7           HB1      GLU   7  57.239  -9.464  -0.803
   70   1HG   GLU   7           HG2      GLU   7  56.052 -10.635   0.697
   71   2HG   GLU   7           HG1      GLU   7  56.366  -9.363   1.879
   72    H    GLU   8           HN       GLU   8  59.956  -8.474  -0.420
   73    HA   GLU   8           HA       GLU   8  60.654 -10.536   1.480
   74   1HB   GLU   8           HB2      GLU   8  62.835 -10.514   0.338
   75   2HB   GLU   8           HB1      GLU   8  61.528 -10.475  -0.848
   76   1HG   GLU   8           HG2      GLU   8  61.756  -8.048  -1.083
   77   2HG   GLU   8           HG1      GLU   8  63.001  -8.037   0.182
   78    H    ILE   9           HN       ILE   9  61.573  -7.121   1.036
   79    HA   ILE   9           HA       ILE   9  63.389  -7.126   3.296
   80    HB   ILE   9           HB       ILE   9  63.705  -5.451   1.567
   81   1HG1  ILE   9           HG12     ILE   9  63.933  -3.514   2.933
   82   2HG1  ILE   9           HG11     ILE   9  62.549  -3.960   3.930
   83   1HG2  ILE   9           HG22     ILE   9  60.877  -4.628   2.267
   84   2HG2  ILE   9           HG21     ILE   9  61.960  -3.680   1.246
   85   3HG2  ILE   9           HG23     ILE   9  61.439  -5.284   0.729
   86   1HD1  ILE   9           HD11     ILE   9  64.745  -5.948   3.850
   87   2HD1  ILE   9           HD13     ILE   9  65.131  -4.427   4.654
   88   3HD1  ILE   9           HD12     ILE   9  63.771  -5.400   5.215
   89    H    ALA  10           HN       ALA  10  60.005  -6.419   2.756
   90    HA   ALA  10           HA       ALA  10  59.418  -5.233   5.289
   91   1HB   ALA  10           HB3      ALA  10  57.967  -6.250   3.010
   92   2HB   ALA  10           HB2      ALA  10  57.204  -6.796   4.504
   93   3HB   ALA  10           HB1      ALA  10  57.445  -5.072   4.215
   94    H    ALA  11           HN       ALA  11  59.519  -8.575   4.137
   95    HA   ALA  11           HA       ALA  11  58.697  -9.680   6.703
   96   1HB   ALA  11           HB2      ALA  11  59.264 -10.672   4.027
   97   2HB   ALA  11           HB1      ALA  11  59.992 -11.697   5.263
   98   3HB   ALA  11           HB3      ALA  11  58.258 -11.380   5.290
   99    H    LYS  12           HN       LYS  12  61.735  -8.782   5.166
  100    HA   LYS  12           HA       LYS  12  63.247 -10.310   7.205
  101   1HB   LYS  12           HB2      LYS  12  65.178  -9.870   5.984
  102   2HB   LYS  12           HB1      LYS  12  63.962  -9.847   4.712
  103   1HG   LYS  12           HG2      LYS  12  64.751  -7.803   4.185
  104   2HG   LYS  12           HG1      LYS  12  63.968  -7.228   5.658
  105   1HD   LYS  12           HD2      LYS  12  66.145  -6.526   6.044
  106   2HD   LYS  12           HD1      LYS  12  66.204  -8.129   6.777
  107   1HE   LYS  12           HE2      LYS  12  67.613  -8.932   5.186
  108   2HE   LYS  12           HE1      LYS  12  66.742  -8.124   3.882
  109   1HZ   LYS  12           HZ1      LYS  12  67.783  -6.026   4.606
  110   2HZ   LYS  12           HZ3      LYS  12  68.701  -6.890   5.741
  111   3HZ   LYS  12           HZ2      LYS  12  68.917  -7.178   4.080
  112    H    TYR  13           HN       TYR  13  61.532  -8.483   8.362
  113    HA   TYR  13           HA       TYR  13  63.377  -6.344   9.320
  114   1HB   TYR  13           HB2      TYR  13  60.396  -6.478   8.988
  115   2HB   TYR  13           HB1      TYR  13  61.098  -5.388  10.182
  116    HD1  TYR  13           HD1      TYR  13  63.564  -4.478   8.988
  117    HD2  TYR  13           HD2      TYR  13  59.763  -5.197   7.127
  118    HE1  TYR  13           HE1      TYR  13  64.141  -2.867   7.191
  119    HE2  TYR  13           HE2      TYR  13  60.340  -3.591   5.330
  120    HH   TYR  13           HH       TYR  13  61.780  -1.862   4.801
  121    H    LYS  14           HN       LYS  14  63.697  -6.146  11.529
  122    HA   LYS  14           HA       LYS  14  63.061  -8.519  13.138
  123   1HB   LYS  14           HB2      LYS  14  65.142  -6.633  13.103
  124   2HB   LYS  14           HB1      LYS  14  64.286  -6.348  14.618
  125   1HG   LYS  14           HG2      LYS  14  64.406  -8.812  15.080
  126   2HG   LYS  14           HG1      LYS  14  65.416  -8.986  13.643
  127   1HD   LYS  14           HD2      LYS  14  66.741  -6.981  14.872
  128   2HD   LYS  14           HD1      LYS  14  66.073  -7.795  16.286
  129   1HE   LYS  14           HE2      LYS  14  67.708  -9.331  16.118
  130   2HE   LYS  14           HE1      LYS  14  67.017  -9.839  14.577
  131   1HZ   LYS  14           HZ3      LYS  14  68.862  -7.535  14.828
  132   2HZ   LYS  14           HZ2      LYS  14  69.404  -9.116  14.520
  133   3HZ   LYS  14           HZ1      LYS  14  68.381  -8.334  13.412
  134    H    HIS  15           HN       HIS  15  60.710  -7.187  12.480
  135    HA   HIS  15           HA       HIS  15  59.524  -6.776  15.049
  136   1HB   HIS  15           HB2      HIS  15  60.838  -4.473  13.984
  137   2HB   HIS  15           HB1      HIS  15  59.100  -4.198  13.877
  138    HD1  HIS  15           HD1      HIS  15  61.194  -2.891  15.991
  139    HD2  HIS  15           HD2      HIS  15  58.417  -5.907  16.748
  140    HE1  HIS  15           HE1      HIS  15  60.745  -2.844  18.484
  141    H    SER  16           HN       SER  16  57.724  -7.895  14.433
  142    HA   SER  16           HA       SER  16  56.523  -8.214  11.995
  143   1HB   SER  16           HB2      SER  16  55.771  -8.854  14.491
  144   2HB   SER  16           HB1      SER  16  54.623  -7.552  14.188
  145    HG   SER  16           HG       SER  16  53.563  -8.966  13.065
  146    H    VAL  17           HN       VAL  17  55.993  -5.323  14.070
  147    HA   VAL  17           HA       VAL  17  54.041  -4.088  12.435
  148    HB   VAL  17           HB       VAL  17  56.158  -2.774  14.162
  149   1HG1  VAL  17           HG12     VAL  17  53.788  -1.790  12.650
  150   2HG1  VAL  17           HG11     VAL  17  54.025  -1.136  14.271
  151   3HG1  VAL  17           HG13     VAL  17  55.289  -0.957  13.054
  152   1HG2  VAL  17           HG21     VAL  17  54.232  -4.554  14.962
  153   2HG2  VAL  17           HG23     VAL  17  54.874  -3.266  15.980
  154   3HG2  VAL  17           HG22     VAL  17  53.366  -3.023  15.098
  155    H    VAL  18           HN       VAL  18  57.609  -3.811  12.327
  156    HA   VAL  18           HA       VAL  18  57.872  -1.807  10.390
  157    HB   VAL  18           HB       VAL  18  59.486  -4.349  10.216
  158   1HG1  VAL  18           HG11     VAL  18  59.713  -2.208   8.716
  159   2HG1  VAL  18           HG13     VAL  18  60.529  -1.547  10.133
  160   3HG1  VAL  18           HG12     VAL  18  61.160  -2.993   9.350
  161   1HG2  VAL  18           HG23     VAL  18  59.097  -2.864  12.592
  162   2HG2  VAL  18           HG22     VAL  18  60.318  -4.096  12.271
  163   3HG2  VAL  18           HG21     VAL  18  60.679  -2.403  11.966
  164    H    LYS  19           HN       LYS  19  56.618  -5.034  10.072
  165    HA   LYS  19           HA       LYS  19  56.930  -5.434   7.288
  166   1HB   LYS  19           HB2      LYS  19  56.105  -7.223   8.707
  167   2HB   LYS  19           HB1      LYS  19  54.679  -6.278   9.137
  168   1HG   LYS  19           HG2      LYS  19  54.778  -6.345   6.304
  169   2HG   LYS  19           HG1      LYS  19  55.072  -7.993   6.859
  170   1HD   LYS  19           HD2      LYS  19  52.724  -6.218   7.575
  171   2HD   LYS  19           HD1      LYS  19  52.683  -7.715   6.644
  172   1HE   LYS  19           HE2      LYS  19  53.988  -8.239   9.140
  173   2HE   LYS  19           HE1      LYS  19  52.467  -7.410   9.467
  174   1HZ   LYS  19           HZ2      LYS  19  52.736  -9.765   7.681
  175   2HZ   LYS  19           HZ1      LYS  19  52.250  -9.850   9.307
  176   3HZ   LYS  19           HZ3      LYS  19  51.292  -9.022   8.180
  177    H    LYS  20           HN       LYS  20  54.099  -4.034   9.000
  178    HA   LYS  20           HA       LYS  20  52.693  -3.263   6.650
  179   1HB   LYS  20           HB2      LYS  20  51.515  -3.255   8.734
  180   2HB   LYS  20           HB1      LYS  20  52.674  -2.142   9.456
  181   1HG   LYS  20           HG2      LYS  20  51.335  -0.447   8.810
  182   2HG   LYS  20           HG1      LYS  20  51.745  -0.831   7.136
  183   1HD   LYS  20           HD2      LYS  20  49.269  -0.815   7.605
  184   2HD   LYS  20           HD1      LYS  20  49.864  -2.344   6.958
  185   1HE   LYS  20           HE2      LYS  20  49.084  -3.416   8.773
  186   2HE   LYS  20           HE1      LYS  20  50.130  -2.437   9.799
  187   1HZ   LYS  20           HZ3      LYS  20  47.988  -0.843   8.998
  188   2HZ   LYS  20           HZ2      LYS  20  47.341  -2.319   9.535
  189   3HZ   LYS  20           HZ1      LYS  20  48.344  -1.406  10.558
  190    H    CYS  21           HN       CYS  21  54.948  -1.422   8.702
  191    HA   CYS  21           HA       CYS  21  54.865   1.068   7.461
  192   1HB   CYS  21           HB2      CYS  21  57.205  -0.480   8.594
  193   2HB   CYS  21           HB1      CYS  21  57.349   1.191   8.053
  194    H    CYS  22           HN       CYS  22  56.871  -1.720   6.488
  195    HA   CYS  22           HA       CYS  22  57.886  -0.418   4.119
  196   1HB   CYS  22           HB2      CYS  22  59.217  -2.211   4.851
  197   2HB   CYS  22           HB1      CYS  22  57.829  -3.257   5.134
  198    H    TYR  23           HN       TYR  23  55.025  -2.280   4.908
  199    HA   TYR  23           HA       TYR  23  54.193  -3.032   2.326
  200   1HB   TYR  23           HB2      TYR  23  52.970  -2.733   4.914
  201   2HB   TYR  23           HB1      TYR  23  51.879  -2.152   3.671
  202    HD1  TYR  23           HD2      TYR  23  51.649  -3.638   1.531
  203    HD2  TYR  23           HD1      TYR  23  53.111  -4.985   5.327
  204    HE1  TYR  23           HE2      TYR  23  51.131  -5.979   0.892
  205    HE2  TYR  23           HE1      TYR  23  52.602  -7.291   4.694
  206    HH   TYR  23           HH       TYR  23  50.605  -8.170   2.247
  207    H    ASP  24           HN       ASP  24  53.388  -0.055   4.127
  208    HA   ASP  24           HA       ASP  24  52.146   1.262   1.903
  209   1HB   ASP  24           HB2      ASP  24  53.570   2.791   4.059
  210   2HB   ASP  24           HB1      ASP  24  52.029   3.144   3.283
  211    H    GLY  25           HN       GLY  25  55.459   1.477   3.251
  212   1HA   GLY  25           HA2      GLY  25  56.622   3.380   1.645
  213   2HA   GLY  25           HA1      GLY  25  57.467   1.885   2.065
  214    H    ALA  26           HN       ALA  26  56.282  -0.058   0.672
  215    HA   ALA  26           HA       ALA  26  57.071   0.386  -2.048
  216   1HB   ALA  26           HB1      ALA  26  56.466  -1.834  -0.497
  217   2HB   ALA  26           HB3      ALA  26  55.143  -1.788  -1.660
  218   3HB   ALA  26           HB2      ALA  26  56.812  -1.859  -2.226
  219    H    CYS  27           HN       CYS  27  53.940   0.472  -0.382
  220    HA   CYS  27           HA       CYS  27  52.498   0.960  -2.904
  221   1HB   CYS  27           HB2      CYS  27  51.645   0.873  -0.001
  222   2HB   CYS  27           HB1      CYS  27  50.538   1.292  -1.308
  223    HG   CYS  27           HG       CYS  27  51.953  -1.491  -1.075
  224    H    VAL  28           HN       VAL  28  54.567   2.829  -1.432
  225    HA   VAL  28           HA       VAL  28  53.861   5.174  -0.433
  226    HB   VAL  28           HB       VAL  28  56.040   5.139  -1.293
  227   1HG1  VAL  28           HG12     VAL  28  54.829   4.532  -4.004
  228   2HG1  VAL  28           HG11     VAL  28  56.551   4.748  -3.692
  229   3HG1  VAL  28           HG13     VAL  28  55.686   3.394  -2.965
  230   1HG2  VAL  28           HG21     VAL  28  54.622   7.327  -1.803
  231   2HG2  VAL  28           HG23     VAL  28  56.271   7.169  -2.408
  232   3HG2  VAL  28           HG22     VAL  28  54.904   6.856  -3.478
  233    H    ASN  29           HN       ASN  29  52.454   6.843  -0.766
  234    HA   ASN  29           HA       ASN  29  50.150   6.721  -2.233
  235   1HB   ASN  29           HB2      ASN  29  50.781   8.561  -0.641
  236   2HB   ASN  29           HB1      ASN  29  51.738   9.285  -1.935
  237   1HD2  ASN  29           HD22     ASN  29  48.862  11.005  -3.020
  238   2HD2  ASN  29           HD21     ASN  29  50.498  11.084  -2.572
  239    H    ASN  30           HN       ASN  30  52.711   8.877  -3.487
  240    HA   ASN  30           HA       ASN  30  52.643   7.590  -6.110
  241   1HB   ASN  30           HB2      ASN  30  50.651   8.791  -6.494
  242   2HB   ASN  30           HB1      ASN  30  51.213  10.193  -5.584
  243   1HD2  ASN  30           HD22     ASN  30  52.517  11.745  -8.452
  244   2HD2  ASN  30           HD21     ASN  30  51.928  11.894  -6.867
  245    H    ASP  31           HN       ASP  31  53.111  11.041  -5.657
  246    HA   ASP  31           HA       ASP  31  55.633  11.180  -6.838
  247   1HB   ASP  31           HB2      ASP  31  54.024  12.899  -5.097
  248   2HB   ASP  31           HB1      ASP  31  55.757  13.145  -4.883
  249    H    GLU  32           HN       GLU  32  57.756  11.103  -6.067
  250    HA   GLU  32           HA       GLU  32  58.735   9.167  -4.498
  251   1HB   GLU  32           HB2      GLU  32  59.660  11.985  -4.845
  252   2HB   GLU  32           HB1      GLU  32  60.485  10.981  -3.652
  253   1HG   GLU  32           HG2      GLU  32  60.279   9.273  -5.804
  254   2HG   GLU  32           HG1      GLU  32  60.547  10.830  -6.588
  255    H    THR  33           HN       THR  33  58.187  12.363  -2.923
  256    HA   THR  33           HA       THR  33  58.534  11.596  -0.275
  257    HB   THR  33           HB       THR  33  56.912  13.410   0.301
  258    HG1  THR  33           HG1      THR  33  56.214  14.523  -1.768
  259   1HG2  THR  33           HG23     THR  33  59.327  13.590  -1.178
  260   2HG2  THR  33           HG22     THR  33  58.238  14.817  -1.825
  261   3HG2  THR  33           HG21     THR  33  58.628  14.803  -0.106
  262    H    CYS  34           HN       CYS  34  57.767   9.434  -0.033
  263    HA   CYS  34           HA       CYS  34  55.010   8.707  -0.477
  264   1HB   CYS  34           HB2      CYS  34  55.841   6.953   1.490
  265   2HB   CYS  34           HB1      CYS  34  55.976   6.677  -0.239
  266    H    GLU  35           HN       GLU  35  56.282   8.235   2.767
  267    HA   GLU  35           HA       GLU  35  53.859   9.086   4.005
  268   1HB   GLU  35           HB2      GLU  35  56.659   8.970   5.150
  269   2HB   GLU  35           HB1      GLU  35  55.196   9.145   6.111
  270   1HG   GLU  35           HG2      GLU  35  55.182   6.924   4.158
  271   2HG   GLU  35           HG1      GLU  35  56.282   6.739   5.525
  272    H    GLN  36           HN       GLN  36  56.773  10.801   3.053
  273    HA   GLN  36           HA       GLN  36  56.361  13.256   4.405
  274   1HB   GLN  36           HB2      GLN  36  57.651  12.446   1.826
  275   2HB   GLN  36           HB1      GLN  36  57.301  14.161   2.059
  276   1HG   GLN  36           HG2      GLN  36  59.473  13.894   2.940
  277   2HG   GLN  36           HG1      GLN  36  58.434  13.879   4.364
  278   1HE2  GLN  36           HE21     GLN  36  60.114  12.568   5.491
  279   2HE2  GLN  36           HE22     GLN  36  60.257  10.910   5.158
  280    H    ARG  37           HN       ARG  37  55.058  11.977   1.357
  281    HA   ARG  37           HA       ARG  37  53.367  14.266   0.828
  282   1HB   ARG  37           HB2      ARG  37  53.895  12.703  -0.976
  283   2HB   ARG  37           HB1      ARG  37  53.160  11.374  -0.079
  284   1HG   ARG  37           HG2      ARG  37  51.141  11.894  -0.919
  285   2HG   ARG  37           HG1      ARG  37  51.266  13.523  -0.253
  286   1HD   ARG  37           HD2      ARG  37  52.967  13.221  -2.588
  287   2HD   ARG  37           HD1      ARG  37  51.292  12.822  -2.970
  288    HE   ARG  37           HE       ARG  37  50.676  15.084  -2.101
  289   1HH1  ARG  37           HH21     ARG  37  52.486  16.470  -0.702
  290   2HH1  ARG  37           HH22     ARG  37  53.603  17.198  -1.809
  291   1HH2  ARG  37           HH12     ARG  37  52.758  15.112  -4.447
  292   2HH2  ARG  37           HH11     ARG  37  53.757  16.428  -3.928
  293    H    ALA  38           HN       ALA  38  53.087  11.311   2.726
  294    HA   ALA  38           HA       ALA  38  50.329  11.212   3.227
  295   1HB   ALA  38           HB1      ALA  38  52.116   9.633   4.142
  296   2HB   ALA  38           HB3      ALA  38  52.442  10.849   5.374
  297   3HB   ALA  38           HB2      ALA  38  50.859  10.083   5.291
  298    H    ALA  39           HN       ALA  39  52.612  12.703   5.502
  299    HA   ALA  39           HA       ALA  39  51.481  15.301   5.527
  300   1HB   ALA  39           HB1      ALA  39  50.225  13.367   7.495
  301   2HB   ALA  39           HB3      ALA  39  50.169  15.118   7.698
  302   3HB   ALA  39           HB2      ALA  39  49.397  14.367   6.301
  303    H    ARG  40           HN       ARG  40  52.706  12.685   7.517
  304    HA   ARG  40           HA       ARG  40  55.155  13.952   8.204
  305   1HB   ARG  40           HB2      ARG  40  52.864  14.736   9.840
  306   2HB   ARG  40           HB1      ARG  40  54.137  13.974  10.796
  307   1HG   ARG  40           HG2      ARG  40  55.796  15.529   9.822
  308   2HG   ARG  40           HG1      ARG  40  54.515  16.302   8.888
  309   1HD   ARG  40           HD2      ARG  40  53.422  16.422  11.366
  310   2HD   ARG  40           HD1      ARG  40  55.133  16.510  11.783
  311    HE   ARG  40           HE       ARG  40  54.370  18.329   9.626
  312   1HH1  ARG  40           HH21     ARG  40  56.130  18.205  12.374
  313   2HH1  ARG  40           HH22     ARG  40  55.584  19.701  13.054
  314   1HH2  ARG  40           HH12     ARG  40  53.003  20.101  10.773
  315   2HH2  ARG  40           HH11     ARG  40  53.814  20.776  12.147
  316    H    ILE  41           HN       ILE  41  56.248  12.019   8.246
  317    HA   ILE  41           HA       ILE  41  55.128   9.524   8.849
  318    HB   ILE  41           HB       ILE  41  57.422   9.845   7.871
  319   1HG1  ILE  41           HG12     ILE  41  58.370   7.892   9.095
  320   2HG1  ILE  41           HG11     ILE  41  57.118   8.090  10.319
  321   1HG2  ILE  41           HG21     ILE  41  57.972  11.530   9.816
  322   2HG2  ILE  41           HG23     ILE  41  58.428  10.068  10.690
  323   3HG2  ILE  41           HG22     ILE  41  59.241  10.484   9.182
  324   1HD1  ILE  41           HD12     ILE  41  56.328   7.904   7.427
  325   2HD1  ILE  41           HD11     ILE  41  56.707   6.430   8.317
  326   3HD1  ILE  41           HD13     ILE  41  55.399   7.478   8.864
  327    H    SER  42           HN       SER  42  53.788   9.509  10.570
  328    HA   SER  42           HA       SER  42  55.189   9.612  13.148
  329   1HB   SER  42           HB2      SER  42  53.672  11.025  14.172
  330   2HB   SER  42           HB1      SER  42  53.732  11.722  12.550
  331    HG   SER  42           HG       SER  42  51.709  10.367  13.849
  332    H    LEU  43           HN       LEU  43  54.804   7.325  11.881
  333    HA   LEU  43           HA       LEU  43  52.469   6.197  13.298
  334   1HB   LEU  43           HB2      LEU  43  53.929   5.131  10.861
  335   2HB   LEU  43           HB1      LEU  43  52.600   4.302  11.673
  336    HG   LEU  43           HG       LEU  43  52.032   7.111  10.984
  337   1HD1  LEU  43           HD13     LEU  43  53.450   6.271   9.044
  338   2HD1  LEU  43           HD12     LEU  43  52.193   5.067   8.755
  339   3HD1  LEU  43           HD11     LEU  43  51.818   6.785   8.615
  340   1HD2  LEU  43           HD22     LEU  43  50.625   4.457  10.539
  341   2HD2  LEU  43           HD21     LEU  43  50.325   5.591  11.857
  342   3HD2  LEU  43           HD23     LEU  43  49.918   6.038  10.201
  343    H    GLY  44           HN       GLY  44  55.812   6.463  13.270
  344   1HA   GLY  44           HA2      GLY  44  56.459   5.187  15.568
  345   2HA   GLY  44           HA1      GLY  44  56.322   3.811  14.474
  346    HA   PRO  45           HA       PRO  45  60.617   5.821  14.069
  347   1HB   PRO  45           HB2      PRO  45  62.005   3.993  15.519
  348   2HB   PRO  45           HB1      PRO  45  61.273   5.432  16.239
  349   1HG   PRO  45           HG2      PRO  45  60.401   2.607  16.398
  350   2HG   PRO  45           HG1      PRO  45  60.215   3.917  17.573
  351   1HD   PRO  45           HD2      PRO  45  58.226   2.964  15.874
  352   2HD   PRO  45           HD1      PRO  45  58.181   4.493  16.754
  353    H    ARG  46           HN       ARG  46  60.109   2.283  14.431
  354    HA   ARG  46           HA       ARG  46  61.919   1.480  12.425
  355   1HB   ARG  46           HB2      ARG  46  60.895  -0.635  12.521
  356   2HB   ARG  46           HB1      ARG  46  60.532   0.053  14.100
  357   1HG   ARG  46           HG2      ARG  46  58.631   0.272  11.754
  358   2HG   ARG  46           HG1      ARG  46  58.572  -1.054  12.911
  359   1HD   ARG  46           HD2      ARG  46  58.448   1.856  13.731
  360   2HD   ARG  46           HD1      ARG  46  57.020   0.875  13.431
  361    HE   ARG  46           HE       ARG  46  58.773  -0.441  15.303
  362   1HH1  ARG  46           HH12     ARG  46  55.690   0.514  15.075
  363   2HH1  ARG  46           HH11     ARG  46  55.541   1.211  16.654
  364   1HH2  ARG  46           HH21     ARG  46  58.949   1.154  17.289
  365   2HH2  ARG  46           HH22     ARG  46  57.386   1.572  17.908
  366    H    CYS  47           HN       CYS  47  58.751   2.876  12.188
  367    HA   CYS  47           HA       CYS  47  58.120   2.180   9.468
  368   1HB   CYS  47           HB2      CYS  47  56.991   3.754  11.553
  369   2HB   CYS  47           HB1      CYS  47  57.160   4.812  10.149
  370    H    ILE  48           HN       ILE  48  59.527   5.179  10.821
  371    HA   ILE  48           HA       ILE  48  59.911   6.710   8.611
  372    HB   ILE  48           HB       ILE  48  62.371   6.236  10.268
  373   1HG1  ILE  48           HG12     ILE  48  60.657   6.106  11.961
  374   2HG1  ILE  48           HG11     ILE  48  61.312   7.738  12.018
  375   1HG2  ILE  48           HG21     ILE  48  61.129   8.363   8.667
  376   2HG2  ILE  48           HG23     ILE  48  61.756   8.920  10.219
  377   3HG2  ILE  48           HG22     ILE  48  62.825   8.106   9.076
  378   1HD1  ILE  48           HD12     ILE  48  59.435   8.502  10.567
  379   2HD1  ILE  48           HD11     ILE  48  58.755   6.877  10.641
  380   3HD1  ILE  48           HD13     ILE  48  58.880   7.847  12.107
  381    H    LYS  49           HN       LYS  49  62.500   4.391   9.515
  382    HA   LYS  49           HA       LYS  49  63.551   4.489   6.796
  383   1HB   LYS  49           HB2      LYS  49  64.645   3.976   9.272
  384   2HB   LYS  49           HB1      LYS  49  64.586   2.373   8.541
  385   1HG   LYS  49           HG2      LYS  49  65.458   4.156   6.515
  386   2HG   LYS  49           HG1      LYS  49  66.390   4.540   7.963
  387   1HD   LYS  49           HD2      LYS  49  66.023   1.721   6.917
  388   2HD   LYS  49           HD1      LYS  49  67.409   2.736   6.515
  389   1HE   LYS  49           HE2      LYS  49  68.170   2.786   8.753
  390   2HE   LYS  49           HE1      LYS  49  66.616   2.242   9.384
  391   1HZ   LYS  49           HZ1      LYS  49  67.695   0.386   7.516
  392   2HZ   LYS  49           HZ3      LYS  49  68.779   0.668   8.789
  393   3HZ   LYS  49           HZ2      LYS  49  67.201   0.135   9.122
  394    H    ALA  50           HN       ALA  50  61.268   2.454   8.439
  395    HA   ALA  50           HA       ALA  50  61.762   0.116   6.803
  396   1HB   ALA  50           HB2      ALA  50  59.323   0.959   8.403
  397   2HB   ALA  50           HB1      ALA  50  59.508  -0.612   7.623
  398   3HB   ALA  50           HB3      ALA  50  60.589  -0.146   8.935
  399    H    PHE  51           HN       PHE  51  59.017   2.351   6.918
  400    HA   PHE  51           HA       PHE  51  58.066   1.700   4.359
  401   1HB   PHE  51           HB2      PHE  51  56.460   3.285   4.749
  402   2HB   PHE  51           HB1      PHE  51  57.057   3.157   6.395
  403    HD1  PHE  51           HD2      PHE  51  57.519   5.094   3.211
  404    HD2  PHE  51           HD1      PHE  51  57.965   5.042   7.468
  405    HE1  PHE  51           HE2      PHE  51  58.185   7.485   3.189
  406    HE2  PHE  51           HE1      PHE  51  58.637   7.409   7.437
  407    HZ   PHE  51           HZ       PHE  51  58.737   8.637   5.311
  408    H    THR  52           HN       THR  52  60.134   4.390   5.463
  409    HA   THR  52           HA       THR  52  60.392   5.650   2.958
  410    HB   THR  52           HB       THR  52  62.437   5.397   5.180
  411    HG1  THR  52           HG1      THR  52  60.891   7.648   4.510
  412   1HG2  THR  52           HG22     THR  52  62.909   6.234   2.583
  413   2HG2  THR  52           HG21     THR  52  62.579   7.741   3.438
  414   3HG2  THR  52           HG23     THR  52  63.870   6.674   3.995
  415    H    GLU  53           HN       GLU  53  62.228   2.962   4.324
  416    HA   GLU  53           HA       GLU  53  64.131   2.679   2.226
  417   1HB   GLU  53           HB2      GLU  53  64.433   1.686   4.443
  418   2HB   GLU  53           HB1      GLU  53  63.048   0.636   4.145
  419   1HG   GLU  53           HG2      GLU  53  65.366  -0.386   3.728
  420   2HG   GLU  53           HG1      GLU  53  64.176  -0.562   2.438
  421    H    CYS  54           HN       CYS  54  60.996   1.092   2.771
  422    HA   CYS  54           HA       CYS  54  61.258  -0.594   0.416
  423   1HB   CYS  54           HB2      CYS  54  59.205  -0.069   2.504
  424   2HB   CYS  54           HB1      CYS  54  58.626  -0.693   0.960
  425    H    CYS  55           HN       CYS  55  60.022   2.548   1.128
  426    HA   CYS  55           HA       CYS  55  58.512   2.776  -1.373
  427   1HB   CYS  55           HB2      CYS  55  57.490   4.130   0.184
  428   2HB   CYS  55           HB1      CYS  55  58.973   4.394   1.078
  429    H    VAL  56           HN       VAL  56  61.713   3.458  -0.156
  430    HA   VAL  56           HA       VAL  56  62.419   5.188  -2.419
  431    HB   VAL  56           HB       VAL  56  64.181   3.814  -0.350
  432   1HG1  VAL  56           HG11     VAL  56  64.723   5.910  -2.459
  433   2HG1  VAL  56           HG13     VAL  56  65.798   5.642  -1.087
  434   3HG1  VAL  56           HG12     VAL  56  65.516   4.348  -2.252
  435   1HG2  VAL  56           HG21     VAL  56  62.362   5.830   0.097
  436   2HG2  VAL  56           HG23     VAL  56  63.815   5.558   1.058
  437   3HG2  VAL  56           HG22     VAL  56  63.832   6.738  -0.252
  438    H    VAL  57           HN       VAL  57  63.095   1.854  -1.367
  439    HA   VAL  57           HA       VAL  57  64.623   1.191  -3.706
  440    HB   VAL  57           HB       VAL  57  64.144  -1.144  -3.074
  441   1HG1  VAL  57           HG11     VAL  57  65.350   0.839  -1.413
  442   2HG1  VAL  57           HG13     VAL  57  64.513  -0.300  -0.359
  443   3HG1  VAL  57           HG12     VAL  57  65.732  -0.882  -1.492
  444   1HG2  VAL  57           HG22     VAL  57  62.209   0.140  -1.127
  445   2HG2  VAL  57           HG21     VAL  57  61.801  -0.924  -2.470
  446   3HG2  VAL  57           HG23     VAL  57  62.681  -1.560  -1.082
  447    H    ALA  58           HN       ALA  58  61.249   0.956  -2.718
  448    HA   ALA  58           HA       ALA  58  60.219  -0.121  -5.143
  449   1HB   ALA  58           HB3      ALA  58  59.033   1.683  -3.018
  450   2HB   ALA  58           HB2      ALA  58  58.092   1.098  -4.390
  451   3HB   ALA  58           HB1      ALA  58  58.760  -0.047  -3.226
  452    H    SER  59           HN       SER  59  61.259   2.994  -4.068
  453    HA   SER  59           HA       SER  59  60.103   4.649  -6.061
  454   1HB   SER  59           HB2      SER  59  61.467   5.215  -3.921
  455   2HB   SER  59           HB1      SER  59  62.844   5.165  -5.012
  456    HG   SER  59           HG       SER  59  61.191   7.150  -4.654
  457    H    GLN  60           HN       GLN  60  63.504   3.639  -5.919
  458    HA   GLN  60           HA       GLN  60  64.251   4.221  -8.542
  459   1HB   GLN  60           HB2      GLN  60  65.289   2.693  -6.339
  460   2HB   GLN  60           HB1      GLN  60  65.519   1.791  -7.838
  461   1HG   GLN  60           HG2      GLN  60  66.944   3.371  -8.725
  462   2HG   GLN  60           HG1      GLN  60  66.125   4.705  -7.909
  463   1HE2  GLN  60           HE22     GLN  60  68.117   4.478  -4.958
  464   2HE2  GLN  60           HE21     GLN  60  66.675   5.089  -5.611
  465    H    LEU  61           HN       LEU  61  62.391   1.544  -7.293
  466    HA   LEU  61           HA       LEU  61  62.604  -0.187  -9.556
  467   1HB   LEU  61           HB2      LEU  61  60.655   0.189  -7.303
  468   2HB   LEU  61           HB1      LEU  61  60.250  -0.906  -8.615
  469    HG   LEU  61           HG       LEU  61  62.620  -1.052  -6.781
  470   1HD1  LEU  61           HD11     LEU  61  59.999  -2.207  -6.790
  471   2HD1  LEU  61           HD13     LEU  61  61.179  -3.492  -7.041
  472   3HD1  LEU  61           HD12     LEU  61  61.294  -2.453  -5.620
  473   1HD2  LEU  61           HD21     LEU  61  62.024  -2.437  -9.388
  474   2HD2  LEU  61           HD23     LEU  61  63.538  -1.709  -8.853
  475   3HD2  LEU  61           HD22     LEU  61  62.999  -3.236  -8.156
  476    H    ARG  62           HN       ARG  62  60.200   2.257  -8.598
  477    HA   ARG  62           HA       ARG  62  58.962   2.111 -11.231
  478   1HB   ARG  62           HB2      ARG  62  57.506   3.995 -10.339
  479   2HB   ARG  62           HB1      ARG  62  57.414   2.483  -9.439
  480   1HG   ARG  62           HG2      ARG  62  58.971   3.348  -7.766
  481   2HG   ARG  62           HG1      ARG  62  59.171   4.838  -8.684
  482   1HD   ARG  62           HD2      ARG  62  57.556   5.489  -7.141
  483   2HD   ARG  62           HD1      ARG  62  56.535   4.942  -8.469
  484    HE   ARG  62           HE       ARG  62  56.801   3.644  -5.869
  485   1HH1  ARG  62           HH12     ARG  62  57.441   1.388  -7.589
  486   2HH1  ARG  62           HH11     ARG  62  55.892   0.798  -8.090
  487   1HH2  ARG  62           HH21     ARG  62  54.209   3.703  -7.220
  488   2HH2  ARG  62           HH22     ARG  62  54.062   2.109  -7.882
  489    H    ALA  63           HN       ALA  63  61.721   3.501 -10.135
  490    HA   ALA  63           HA       ALA  63  61.416   6.004 -11.691
  491   1HB   ALA  63           HB1      ALA  63  62.595   5.934  -9.443
  492   2HB   ALA  63           HB3      ALA  63  63.868   4.997 -10.225
  493   3HB   ALA  63           HB2      ALA  63  63.538   6.646 -10.752
  494    H    ASN  64           HN       ASN  64  61.531   3.156 -12.828
  495    HA   ASN  64           HA       ASN  64  63.287   3.818 -15.060
  496   1HB   ASN  64           HB2      ASN  64  64.693   2.738 -13.097
  497   2HB   ASN  64           HB1      ASN  64  64.005   1.239 -13.721
  498   1HD2  ASN  64           HD21     ASN  64  66.361   0.784 -14.348
  499   2HD2  ASN  64           HD22     ASN  64  66.926   1.414 -15.820
  500    H    ILE  65           HN       ILE  65  61.652   1.025 -13.481
  501    HA   ILE  65           HA       ILE  65  60.826   0.098 -16.175
  502    HB   ILE  65           HB       ILE  65  59.704  -1.529 -14.090
  503   1HG1  ILE  65           HG12     ILE  65  62.679  -0.968 -13.837
  504   2HG1  ILE  65           HG11     ILE  65  61.451  -0.639 -12.614
  505   1HG2  ILE  65           HG21     ILE  65  61.430  -1.735 -16.460
  506   2HG2  ILE  65           HG23     ILE  65  61.761  -2.954 -15.230
  507   3HG2  ILE  65           HG22     ILE  65  60.140  -2.803 -15.910
  508   1HD1  ILE  65           HD11     ILE  65  61.919  -3.411 -13.726
  509   2HD1  ILE  65           HD13     ILE  65  62.780  -2.804 -12.312
  510   3HD1  ILE  65           HD12     ILE  65  61.024  -2.961 -12.274
  511    H    SER  66           HN       SER  66  58.383  -1.046 -15.747
  512    HA   SER  66           HA       SER  66  56.484   0.474 -14.286
  513   1HB   SER  66           HB2      SER  66  57.495   1.860 -16.557
  514   2HB   SER  66           HB1      SER  66  55.846   1.370 -16.934
  515    HG   SER  66           HG       SER  66  56.527   2.526 -14.447
  516    H    HIS  67           HN       HIS  67  57.016  -2.265 -15.192
  517    HA   HIS  67           HA       HIS  67  54.334  -2.815 -16.359
  518   1HB   HIS  67           HB2      HIS  67  56.774  -4.294 -17.340
  519   2HB   HIS  67           HB1      HIS  67  55.162  -4.235 -18.050
  520    HD1  HIS  67           HD1      HIS  67  58.430  -2.766 -18.394
  521    HD2  HIS  67           HD2      HIS  67  54.531  -1.395 -18.943
  522    HE1  HIS  67           HE1      HIS  67  58.597  -0.687 -19.830
  523    H    LYS  68           HN       LYS  68  55.049  -5.686 -16.623
  524    HA   LYS  68           HA       LYS  68  54.154  -6.818 -14.310
  525   1HB   LYS  68           HB2      LYS  68  54.766  -8.234 -16.173
  526   2HB   LYS  68           HB1      LYS  68  56.469  -7.802 -16.003
  527   1HG   LYS  68           HG2      LYS  68  56.780  -9.406 -14.456
  528   2HG   LYS  68           HG1      LYS  68  55.441  -8.788 -13.488
  529   1HD   LYS  68           HD2      LYS  68  55.077 -11.143 -14.229
  530   2HD   LYS  68           HD1      LYS  68  53.838 -10.043 -14.834
  531   1HE   LYS  68           HE2      LYS  68  55.950 -10.014 -16.729
  532   2HE   LYS  68           HE1      LYS  68  55.641 -11.706 -16.336
  533   1HZ   LYS  68           HZ3      LYS  68  53.259 -10.119 -16.675
  534   2HZ   LYS  68           HZ2      LYS  68  54.206 -10.239 -18.081
  535   3HZ   LYS  68           HZ1      LYS  68  53.646 -11.645 -17.308
  536    H    ASP  69           HN       ASP  69  57.559  -5.922 -14.836
  537    HA   ASP  69           HA       ASP  69  58.505  -6.622 -12.268
  538   1HB   ASP  69           HB2      ASP  69  59.451  -4.994 -14.553
  539   2HB   ASP  69           HB1      ASP  69  60.081  -4.501 -12.981
  540    H    MET  70           HN       MET  70  57.429  -3.474 -13.616
  541    HA   MET  70           HA       MET  70  57.396  -2.324 -10.932
  542   1HB   MET  70           HB2      MET  70  57.807  -1.141 -13.260
  543   2HB   MET  70           HB1      MET  70  56.049  -1.008 -13.258
  544   1HG   MET  70           HG2      MET  70  57.231   0.980 -12.252
  545   2HG   MET  70           HG1      MET  70  56.068   0.212 -11.176
  546   1HE   MET  70           HE2      MET  70  59.525  -0.686 -12.463
  547   2HE   MET  70           HE1      MET  70  60.445  -1.133 -11.031
  548   3HE   MET  70           HE3      MET  70  59.103  -2.144 -11.574
  549    H    GLN  71           HN       GLN  71  54.735  -2.401 -13.340
  550    HA   GLN  71           HA       GLN  71  52.543  -2.023 -11.786
  551   1HB   GLN  71           HB2      GLN  71  52.443  -2.697 -14.183
  552   2HB   GLN  71           HB1      GLN  71  52.780  -4.362 -13.707
  553   1HG   GLN  71           HG2      GLN  71  50.730  -4.071 -12.120
  554   2HG   GLN  71           HG1      GLN  71  50.323  -2.709 -13.166
  555   1HE2  GLN  71           HE22     GLN  71  50.320  -6.477 -14.836
  556   2HE2  GLN  71           HE21     GLN  71  51.369  -6.153 -13.542
  557    H    LEU  72           HN       LEU  72  54.549  -4.954 -11.734
  558    HA   LEU  72           HA       LEU  72  52.913  -5.927  -9.419
  559   1HB   LEU  72           HB2      LEU  72  54.079  -7.272 -11.696
  560   2HB   LEU  72           HB1      LEU  72  54.752  -7.925 -10.202
  561    HG   LEU  72           HG       LEU  72  52.393  -8.123  -9.341
  562   1HD1  LEU  72           HD13     LEU  72  51.486  -6.409 -10.908
  563   2HD1  LEU  72           HD12     LEU  72  51.732  -7.540 -12.238
  564   3HD1  LEU  72           HD11     LEU  72  50.580  -7.920 -10.956
  565   1HD2  LEU  72           HD21     LEU  72  53.615  -9.648 -11.561
  566   2HD2  LEU  72           HD23     LEU  72  52.967 -10.226 -10.026
  567   3HD2  LEU  72           HD22     LEU  72  51.878  -9.893 -11.374
  568    H    GLY  73           HN       GLY  73  56.271  -6.515 -10.391
  569   1HA   GLY  73           HA2      GLY  73  57.499  -6.764  -7.976
  570   2HA   GLY  73           HA1      GLY  73  58.283  -5.918  -9.303
  571    H    ARG  74           HN       ARG  74  56.870  -3.605  -9.551
  572    HA   ARG  74           HA       ARG  74  57.256  -1.422  -8.567
  573   1HB   ARG  74           HB2      ARG  74  55.307  -0.961  -7.128
  574   2HB   ARG  74           HB1      ARG  74  54.847  -1.923  -8.531
  575   1HG   ARG  74           HG2      ARG  74  53.911  -3.375  -7.079
  576   2HG   ARG  74           HG1      ARG  74  55.549  -3.827  -6.615
  577   1HD   ARG  74           HD2      ARG  74  55.382  -2.788  -4.616
  578   2HD   ARG  74           HD1      ARG  74  54.662  -1.350  -5.338
  579    HE   ARG  74           HE       ARG  74  53.140  -3.764  -4.471
  580   1HH1  ARG  74           HH12     ARG  74  51.129  -3.091  -5.983
  581   2HH1  ARG  74           HH11     ARG  74  50.448  -1.593  -5.444
  582   1HH2  ARG  74           HH21     ARG  74  53.226  -0.699  -3.572
  583   2HH2  ARG  74           HH22     ARG  74  51.635  -0.238  -4.079
   
  No H/Q in entry =         583
  Start of MODEL   14
    1    H    MET   1           HN       MET   1  55.906 -10.121 -10.535
    2    HA   MET   1           HA       MET   1  56.048 -10.599  -7.636
    3   1HB   MET   1           HB2      MET   1  57.804  -9.181  -9.619
    4   2HB   MET   1           HB1      MET   1  58.049  -9.017  -7.878
    5   1HG   MET   1           HG2      MET   1  59.247 -10.928  -7.977
    6   2HG   MET   1           HG1      MET   1  57.719 -11.762  -8.264
    7   1HE   MET   1           HE3      MET   1  56.794 -12.453  -9.979
    8   2HE   MET   1           HE2      MET   1  56.859 -11.558 -11.495
    9   3HE   MET   1           HE1      MET   1  57.642 -13.132 -11.375
   10    H    LEU   2           HN       LEU   2  53.790  -9.378  -7.620
   11    HA   LEU   2           HA       LEU   2  53.892  -6.492  -7.811
   12   1HB   LEU   2           HB2      LEU   2  51.799  -7.965  -7.883
   13   2HB   LEU   2           HB1      LEU   2  51.967  -8.115  -6.135
   14    HG   LEU   2           HG       LEU   2  51.978  -5.590  -6.010
   15   1HD1  LEU   2           HD11     LEU   2  51.599  -6.011  -8.944
   16   2HD1  LEU   2           HD13     LEU   2  50.722  -4.682  -8.184
   17   3HD1  LEU   2           HD12     LEU   2  52.483  -4.741  -8.098
   18   1HD2  LEU   2           HD22     LEU   2  49.561  -6.998  -7.183
   19   2HD2  LEU   2           HD21     LEU   2  49.952  -6.823  -5.472
   20   3HD2  LEU   2           HD23     LEU   2  49.505  -5.408  -6.424
   21    H    GLN   3           HN       GLN   3  55.620  -8.392  -5.846
   22    HA   GLN   3           HA       GLN   3  56.291  -6.399  -3.955
   23   1HB   GLN   3           HB2      GLN   3  55.144  -7.112  -1.955
   24   2HB   GLN   3           HB1      GLN   3  53.918  -6.883  -3.201
   25   1HG   GLN   3           HG2      GLN   3  54.772  -9.536  -3.510
   26   2HG   GLN   3           HG1      GLN   3  54.626  -9.301  -1.768
   27   1HE2  GLN   3           HE22     GLN   3  51.277  -9.331  -4.090
   28   2HE2  GLN   3           HE21     GLN   3  52.820  -9.410  -4.796
   29    H    LYS   4           HN       LYS   4  58.036  -7.870  -5.227
   30    HA   LYS   4           HA       LYS   4  58.636 -10.300  -3.632
   31   1HB   LYS   4           HB2      LYS   4  58.763  -9.875  -6.322
   32   2HB   LYS   4           HB1      LYS   4  60.436  -9.564  -5.857
   33   1HG   LYS   4           HG2      LYS   4  58.889 -12.027  -5.009
   34   2HG   LYS   4           HG1      LYS   4  59.955 -11.976  -6.413
   35   1HD   LYS   4           HD2      LYS   4  61.567 -12.606  -4.937
   36   2HD   LYS   4           HD1      LYS   4  61.569 -10.903  -4.480
   37   1HE   LYS   4           HE2      LYS   4  61.343 -12.425  -2.513
   38   2HE   LYS   4           HE1      LYS   4  59.968 -11.336  -2.692
   39   1HZ   LYS   4           HZ2      LYS   4  59.787 -13.890  -4.072
   40   2HZ   LYS   4           HZ1      LYS   4  59.710 -13.951  -2.376
   41   3HZ   LYS   4           HZ3      LYS   4  58.592 -13.015  -3.240
   42    H    LYS   5           HN       LYS   5  60.409  -7.398  -4.816
   43    HA   LYS   5           HA       LYS   5  62.589  -7.924  -2.972
   44   1HB   LYS   5           HB2      LYS   5  63.716  -6.395  -4.236
   45   2HB   LYS   5           HB1      LYS   5  62.346  -6.550  -5.333
   46   1HG   LYS   5           HG2      LYS   5  61.261  -4.625  -4.364
   47   2HG   LYS   5           HG1      LYS   5  62.476  -4.523  -3.099
   48   1HD   LYS   5           HD2      LYS   5  63.343  -4.427  -5.969
   49   2HD   LYS   5           HD1      LYS   5  62.687  -2.974  -5.213
   50   1HE   LYS   5           HE2      LYS   5  64.405  -2.904  -3.588
   51   2HE   LYS   5           HE1      LYS   5  64.875  -4.577  -3.890
   52   1HZ   LYS   5           HZ1      LYS   5  65.020  -2.728  -6.140
   53   2HZ   LYS   5           HZ3      LYS   5  66.178  -2.535  -4.916
   54   3HZ   LYS   5           HZ2      LYS   5  66.040  -4.022  -5.727
   55    H    ILE   6           HN       ILE   6  59.580  -6.309  -2.836
   56    HA   ILE   6           HA       ILE   6  60.419  -4.660  -0.518
   57    HB   ILE   6           HB       ILE   6  57.652  -4.723  -1.688
   58   1HG1  ILE   6           HG12     ILE   6  59.559  -4.526  -3.467
   59   2HG1  ILE   6           HG11     ILE   6  58.273  -3.309  -3.474
   60   1HG2  ILE   6           HG21     ILE   6  59.311  -2.977   0.035
   61   2HG2  ILE   6           HG23     ILE   6  58.296  -2.141  -1.136
   62   3HG2  ILE   6           HG22     ILE   6  57.568  -3.232   0.044
   63   1HD1  ILE   6           HD12     ILE   6  60.647  -2.762  -1.759
   64   2HD1  ILE   6           HD11     ILE   6  60.868  -2.635  -3.503
   65   3HD1  ILE   6           HD13     ILE   6  59.654  -1.644  -2.694
   66    H    GLU   7           HN       GLU   7  58.346  -7.392  -1.365
   67    HA   GLU   7           HA       GLU   7  57.165  -7.564   1.301
   68   1HB   GLU   7           HB2      GLU   7  56.108  -8.486  -0.820
   69   2HB   GLU   7           HB1      GLU   7  57.342  -9.747  -0.793
   70   1HG   GLU   7           HG2      GLU   7  55.623 -10.789   0.367
   71   2HG   GLU   7           HG1      GLU   7  56.536 -10.069   1.693
   72    H    GLU   8           HN       GLU   8  60.107  -8.461  -0.198
   73    HA   GLU   8           HA       GLU   8  60.743 -10.652   1.623
   74   1HB   GLU   8           HB2      GLU   8  62.868 -10.707   0.497
   75   2HB   GLU   8           HB1      GLU   8  61.650 -10.396  -0.739
   76   1HG   GLU   8           HG2      GLU   8  62.132  -7.988  -0.659
   77   2HG   GLU   8           HG1      GLU   8  63.305  -8.267   0.644
   78    H    ILE   9           HN       ILE   9  61.682  -7.228   1.258
   79    HA   ILE   9           HA       ILE   9  63.395  -7.272   3.602
   80    HB   ILE   9           HB       ILE   9  63.399  -5.629   1.557
   81   1HG1  ILE   9           HG12     ILE   9  65.028  -5.383   3.285
   82   2HG1  ILE   9           HG11     ILE   9  64.281  -3.796   3.106
   83   1HG2  ILE   9           HG22     ILE   9  60.946  -4.997   2.159
   84   2HG2  ILE   9           HG21     ILE   9  61.682  -3.982   3.399
   85   3HG2  ILE   9           HG23     ILE   9  62.059  -3.710   1.698
   86   1HD1  ILE   9           HD13     ILE   9  62.658  -4.563   4.965
   87   2HD1  ILE   9           HD12     ILE   9  63.832  -5.844   5.273
   88   3HD1  ILE   9           HD11     ILE   9  64.306  -4.154   5.442
   89    H    ALA  10           HN       ALA  10  60.054  -6.466   2.902
   90    HA   ALA  10           HA       ALA  10  59.407  -5.341   5.474
   91   1HB   ALA  10           HB2      ALA  10  58.081  -5.520   3.123
   92   2HB   ALA  10           HB1      ALA  10  57.331  -6.864   3.987
   93   3HB   ALA  10           HB3      ALA  10  57.262  -5.235   4.659
   94    H    ALA  11           HN       ALA  11  58.881  -8.568   4.059
   95    HA   ALA  11           HA       ALA  11  57.883  -9.775   6.443
   96   1HB   ALA  11           HB2      ALA  11  57.765 -10.703   4.075
   97   2HB   ALA  11           HB1      ALA  11  59.446 -11.193   4.278
   98   3HB   ALA  11           HB3      ALA  11  58.200 -11.867   5.327
   99    H    LYS  12           HN       LYS  12  61.180  -9.196   5.269
  100    HA   LYS  12           HA       LYS  12  62.260 -10.884   7.435
  101   1HB   LYS  12           HB2      LYS  12  64.368 -10.613   6.461
  102   2HB   LYS  12           HB1      LYS  12  63.300 -10.520   5.063
  103   1HG   LYS  12           HG2      LYS  12  64.234  -8.533   4.594
  104   2HG   LYS  12           HG1      LYS  12  63.448  -7.889   6.036
  105   1HD   LYS  12           HD2      LYS  12  65.734  -7.401   6.379
  106   2HD   LYS  12           HD1      LYS  12  65.482  -8.872   7.318
  107   1HE   LYS  12           HE2      LYS  12  66.092  -9.902   4.853
  108   2HE   LYS  12           HE1      LYS  12  67.096  -8.452   4.887
  109   1HZ   LYS  12           HZ1      LYS  12  67.227  -9.721   7.390
  110   2HZ   LYS  12           HZ3      LYS  12  67.541 -10.877   6.188
  111   3HZ   LYS  12           HZ2      LYS  12  68.476  -9.461   6.269
  112    H    TYR  13           HN       TYR  13  60.653  -8.882   8.461
  113    HA   TYR  13           HA       TYR  13  62.623  -6.960   9.622
  114   1HB   TYR  13           HB2      TYR  13  59.703  -6.776   9.005
  115   2HB   TYR  13           HB1      TYR  13  60.305  -5.912  10.415
  116    HD1  TYR  13           HD1      TYR  13  63.024  -5.134   9.576
  117    HD2  TYR  13           HD2      TYR  13  59.340  -5.122   7.365
  118    HE1  TYR  13           HE1      TYR  13  63.911  -3.345   8.109
  119    HE2  TYR  13           HE2      TYR  13  60.229  -3.332   5.899
  120    HH   TYR  13           HH       TYR  13  63.207  -2.629   5.451
  121    H    LYS  14           HN       LYS  14  63.017  -7.093  11.792
  122    HA   LYS  14           HA       LYS  14  61.752  -9.294  13.285
  123   1HB   LYS  14           HB2      LYS  14  64.009  -7.370  13.871
  124   2HB   LYS  14           HB1      LYS  14  63.356  -8.437  15.114
  125   1HG   LYS  14           HG2      LYS  14  63.858 -10.398  13.744
  126   2HG   LYS  14           HG1      LYS  14  64.429  -9.364  12.435
  127   1HD   LYS  14           HD2      LYS  14  66.437  -9.910  13.482
  128   2HD   LYS  14           HD1      LYS  14  66.029  -8.397  14.293
  129   1HE   LYS  14           HE2      LYS  14  65.376  -9.465  16.255
  130   2HE   LYS  14           HE1      LYS  14  65.010 -10.980  15.430
  131   1HZ   LYS  14           HZ1      LYS  14  67.774 -10.040  15.366
  132   2HZ   LYS  14           HZ3      LYS  14  67.198 -10.653  16.838
  133   3HZ   LYS  14           HZ2      LYS  14  67.167 -11.625  15.445
  134    H    HIS  15           HN       HIS  15  59.896  -7.310  12.632
  135    HA   HIS  15           HA       HIS  15  58.882  -6.613  15.252
  136   1HB   HIS  15           HB2      HIS  15  60.613  -4.718  13.963
  137   2HB   HIS  15           HB1      HIS  15  58.973  -4.069  13.967
  138    HD1  HIS  15           HD1      HIS  15  61.688  -5.263  16.303
  139    HD2  HIS  15           HD2      HIS  15  57.962  -3.405  16.523
  140    HE1  HIS  15           HE1      HIS  15  61.412  -4.492  18.700
  141    H    SER  16           HN       SER  16  56.814  -7.245  14.804
  142    HA   SER  16           HA       SER  16  55.497  -7.423  12.387
  143   1HB   SER  16           HB2      SER  16  54.526  -8.132  14.547
  144   2HB   SER  16           HB1      SER  16  54.246  -6.446  14.969
  145    HG   SER  16           HG       SER  16  52.490  -7.776  13.899
  146    H    VAL  17           HN       VAL  17  55.748  -4.395  14.315
  147    HA   VAL  17           HA       VAL  17  54.020  -2.832  12.701
  148    HB   VAL  17           HB       VAL  17  56.392  -2.075  14.417
  149   1HG1  VAL  17           HG13     VAL  17  56.015  -0.363  12.673
  150   2HG1  VAL  17           HG12     VAL  17  54.312  -0.283  13.124
  151   3HG1  VAL  17           HG11     VAL  17  55.554   0.238  14.265
  152   1HG2  VAL  17           HG22     VAL  17  54.052  -3.075  15.230
  153   2HG2  VAL  17           HG21     VAL  17  54.855  -1.781  16.120
  154   3HG2  VAL  17           HG23     VAL  17  53.539  -1.402  15.007
  155    H    VAL  18           HN       VAL  18  57.498  -3.528  12.331
  156    HA   VAL  18           HA       VAL  18  58.043  -1.592  10.326
  157    HB   VAL  18           HB       VAL  18  59.242  -4.337  10.155
  158   1HG1  VAL  18           HG12     VAL  18  60.296  -1.516   9.925
  159   2HG1  VAL  18           HG11     VAL  18  61.289  -2.964   9.778
  160   3HG1  VAL  18           HG13     VAL  18  60.017  -2.645   8.600
  161   1HG2  VAL  18           HG22     VAL  18  59.102  -2.823  12.580
  162   2HG2  VAL  18           HG21     VAL  18  59.987  -4.315  12.260
  163   3HG2  VAL  18           HG23     VAL  18  60.756  -2.759  11.978
  164    H    LYS  19           HN       LYS  19  56.164  -4.477  10.285
  165    HA   LYS  19           HA       LYS  19  56.281  -5.110   7.500
  166   1HB   LYS  19           HB2      LYS  19  55.146  -6.342   9.564
  167   2HB   LYS  19           HB1      LYS  19  53.726  -5.443   9.027
  168   1HG   LYS  19           HG2      LYS  19  53.523  -6.653   7.100
  169   2HG   LYS  19           HG1      LYS  19  55.268  -6.793   6.886
  170   1HD   LYS  19           HD2      LYS  19  54.387  -8.218   9.261
  171   2HD   LYS  19           HD1      LYS  19  53.545  -8.793   7.821
  172   1HE   LYS  19           HE2      LYS  19  56.185  -8.487   6.976
  173   2HE   LYS  19           HE1      LYS  19  56.333  -9.160   8.599
  174   1HZ   LYS  19           HZ1      LYS  19  54.302 -10.350   6.894
  175   2HZ   LYS  19           HZ3      LYS  19  55.911 -10.643   6.444
  176   3HZ   LYS  19           HZ2      LYS  19  55.371 -11.085   7.992
  177    H    LYS  20           HN       LYS  20  53.622  -3.421   9.217
  178    HA   LYS  20           HA       LYS  20  52.299  -2.448   6.937
  179   1HB   LYS  20           HB2      LYS  20  51.197  -2.193   9.024
  180   2HB   LYS  20           HB1      LYS  20  52.565  -1.334   9.727
  181   1HG   LYS  20           HG2      LYS  20  51.743   0.640   9.025
  182   2HG   LYS  20           HG1      LYS  20  51.670   0.060   7.360
  183   1HD   LYS  20           HD2      LYS  20  49.439   0.764   8.351
  184   2HD   LYS  20           HD1      LYS  20  49.480  -0.876   7.701
  185   1HE   LYS  20           HE2      LYS  20  49.301  -1.846   9.769
  186   2HE   LYS  20           HE1      LYS  20  50.238  -0.579  10.560
  187   1HZ   LYS  20           HZ1      LYS  20  47.607   0.105   9.463
  188   2HZ   LYS  20           HZ3      LYS  20  47.668  -0.775  10.913
  189   3HZ   LYS  20           HZ2      LYS  20  48.419   0.746  10.812
  190    H    CYS  21           HN       CYS  21  54.971  -0.986   8.768
  191    HA   CYS  21           HA       CYS  21  55.148   1.492   7.468
  192   1HB   CYS  21           HB2      CYS  21  57.379  -0.298   8.471
  193   2HB   CYS  21           HB1      CYS  21  57.575   1.404   8.047
  194    H    CYS  22           HN       CYS  22  56.919  -1.492   6.544
  195    HA   CYS  22           HA       CYS  22  57.881  -0.331   4.076
  196   1HB   CYS  22           HB2      CYS  22  59.141  -2.151   4.964
  197   2HB   CYS  22           HB1      CYS  22  57.709  -3.165   5.121
  198    H    TYR  23           HN       TYR  23  54.905  -1.703   5.093
  199    HA   TYR  23           HA       TYR  23  53.973  -2.724   2.585
  200   1HB   TYR  23           HB2      TYR  23  52.894  -2.218   5.210
  201   2HB   TYR  23           HB1      TYR  23  51.751  -1.716   3.977
  202    HD1  TYR  23           HD2      TYR  23  51.415  -3.355   1.964
  203    HD2  TYR  23           HD1      TYR  23  53.024  -4.433   5.788
  204    HE1  TYR  23           HE2      TYR  23  50.848  -5.730   1.526
  205    HE2  TYR  23           HE1      TYR  23  52.464  -6.775   5.349
  206    HH   TYR  23           HH       TYR  23  51.908  -8.285   3.696
  207    H    ASP  24           HN       ASP  24  53.387   0.400   4.224
  208    HA   ASP  24           HA       ASP  24  52.110   1.598   1.928
  209   1HB   ASP  24           HB2      ASP  24  53.566   3.270   3.941
  210   2HB   ASP  24           HB1      ASP  24  51.987   3.532   3.209
  211    H    GLY  25           HN       GLY  25  55.391   1.753   3.299
  212   1HA   GLY  25           HA2      GLY  25  56.663   3.526   1.616
  213   2HA   GLY  25           HA1      GLY  25  57.438   2.023   2.138
  214    H    ALA  26           HN       ALA  26  56.222   0.046   0.861
  215    HA   ALA  26           HA       ALA  26  57.033   0.291  -1.880
  216   1HB   ALA  26           HB1      ALA  26  56.416  -1.804  -0.216
  217   2HB   ALA  26           HB3      ALA  26  55.020  -1.781  -1.291
  218   3HB   ALA  26           HB2      ALA  26  56.643  -1.949  -1.959
  219    H    CYS  27           HN       CYS  27  53.892   0.585  -0.255
  220    HA   CYS  27           HA       CYS  27  52.481   0.909  -2.814
  221   1HB   CYS  27           HB2      CYS  27  51.648   1.005   0.085
  222   2HB   CYS  27           HB1      CYS  27  50.545   1.483  -1.204
  223    HG   CYS  27           HG       CYS  27  51.559  -1.398  -0.688
  224    H    VAL  28           HN       VAL  28  54.587   2.851  -1.482
  225    HA   VAL  28           HA       VAL  28  53.843   5.299  -0.714
  226    HB   VAL  28           HB       VAL  28  56.095   5.020  -1.463
  227   1HG1  VAL  28           HG13     VAL  28  55.378   3.366  -3.279
  228   2HG1  VAL  28           HG12     VAL  28  55.121   4.773  -4.311
  229   3HG1  VAL  28           HG11     VAL  28  56.730   4.426  -3.676
  230   1HG2  VAL  28           HG23     VAL  28  54.698   7.275  -2.057
  231   2HG2  VAL  28           HG22     VAL  28  56.427   7.107  -2.364
  232   3HG2  VAL  28           HG21     VAL  28  55.269   6.837  -3.666
  233    H    ASN  29           HN       ASN  29  52.690   7.102  -1.468
  234    HA   ASN  29           HA       ASN  29  50.410   6.857  -2.974
  235   1HB   ASN  29           HB2      ASN  29  52.232   9.282  -3.003
  236   2HB   ASN  29           HB1      ASN  29  50.514   9.276  -3.406
  237   1HD2  ASN  29           HD22     ASN  29  50.094   8.096   0.249
  238   2HD2  ASN  29           HD21     ASN  29  50.086   7.177  -1.177
  239    H    ASN  30           HN       ASN  30  52.996   8.694  -4.581
  240    HA   ASN  30           HA       ASN  30  52.872   6.849  -6.893
  241   1HB   ASN  30           HB2      ASN  30  52.644   9.097  -8.303
  242   2HB   ASN  30           HB1      ASN  30  51.218   8.234  -7.730
  243   1HD2  ASN  30           HD22     ASN  30  51.666  11.993  -6.565
  244   2HD2  ASN  30           HD21     ASN  30  52.386  11.305  -7.940
  245    H    ASP  31           HN       ASP  31  54.008  10.215  -6.533
  246    HA   ASP  31           HA       ASP  31  56.554   9.600  -7.738
  247   1HB   ASP  31           HB2      ASP  31  57.138  11.884  -7.249
  248   2HB   ASP  31           HB1      ASP  31  55.430  11.875  -7.689
  249    H    GLU  32           HN       GLU  32  58.348  10.958  -5.995
  250    HA   GLU  32           HA       GLU  32  58.812   8.795  -4.045
  251   1HB   GLU  32           HB2      GLU  32  60.508  11.242  -4.625
  252   2HB   GLU  32           HB1      GLU  32  61.007   9.794  -3.751
  253   1HG   GLU  32           HG2      GLU  32  61.850   9.333  -5.869
  254   2HG   GLU  32           HG1      GLU  32  60.261   8.572  -5.972
  255    H    THR  33           HN       THR  33  56.593  10.020  -3.176
  256    HA   THR  33           HA       THR  33  57.570  11.575  -0.830
  257    HB   THR  33           HB       THR  33  55.294  12.859  -1.094
  258    HG1  THR  33           HG1      THR  33  54.695  13.064  -3.257
  259   1HG2  THR  33           HG23     THR  33  57.909  13.280  -2.463
  260   2HG2  THR  33           HG22     THR  33  56.577  14.350  -2.901
  261   3HG2  THR  33           HG21     THR  33  57.117  14.256  -1.224
  262    H    CYS  34           HN       CYS  34  57.045   8.877  -0.841
  263    HA   CYS  34           HA       CYS  34  54.492   7.932  -0.319
  264   1HB   CYS  34           HB2      CYS  34  55.785   6.618   1.640
  265   2HB   CYS  34           HB1      CYS  34  55.957   6.193  -0.058
  266    H    GLU  35           HN       GLU  35  56.280   8.126   2.665
  267    HA   GLU  35           HA       GLU  35  53.974   9.049   4.122
  268   1HB   GLU  35           HB2      GLU  35  56.883   8.975   4.958
  269   2HB   GLU  35           HB1      GLU  35  55.515   9.135   6.052
  270   1HG   GLU  35           HG2      GLU  35  55.637   6.830   4.132
  271   2HG   GLU  35           HG1      GLU  35  56.515   6.762   5.660
  272    H    GLN  36           HN       GLN  36  56.837  10.656   2.806
  273    HA   GLN  36           HA       GLN  36  56.637  13.167   4.062
  274   1HB   GLN  36           HB2      GLN  36  57.117  12.866   1.087
  275   2HB   GLN  36           HB1      GLN  36  57.802  14.067   2.185
  276   1HG   GLN  36           HG2      GLN  36  58.531  11.584   3.275
  277   2HG   GLN  36           HG1      GLN  36  58.785  11.414   1.538
  278   1HE2  GLN  36           HE22     GLN  36  61.599  13.295   3.524
  279   2HE2  GLN  36           HE21     GLN  36  60.575  12.082   4.125
  280    H    ARG  37           HN       ARG  37  54.693  11.614   1.622
  281    HA   ARG  37           HA       ARG  37  53.026  14.014   1.186
  282   1HB   ARG  37           HB2      ARG  37  53.371  12.449  -0.698
  283   2HB   ARG  37           HB1      ARG  37  52.661  11.144   0.253
  284   1HG   ARG  37           HG2      ARG  37  50.539  11.874  -0.109
  285   2HG   ARG  37           HG1      ARG  37  50.989  13.566   0.100
  286   1HD   ARG  37           HD2      ARG  37  51.374  13.876  -2.129
  287   2HD   ARG  37           HD1      ARG  37  52.052  12.261  -2.338
  288    HE   ARG  37           HE       ARG  37  49.932  11.758  -3.229
  289   1HH1  ARG  37           HH12     ARG  37  48.338  10.901  -1.264
  290   2HH1  ARG  37           HH11     ARG  37  47.203  12.152  -0.882
  291   1HH2  ARG  37           HH21     ARG  37  49.047  14.658  -2.412
  292   2HH2  ARG  37           HH22     ARG  37  47.604  14.279  -1.532
  293    H    ALA  38           HN       ALA  38  53.006  10.940   2.928
  294    HA   ALA  38           HA       ALA  38  50.403  10.713   3.845
  295   1HB   ALA  38           HB3      ALA  38  52.946  10.477   5.494
  296   2HB   ALA  38           HB2      ALA  38  51.369   9.869   5.994
  297   3HB   ALA  38           HB1      ALA  38  52.175   9.177   4.587
  298    H    ALA  39           HN       ALA  39  52.852  12.414   5.766
  299    HA   ALA  39           HA       ALA  39  51.565  14.925   5.906
  300   1HB   ALA  39           HB1      ALA  39  50.436  12.846   7.723
  301   2HB   ALA  39           HB3      ALA  39  50.717  14.442   8.417
  302   3HB   ALA  39           HB2      ALA  39  49.658  14.264   7.019
  303    H    ARG  40           HN       ARG  40  53.082  12.449   7.878
  304    HA   ARG  40           HA       ARG  40  55.556  13.803   8.230
  305   1HB   ARG  40           HB2      ARG  40  53.403  14.575  10.081
  306   2HB   ARG  40           HB1      ARG  40  54.867  14.007  10.886
  307   1HG   ARG  40           HG2      ARG  40  56.149  15.751  10.094
  308   2HG   ARG  40           HG1      ARG  40  55.200  15.915   8.616
  309   1HD   ARG  40           HD2      ARG  40  53.510  16.476  10.868
  310   2HD   ARG  40           HD1      ARG  40  54.977  17.446  10.999
  311    HE   ARG  40           HE       ARG  40  52.956  17.647   8.859
  312   1HH1  ARG  40           HH12     ARG  40  56.229  18.162   9.768
  313   2HH1  ARG  40           HH11     ARG  40  56.385  19.646   8.889
  314   1HH2  ARG  40           HH21     ARG  40  53.078  19.684   7.847
  315   2HH2  ARG  40           HH22     ARG  40  54.601  20.507   7.802
  316    H    ILE  41           HN       ILE  41  56.663  11.871   8.248
  317    HA   ILE  41           HA       ILE  41  55.703   9.402   9.086
  318    HB   ILE  41           HB       ILE  41  57.931   9.766   7.969
  319   1HG1  ILE  41           HG12     ILE  41  58.989   7.873   9.178
  320   2HG1  ILE  41           HG11     ILE  41  57.840   8.097  10.496
  321   1HG2  ILE  41           HG21     ILE  41  58.511  11.520   9.868
  322   2HG2  ILE  41           HG23     ILE  41  59.098  10.087  10.711
  323   3HG2  ILE  41           HG22     ILE  41  59.781  10.532   9.147
  324   1HD1  ILE  41           HD13     ILE  41  56.800   7.791   7.700
  325   2HD1  ILE  41           HD12     ILE  41  57.307   6.355   8.590
  326   3HD1  ILE  41           HD11     ILE  41  56.023   7.382   9.229
  327    H    SER  42           HN       SER  42  54.476   9.379  10.872
  328    HA   SER  42           HA       SER  42  55.998   9.658  13.363
  329   1HB   SER  42           HB2      SER  42  54.528  11.109  14.394
  330   2HB   SER  42           HB1      SER  42  54.469  11.716  12.736
  331    HG   SER  42           HG       SER  42  52.390  11.281  13.804
  332    H    LEU  43           HN       LEU  43  55.594   7.305  12.245
  333    HA   LEU  43           HA       LEU  43  53.352   6.218  13.835
  334   1HB   LEU  43           HB2      LEU  43  54.723   4.845  11.506
  335   2HB   LEU  43           HB1      LEU  43  53.228   4.352  12.300
  336    HG   LEU  43           HG       LEU  43  53.303   7.113  11.188
  337   1HD1  LEU  43           HD11     LEU  43  54.302   5.205   9.553
  338   2HD1  LEU  43           HD13     LEU  43  52.579   4.968   9.260
  339   3HD1  LEU  43           HD12     LEU  43  53.316   6.544   8.967
  340   1HD2  LEU  43           HD22     LEU  43  51.359   5.914  12.386
  341   2HD2  LEU  43           HD21     LEU  43  50.983   6.708  10.857
  342   3HD2  LEU  43           HD23     LEU  43  51.199   4.959  10.911
  343    H    GLY  44           HN       GLY  44  56.685   6.530  13.604
  344   1HA   GLY  44           HA2      GLY  44  57.546   5.452  15.897
  345   2HA   GLY  44           HA1      GLY  44  57.256   3.967  14.989
  346    HA   PRO  45           HA       PRO  45  61.562   5.571  13.922
  347   1HB   PRO  45           HB2      PRO  45  62.938   3.587  15.160
  348   2HB   PRO  45           HB1      PRO  45  62.439   5.068  15.988
  349   1HG   PRO  45           HG2      PRO  45  61.352   2.331  16.232
  350   2HG   PRO  45           HG1      PRO  45  61.401   3.639  17.422
  351   1HD   PRO  45           HD2      PRO  45  59.177   2.856  15.916
  352   2HD   PRO  45           HD1      PRO  45  59.322   4.340  16.859
  353    H    ARG  46           HN       ARG  46  60.958   2.060  14.358
  354    HA   ARG  46           HA       ARG  46  62.359   1.098  12.165
  355   1HB   ARG  46           HB2      ARG  46  61.091  -0.870  12.331
  356   2HB   ARG  46           HB1      ARG  46  60.909  -0.169  13.935
  357   1HG   ARG  46           HG2      ARG  46  58.908   0.339  11.715
  358   2HG   ARG  46           HG1      ARG  46  58.765  -1.016  12.825
  359   1HD   ARG  46           HD2      ARG  46  59.167   1.732  13.952
  360   2HD   ARG  46           HD1      ARG  46  57.569   1.267  13.375
  361    HE   ARG  46           HE       ARG  46  58.389  -0.842  15.012
  362   1HH1  ARG  46           HH21     ARG  46  56.639   1.974  15.172
  363   2HH1  ARG  46           HH22     ARG  46  56.783   2.196  16.883
  364   1HH2  ARG  46           HH12     ARG  46  59.144  -0.313  17.278
  365   2HH2  ARG  46           HH11     ARG  46  58.201   0.900  18.076
  366    H    CYS  47           HN       CYS  47  59.265   2.745  12.200
  367    HA   CYS  47           HA       CYS  47  58.457   2.206   9.507
  368   1HB   CYS  47           HB2      CYS  47  57.528   3.743  11.703
  369   2HB   CYS  47           HB1      CYS  47  57.679   4.855  10.341
  370    H    ILE  48           HN       ILE  48  60.106   5.088  10.833
  371    HA   ILE  48           HA       ILE  48  60.405   6.634   8.614
  372    HB   ILE  48           HB       ILE  48  62.945   6.073  10.109
  373   1HG1  ILE  48           HG12     ILE  48  61.342   5.948  11.911
  374   2HG1  ILE  48           HG11     ILE  48  62.043   7.565  11.952
  375   1HG2  ILE  48           HG23     ILE  48  62.801   7.857   8.397
  376   2HG2  ILE  48           HG22     ILE  48  61.491   8.610   9.308
  377   3HG2  ILE  48           HG21     ILE  48  63.109   8.519  10.004
  378   1HD1  ILE  48           HD13     ILE  48  60.099   8.428  10.685
  379   2HD1  ILE  48           HD12     ILE  48  59.390   6.814  10.693
  380   3HD1  ILE  48           HD11     ILE  48  59.605   7.689  12.208
  381    H    LYS  49           HN       LYS  49  62.979   4.244   9.341
  382    HA   LYS  49           HA       LYS  49  63.890   4.354   6.577
  383   1HB   LYS  49           HB2      LYS  49  65.311   4.022   8.709
  384   2HB   LYS  49           HB1      LYS  49  64.800   2.336   8.616
  385   1HG   LYS  49           HG2      LYS  49  66.054   1.920   6.750
  386   2HG   LYS  49           HG1      LYS  49  65.778   3.529   6.081
  387   1HD   LYS  49           HD2      LYS  49  67.866   4.058   6.746
  388   2HD   LYS  49           HD1      LYS  49  67.272   3.981   8.405
  389   1HE   LYS  49           HE2      LYS  49  68.151   1.884   8.772
  390   2HE   LYS  49           HE1      LYS  49  67.975   1.401   7.086
  391   1HZ   LYS  49           HZ3      LYS  49  69.766   3.172   6.672
  392   2HZ   LYS  49           HZ2      LYS  49  70.086   3.036   8.335
  393   3HZ   LYS  49           HZ1      LYS  49  70.242   1.680   7.321
  394    H    ALA  50           HN       ALA  50  61.646   2.324   8.296
  395    HA   ALA  50           HA       ALA  50  62.010   0.027   6.575
  396   1HB   ALA  50           HB1      ALA  50  59.651   0.835   8.303
  397   2HB   ALA  50           HB3      ALA  50  59.835  -0.732   7.514
  398   3HB   ALA  50           HB2      ALA  50  60.962  -0.242   8.780
  399    H    PHE  51           HN       PHE  51  59.345   2.351   6.880
  400    HA   PHE  51           HA       PHE  51  58.233   1.732   4.366
  401   1HB   PHE  51           HB2      PHE  51  56.659   3.310   4.867
  402   2HB   PHE  51           HB1      PHE  51  57.351   3.176   6.478
  403    HD1  PHE  51           HD2      PHE  51  57.641   5.122   3.278
  404    HD2  PHE  51           HD1      PHE  51  58.302   5.059   7.505
  405    HE1  PHE  51           HE2      PHE  51  58.296   7.518   3.229
  406    HE2  PHE  51           HE1      PHE  51  58.963   7.427   7.452
  407    HZ   PHE  51           HZ       PHE  51  58.949   8.663   5.331
  408    H    THR  52           HN       THR  52  60.369   4.390   5.407
  409    HA   THR  52           HA       THR  52  60.524   5.688   2.912
  410    HB   THR  52           HB       THR  52  62.687   5.369   5.013
  411    HG1  THR  52           HG1      THR  52  61.229   7.700   4.569
  412   1HG2  THR  52           HG21     THR  52  63.383   6.068   2.627
  413   2HG2  THR  52           HG23     THR  52  62.496   7.556   2.948
  414   3HG2  THR  52           HG22     THR  52  63.873   7.117   3.957
  415    H    GLU  53           HN       GLU  53  62.417   2.980   4.157
  416    HA   GLU  53           HA       GLU  53  64.200   2.711   1.957
  417   1HB   GLU  53           HB2      GLU  53  64.737   1.683   4.051
  418   2HB   GLU  53           HB1      GLU  53  63.233   0.766   4.021
  419   1HG   GLU  53           HG2      GLU  53  65.108  -0.670   3.348
  420   2HG   GLU  53           HG1      GLU  53  64.003  -0.426   1.995
  421    H    CYS  54           HN       CYS  54  61.075   1.160   2.644
  422    HA   CYS  54           HA       CYS  54  61.200  -0.528   0.280
  423   1HB   CYS  54           HB2      CYS  54  59.121   0.124   2.340
  424   2HB   CYS  54           HB1      CYS  54  58.654  -0.712   0.857
  425    H    CYS  55           HN       CYS  55  60.051   2.638   1.043
  426    HA   CYS  55           HA       CYS  55  58.471   2.883  -1.414
  427   1HB   CYS  55           HB2      CYS  55  57.463   4.244   0.117
  428   2HB   CYS  55           HB1      CYS  55  58.926   4.408   1.069
  429    H    VAL  56           HN       VAL  56  61.707   3.505  -0.313
  430    HA   VAL  56           HA       VAL  56  62.348   5.270  -2.576
  431    HB   VAL  56           HB       VAL  56  64.165   3.855  -0.586
  432   1HG1  VAL  56           HG11     VAL  56  64.904   4.836  -2.991
  433   2HG1  VAL  56           HG13     VAL  56  65.008   6.310  -2.026
  434   3HG1  VAL  56           HG12     VAL  56  65.949   4.889  -1.571
  435   1HG2  VAL  56           HG22     VAL  56  62.384   5.919  -0.092
  436   2HG2  VAL  56           HG21     VAL  56  63.820   5.557   0.865
  437   3HG2  VAL  56           HG23     VAL  56  63.895   6.770  -0.412
  438    H    VAL  57           HN       VAL  57  62.990   1.926  -1.568
  439    HA   VAL  57           HA       VAL  57  64.445   1.224  -3.946
  440    HB   VAL  57           HB       VAL  57  63.919  -1.101  -3.294
  441   1HG1  VAL  57           HG13     VAL  57  64.651   0.749  -1.008
  442   2HG1  VAL  57           HG12     VAL  57  64.845  -1.003  -0.950
  443   3HG1  VAL  57           HG11     VAL  57  65.763  -0.051  -2.117
  444   1HG2  VAL  57           HG22     VAL  57  62.088   0.258  -1.300
  445   2HG2  VAL  57           HG21     VAL  57  61.614  -0.824  -2.605
  446   3HG2  VAL  57           HG23     VAL  57  62.522  -1.450  -1.230
  447    H    ALA  58           HN       ALA  58  61.104   1.099  -2.852
  448    HA   ALA  58           HA       ALA  58  59.971   0.021  -5.246
  449   1HB   ALA  58           HB1      ALA  58  58.831   1.911  -3.159
  450   2HB   ALA  58           HB3      ALA  58  57.873   1.118  -4.409
  451   3HB   ALA  58           HB2      ALA  58  58.671   0.155  -3.165
  452    H    SER  59           HN       SER  59  61.096   3.115  -4.180
  453    HA   SER  59           HA       SER  59  59.893   4.809  -6.115
  454   1HB   SER  59           HB2      SER  59  61.328   5.339  -4.014
  455   2HB   SER  59           HB1      SER  59  62.677   5.281  -5.144
  456    HG   SER  59           HG       SER  59  60.845   7.212  -4.763
  457    H    GLN  60           HN       GLN  60  62.979   3.071  -6.114
  458    HA   GLN  60           HA       GLN  60  63.755   3.916  -8.772
  459   1HB   GLN  60           HB2      GLN  60  64.882   2.447  -6.599
  460   2HB   GLN  60           HB1      GLN  60  64.978   1.450  -8.052
  461   1HG   GLN  60           HG2      GLN  60  66.259   3.045  -9.211
  462   2HG   GLN  60           HG1      GLN  60  65.740   4.357  -8.150
  463   1HE2  GLN  60           HE22     GLN  60  68.130   3.568  -5.588
  464   2HE2  GLN  60           HE21     GLN  60  66.621   4.295  -5.863
  465    H    LEU  61           HN       LEU  61  61.861   1.332  -7.430
  466    HA   LEU  61           HA       LEU  61  61.961  -0.419  -9.716
  467   1HB   LEU  61           HB2      LEU  61  60.108  -0.104  -7.356
  468   2HB   LEU  61           HB1      LEU  61  59.808  -1.308  -8.599
  469    HG   LEU  61           HG       LEU  61  62.141  -1.104  -6.729
  470   1HD1  LEU  61           HD11     LEU  61  59.934  -3.063  -7.274
  471   2HD1  LEU  61           HD13     LEU  61  61.444  -3.626  -6.563
  472   3HD1  LEU  61           HD12     LEU  61  60.478  -2.409  -5.730
  473   1HD2  LEU  61           HD23     LEU  61  61.963  -2.341  -9.432
  474   2HD2  LEU  61           HD22     LEU  61  63.369  -1.698  -8.585
  475   3HD2  LEU  61           HD21     LEU  61  62.747  -3.294  -8.171
  476    H    ARG  62           HN       ARG  62  59.961   2.289  -8.688
  477    HA   ARG  62           HA       ARG  62  58.339   1.987 -11.139
  478   1HB   ARG  62           HB2      ARG  62  56.812   3.614 -10.138
  479   2HB   ARG  62           HB1      ARG  62  57.134   2.309  -8.997
  480   1HG   ARG  62           HG2      ARG  62  58.713   3.661  -7.783
  481   2HG   ARG  62           HG1      ARG  62  58.662   4.922  -9.013
  482   1HD   ARG  62           HD2      ARG  62  57.252   5.708  -7.264
  483   2HD   ARG  62           HD1      ARG  62  56.156   5.107  -8.506
  484    HE   ARG  62           HE       ARG  62  56.786   3.681  -5.957
  485   1HH1  ARG  62           HH12     ARG  62  55.311   3.535  -9.032
  486   2HH1  ARG  62           HH11     ARG  62  53.880   2.738  -8.474
  487   1HH2  ARG  62           HH21     ARG  62  54.769   2.910  -5.128
  488   2HH2  ARG  62           HH22     ARG  62  53.574   2.381  -6.265
  489    H    ALA  63           HN       ALA  63  61.091   3.684 -10.112
  490    HA   ALA  63           HA       ALA  63  60.484   5.983 -11.898
  491   1HB   ALA  63           HB3      ALA  63  61.442   6.293  -9.541
  492   2HB   ALA  63           HB2      ALA  63  62.945   5.629 -10.181
  493   3HB   ALA  63           HB1      ALA  63  62.288   7.125 -10.845
  494    H    ASN  64           HN       ASN  64  61.956   2.956 -12.041
  495    HA   ASN  64           HA       ASN  64  63.543   3.849 -14.412
  496   1HB   ASN  64           HB2      ASN  64  64.572   2.775 -11.992
  497   2HB   ASN  64           HB1      ASN  64  64.748   1.529 -13.228
  498   1HD2  ASN  64           HD22     ASN  64  67.756   3.296 -13.998
  499   2HD2  ASN  64           HD21     ASN  64  67.122   1.937 -13.202
  500    H    ILE  65           HN       ILE  65  61.299   1.590 -13.068
  501    HA   ILE  65           HA       ILE  65  61.606  -0.126 -15.498
  502    HB   ILE  65           HB       ILE  65  60.073  -0.976 -13.055
  503   1HG1  ILE  65           HG12     ILE  65  62.271  -0.178 -12.244
  504   2HG1  ILE  65           HG11     ILE  65  62.159  -1.935 -12.144
  505   1HG2  ILE  65           HG22     ILE  65  61.254  -2.178 -15.492
  506   2HG2  ILE  65           HG21     ILE  65  61.440  -3.124 -14.016
  507   3HG2  ILE  65           HG23     ILE  65  59.831  -2.667 -14.572
  508   1HD1  ILE  65           HD11     ILE  65  63.140  -1.178 -14.747
  509   2HD1  ILE  65           HD13     ILE  65  64.128  -0.420 -13.497
  510   3HD1  ILE  65           HD12     ILE  65  63.923  -2.172 -13.519
  511    H    SER  66           HN       SER  66  59.361  -1.220 -16.023
  512    HA   SER  66           HA       SER  66  56.952   0.241 -15.433
  513   1HB   SER  66           HB2      SER  66  58.168   1.903 -16.895
  514   2HB   SER  66           HB1      SER  66  58.100   0.720 -18.198
  515    HG   SER  66           HG       SER  66  56.077   1.204 -18.484
  516    H    HIS  67           HN       HIS  67  56.994  -2.297 -15.199
  517    HA   HIS  67           HA       HIS  67  55.211  -3.395 -17.133
  518   1HB   HIS  67           HB2      HIS  67  57.927  -3.454 -17.948
  519   2HB   HIS  67           HB1      HIS  67  57.513  -5.098 -17.470
  520    HD1  HIS  67           HD1      HIS  67  57.782  -3.637 -20.468
  521    HD2  HIS  67           HD2      HIS  67  54.385  -5.141 -18.576
  522    HE1  HIS  67           HE1      HIS  67  56.099  -4.120 -22.298
  523    H    LYS  68           HN       LYS  68  56.135  -6.171 -16.825
  524    HA   LYS  68           HA       LYS  68  54.898  -6.970 -14.482
  525   1HB   LYS  68           HB2      LYS  68  57.295  -8.156 -15.898
  526   2HB   LYS  68           HB1      LYS  68  56.552  -8.942 -14.505
  527   1HG   LYS  68           HG2      LYS  68  54.492  -8.147 -16.350
  528   2HG   LYS  68           HG1      LYS  68  55.717  -9.080 -17.212
  529   1HD   LYS  68           HD2      LYS  68  55.393 -10.456 -14.807
  530   2HD   LYS  68           HD1      LYS  68  53.754  -9.980 -15.252
  531   1HE   LYS  68           HE2      LYS  68  53.761 -11.754 -16.651
  532   2HE   LYS  68           HE1      LYS  68  54.860 -10.815 -17.662
  533   1HZ   LYS  68           HZ1      LYS  68  56.521 -11.804 -15.803
  534   2HZ   LYS  68           HZ3      LYS  68  55.406 -13.073 -15.946
  535   3HZ   LYS  68           HZ2      LYS  68  56.243 -12.520 -17.318
  536    H    ASP  69           HN       ASP  69  58.286  -5.970 -14.824
  537    HA   ASP  69           HA       ASP  69  59.063  -6.406 -12.132
  538   1HB   ASP  69           HB2      ASP  69  60.092  -4.711 -14.395
  539   2HB   ASP  69           HB1      ASP  69  60.752  -4.496 -12.774
  540    H    MET  70           HN       MET  70  58.265  -3.328 -13.799
  541    HA   MET  70           HA       MET  70  57.959  -1.879 -11.325
  542   1HB   MET  70           HB2      MET  70  58.337  -1.013 -13.778
  543   2HB   MET  70           HB1      MET  70  56.575  -1.049 -13.859
  544   1HG   MET  70           HG2      MET  70  57.854   0.219 -11.474
  545   2HG   MET  70           HG1      MET  70  57.851   1.113 -12.995
  546   1HE   MET  70           HE1      MET  70  56.100   1.805 -14.275
  547   2HE   MET  70           HE3      MET  70  55.038   0.400 -14.445
  548   3HE   MET  70           HE2      MET  70  54.392   1.932 -13.862
  549    H    GLN  71           HN       GLN  71  55.380  -2.493 -13.730
  550    HA   GLN  71           HA       GLN  71  53.129  -1.993 -12.291
  551   1HB   GLN  71           HB2      GLN  71  53.665  -3.457 -14.582
  552   2HB   GLN  71           HB1      GLN  71  52.895  -4.639 -13.525
  553   1HG   GLN  71           HG2      GLN  71  50.921  -3.373 -13.335
  554   2HG   GLN  71           HG1      GLN  71  51.715  -1.888 -13.860
  555   1HE2  GLN  71           HE22     GLN  71  49.772  -3.131 -16.775
  556   2HE2  GLN  71           HE21     GLN  71  49.408  -2.540 -15.227
  557    H    LEU  72           HN       LEU  72  54.962  -5.069 -12.021
  558    HA   LEU  72           HA       LEU  72  53.360  -5.727  -9.590
  559   1HB   LEU  72           HB2      LEU  72  54.689  -7.253 -11.684
  560   2HB   LEU  72           HB1      LEU  72  55.170  -7.801 -10.083
  561    HG   LEU  72           HG       LEU  72  52.698  -7.830  -9.493
  562   1HD1  LEU  72           HD13     LEU  72  52.020  -6.325 -11.343
  563   2HD1  LEU  72           HD12     LEU  72  52.468  -7.575 -12.503
  564   3HD1  LEU  72           HD11     LEU  72  51.134  -7.850 -11.382
  565   1HD2  LEU  72           HD22     LEU  72  54.163  -9.639 -11.316
  566   2HD2  LEU  72           HD21     LEU  72  53.298 -10.009  -9.824
  567   3HD2  LEU  72           HD23     LEU  72  52.410  -9.838 -11.337
  568    H    GLY  73           HN       GLY  73  56.742  -6.350 -10.411
  569   1HA   GLY  73           HA2      GLY  73  57.955  -6.402  -7.988
  570   2HA   GLY  73           HA1      GLY  73  58.715  -5.596  -9.356
  571    H    ARG  74           HN       ARG  74  57.258  -3.349  -9.725
  572    HA   ARG  74           HA       ARG  74  57.522  -1.118  -8.888
  573   1HB   ARG  74           HB2      ARG  74  55.596  -0.602  -7.523
  574   2HB   ARG  74           HB1      ARG  74  55.131  -1.848  -8.681
  575   1HG   ARG  74           HG2      ARG  74  54.289  -2.839  -6.792
  576   2HG   ARG  74           HG1      ARG  74  55.943  -3.432  -6.655
  577   1HD   ARG  74           HD2      ARG  74  56.518  -1.567  -5.173
  578   2HD   ARG  74           HD1      ARG  74  54.898  -0.896  -5.359
  579    HE   ARG  74           HE       ARG  74  55.633  -3.057  -3.585
  580   1HH1  ARG  74           HH21     ARG  74  53.145  -1.118  -4.762
  581   2HH1  ARG  74           HH22     ARG  74  51.864  -2.193  -4.312
  582   1HH2  ARG  74           HH12     ARG  74  53.991  -4.768  -3.381
  583   2HH2  ARG  74           HH11     ARG  74  52.342  -4.258  -3.530
   
  No H/Q in entry =         583
  Start of MODEL   15
    1    H    MET   1           HN       MET   1  55.667  -9.766 -10.579
    2    HA   MET   1           HA       MET   1  55.763 -10.243  -7.707
    3   1HB   MET   1           HB2      MET   1  57.576  -8.938  -9.704
    4   2HB   MET   1           HB1      MET   1  57.841  -8.705  -7.975
    5   1HG   MET   1           HG2      MET   1  59.045 -10.635  -8.152
    6   2HG   MET   1           HG1      MET   1  57.458 -11.399  -8.055
    7   1HE   MET   1           HE3      MET   1  56.320 -12.382  -9.379
    8   2HE   MET   1           HE2      MET   1  56.304 -12.418 -11.140
    9   3HE   MET   1           HE1      MET   1  57.292 -13.575 -10.251
   10    H    LEU   2           HN       LEU   2  53.606  -8.910  -7.541
   11    HA   LEU   2           HA       LEU   2  53.865  -6.021  -7.654
   12   1HB   LEU   2           HB2      LEU   2  51.681  -7.378  -7.717
   13   2HB   LEU   2           HB1      LEU   2  51.880  -7.571  -5.977
   14    HG   LEU   2           HG       LEU   2  52.202  -4.954  -6.026
   15   1HD1  LEU   2           HD13     LEU   2  51.159  -5.640  -8.716
   16   2HD1  LEU   2           HD12     LEU   2  50.350  -4.300  -7.901
   17   3HD1  LEU   2           HD11     LEU   2  52.089  -4.236  -8.193
   18   1HD2  LEU   2           HD22     LEU   2  49.618  -6.505  -6.248
   19   2HD2  LEU   2           HD21     LEU   2  50.391  -5.870  -4.796
   20   3HD2  LEU   2           HD23     LEU   2  49.624  -4.768  -5.940
   21    H    GLN   3           HN       GLN   3  55.550  -8.048  -5.805
   22    HA   GLN   3           HA       GLN   3  56.308  -6.146  -3.845
   23   1HB   GLN   3           HB2      GLN   3  55.191  -6.910  -1.852
   24   2HB   GLN   3           HB1      GLN   3  53.938  -6.625  -3.059
   25   1HG   GLN   3           HG2      GLN   3  54.826  -9.293  -3.427
   26   2HG   GLN   3           HG1      GLN   3  54.577  -9.071  -1.695
   27   1HE2  GLN   3           HE22     GLN   3  51.087  -9.267  -2.029
   28   2HE2  GLN   3           HE21     GLN   3  52.462  -9.481  -1.056
   29    H    LYS   4           HN       LYS   4  57.925  -7.674  -5.288
   30    HA   LYS   4           HA       LYS   4  58.559 -10.143  -3.791
   31   1HB   LYS   4           HB2      LYS   4  58.632  -9.655  -6.444
   32   2HB   LYS   4           HB1      LYS   4  60.295  -9.237  -6.028
   33   1HG   LYS   4           HG2      LYS   4  59.061 -11.789  -5.010
   34   2HG   LYS   4           HG1      LYS   4  59.758 -11.714  -6.628
   35   1HD   LYS   4           HD2      LYS   4  61.627 -12.351  -5.416
   36   2HD   LYS   4           HD1      LYS   4  61.790 -10.598  -5.333
   37   1HE   LYS   4           HE2      LYS   4  61.877 -10.904  -3.086
   38   2HE   LYS   4           HE1      LYS   4  60.130 -11.119  -3.197
   39   1HZ   LYS   4           HZ2      LYS   4  62.005 -13.369  -3.598
   40   2HZ   LYS   4           HZ1      LYS   4  61.452 -12.935  -2.052
   41   3HZ   LYS   4           HZ3      LYS   4  60.346 -13.428  -3.239
   42    H    LYS   5           HN       LYS   5  60.393  -7.271  -4.945
   43    HA   LYS   5           HA       LYS   5  62.517  -7.823  -3.057
   44   1HB   LYS   5           HB2      LYS   5  63.400  -6.711  -4.871
   45   2HB   LYS   5           HB1      LYS   5  61.932  -5.775  -5.140
   46   1HG   LYS   5           HG2      LYS   5  63.696  -4.294  -4.365
   47   2HG   LYS   5           HG1      LYS   5  62.463  -4.432  -3.120
   48   1HD   LYS   5           HD2      LYS   5  63.944  -6.363  -2.196
   49   2HD   LYS   5           HD1      LYS   5  65.209  -5.659  -3.201
   50   1HE   LYS   5           HE2      LYS   5  63.627  -3.874  -1.381
   51   2HE   LYS   5           HE1      LYS   5  64.926  -4.858  -0.708
   52   1HZ   LYS   5           HZ1      LYS   5  65.524  -3.394  -3.152
   53   2HZ   LYS   5           HZ3      LYS   5  65.331  -2.465  -1.747
   54   3HZ   LYS   5           HZ2      LYS   5  66.503  -3.695  -1.795
   55    H    ILE   6           HN       ILE   6  59.465  -6.415  -2.817
   56    HA   ILE   6           HA       ILE   6  60.262  -4.683  -0.533
   57    HB   ILE   6           HB       ILE   6  57.504  -4.995  -1.733
   58   1HG1  ILE   6           HG12     ILE   6  59.419  -4.394  -3.367
   59   2HG1  ILE   6           HG11     ILE   6  58.014  -3.324  -3.329
   60   1HG2  ILE   6           HG22     ILE   6  58.680  -3.450   0.406
   61   2HG2  ILE   6           HG21     ILE   6  58.060  -2.368  -0.839
   62   3HG2  ILE   6           HG23     ILE   6  56.989  -3.548  -0.084
   63   1HD1  ILE   6           HD13     ILE   6  60.364  -2.777  -1.535
   64   2HD1  ILE   6           HD12     ILE   6  60.421  -2.288  -3.228
   65   3HD1  ILE   6           HD11     ILE   6  59.165  -1.648  -2.168
   66    H    GLU   7           HN       GLU   7  58.351  -7.537  -1.369
   67    HA   GLU   7           HA       GLU   7  57.292  -7.893   1.315
   68   1HB   GLU   7           HB2      GLU   7  56.167  -8.916  -0.628
   69   2HB   GLU   7           HB1      GLU   7  57.609  -9.873  -0.967
   70   1HG   GLU   7           HG2      GLU   7  56.203 -11.345   0.245
   71   2HG   GLU   7           HG1      GLU   7  57.363 -10.764   1.440
   72    H    GLU   8           HN       GLU   8  60.248  -8.533  -0.334
   73    HA   GLU   8           HA       GLU   8  61.180 -10.603   1.484
   74   1HB   GLU   8           HB2      GLU   8  63.234 -10.491   0.278
   75   2HB   GLU   8           HB1      GLU   8  61.980 -10.198  -0.925
   76   1HG   GLU   8           HG2      GLU   8  62.363  -7.800  -0.846
   77   2HG   GLU   8           HG1      GLU   8  63.466  -7.991   0.528
   78    H    ILE   9           HN       ILE   9  61.645  -7.097   1.131
   79    HA   ILE   9           HA       ILE   9  63.428  -6.932   3.431
   80    HB   ILE   9           HB       ILE   9  63.597  -5.248   1.667
   81   1HG1  ILE   9           HG12     ILE   9  63.666  -3.300   3.055
   82   2HG1  ILE   9           HG11     ILE   9  62.380  -3.912   4.093
   83   1HG2  ILE   9           HG22     ILE   9  61.239  -5.301   0.941
   84   2HG2  ILE   9           HG21     ILE   9  60.760  -4.523   2.449
   85   3HG2  ILE   9           HG23     ILE   9  61.760  -3.653   1.286
   86   1HD1  ILE   9           HD13     ILE   9  64.748  -5.671   3.868
   87   2HD1  ILE   9           HD12     ILE   9  65.030  -4.135   4.687
   88   3HD1  ILE   9           HD11     ILE   9  63.796  -5.241   5.288
   89    H    ALA  10           HN       ALA  10  60.026  -6.918   2.867
   90    HA   ALA  10           HA       ALA  10  59.284  -5.662   5.388
   91   1HB   ALA  10           HB1      ALA  10  57.847  -5.811   3.281
   92   2HB   ALA  10           HB3      ALA  10  57.588  -7.504   3.702
   93   3HB   ALA  10           HB2      ALA  10  57.045  -6.230   4.795
   94    H    ALA  11           HN       ALA  11  59.465  -8.959   4.115
   95    HA   ALA  11           HA       ALA  11  58.659 -10.222   6.590
   96   1HB   ALA  11           HB2      ALA  11  60.099 -11.278   4.143
   97   2HB   ALA  11           HB1      ALA  11  59.536 -12.291   5.473
   98   3HB   ALA  11           HB3      ALA  11  58.374 -11.402   4.487
   99    H    LYS  12           HN       LYS  12  61.714  -9.184   5.172
  100    HA   LYS  12           HA       LYS  12  63.201 -10.617   7.293
  101   1HB   LYS  12           HB2      LYS  12  65.183 -10.060   6.137
  102   2HB   LYS  12           HB1      LYS  12  64.008 -10.349   4.856
  103   1HG   LYS  12           HG2      LYS  12  64.440  -8.292   4.075
  104   2HG   LYS  12           HG1      LYS  12  63.739  -7.626   5.552
  105   1HD   LYS  12           HD2      LYS  12  65.915  -6.714   5.519
  106   2HD   LYS  12           HD1      LYS  12  66.068  -8.096   6.604
  107   1HE   LYS  12           HE2      LYS  12  67.265  -9.348   5.071
  108   2HE   LYS  12           HE1      LYS  12  66.528  -8.547   3.685
  109   1HZ   LYS  12           HZ1      LYS  12  67.869  -6.569   5.032
  110   2HZ   LYS  12           HZ3      LYS  12  68.923  -7.897   5.075
  111   3HZ   LYS  12           HZ2      LYS  12  68.353  -7.316   3.585
  112    H    TYR  13           HN       TYR  13  61.460  -8.812   8.385
  113    HA   TYR  13           HA       TYR  13  63.222  -6.546   9.217
  114   1HB   TYR  13           HB2      TYR  13  60.253  -6.833   8.951
  115   2HB   TYR  13           HB1      TYR  13  60.886  -5.763  10.198
  116    HD1  TYR  13           HD1      TYR  13  63.330  -4.690   8.985
  117    HD2  TYR  13           HD2      TYR  13  59.486  -5.438   7.228
  118    HE1  TYR  13           HE1      TYR  13  63.777  -2.953   7.273
  119    HE2  TYR  13           HE2      TYR  13  59.932  -3.705   5.516
  120    HH   TYR  13           HH       TYR  13  63.043  -2.329   5.055
  121    H    LYS  14           HN       LYS  14  63.617  -6.274  11.413
  122    HA   LYS  14           HA       LYS  14  63.134  -8.634  13.103
  123   1HB   LYS  14           HB2      LYS  14  65.181  -6.747  12.928
  124   2HB   LYS  14           HB1      LYS  14  64.354  -6.339  14.432
  125   1HG   LYS  14           HG2      LYS  14  65.404  -8.062  15.427
  126   2HG   LYS  14           HG1      LYS  14  64.530  -9.164  14.362
  127   1HD   LYS  14           HD2      LYS  14  66.399  -9.620  13.194
  128   2HD   LYS  14           HD1      LYS  14  66.714  -7.903  12.938
  129   1HE   LYS  14           HE2      LYS  14  67.253  -8.994  15.660
  130   2HE   LYS  14           HE1      LYS  14  68.372  -9.445  14.373
  131   1HZ   LYS  14           HZ2      LYS  14  67.567  -6.656  14.994
  132   2HZ   LYS  14           HZ1      LYS  14  68.998  -7.384  15.546
  133   3HZ   LYS  14           HZ3      LYS  14  68.754  -7.150  13.884
  134    H    HIS  15           HN       HIS  15  60.755  -7.240  12.422
  135    HA   HIS  15           HA       HIS  15  59.590  -6.861  15.014
  136   1HB   HIS  15           HB2      HIS  15  60.910  -4.567  13.939
  137   2HB   HIS  15           HB1      HIS  15  59.174  -4.281  13.838
  138    HD1  HIS  15           HD1      HIS  15  61.886  -3.929  16.139
  139    HD2  HIS  15           HD2      HIS  15  57.887  -5.043  16.517
  140    HE1  HIS  15           HE1      HIS  15  61.287  -3.631  18.581
  141    H    SER  16           HN       SER  16  57.743  -7.939  14.431
  142    HA   SER  16           HA       SER  16  56.535  -8.213  11.975
  143   1HB   SER  16           HB2      SER  16  55.575  -9.361  13.828
  144   2HB   SER  16           HB1      SER  16  55.247  -7.858  14.685
  145    HG   SER  16           HG       SER  16  53.354  -8.543  13.730
  146    H    VAL  17           HN       VAL  17  56.107  -5.340  14.099
  147    HA   VAL  17           HA       VAL  17  54.115  -4.066  12.530
  148    HB   VAL  17           HB       VAL  17  56.278  -2.726  14.172
  149   1HG1  VAL  17           HG11     VAL  17  53.468  -1.882  13.393
  150   2HG1  VAL  17           HG13     VAL  17  54.554  -0.971  14.442
  151   3HG1  VAL  17           HG12     VAL  17  54.963  -1.207  12.743
  152   1HG2  VAL  17           HG22     VAL  17  53.780  -4.215  14.902
  153   2HG2  VAL  17           HG21     VAL  17  55.333  -4.164  15.735
  154   3HG2  VAL  17           HG23     VAL  17  54.225  -2.798  15.853
  155    H    VAL  18           HN       VAL  18  57.677  -3.911  12.301
  156    HA   VAL  18           HA       VAL  18  57.910  -1.831  10.418
  157    HB   VAL  18           HB       VAL  18  59.512  -4.385  10.195
  158   1HG1  VAL  18           HG12     VAL  18  59.750  -2.302   8.664
  159   2HG1  VAL  18           HG11     VAL  18  60.501  -1.555  10.074
  160   3HG1  VAL  18           HG13     VAL  18  61.208  -3.003   9.364
  161   1HG2  VAL  18           HG22     VAL  18  59.152  -2.923  12.580
  162   2HG2  VAL  18           HG21     VAL  18  60.391  -4.128  12.236
  163   3HG2  VAL  18           HG23     VAL  18  60.715  -2.427  11.938
  164    H    LYS  19           HN       LYS  19  56.549  -4.995  10.099
  165    HA   LYS  19           HA       LYS  19  56.774  -5.360   7.285
  166   1HB   LYS  19           HB2      LYS  19  55.932  -7.037   9.025
  167   2HB   LYS  19           HB1      LYS  19  54.387  -6.189   8.949
  168   1HG   LYS  19           HG2      LYS  19  53.865  -7.442   7.153
  169   2HG   LYS  19           HG1      LYS  19  55.144  -6.609   6.269
  170   1HD   LYS  19           HD2      LYS  19  56.508  -8.412   6.339
  171   2HD   LYS  19           HD1      LYS  19  56.172  -8.696   8.048
  172   1HE   LYS  19           HE2      LYS  19  55.159 -10.573   7.182
  173   2HE   LYS  19           HE1      LYS  19  53.802  -9.453   7.049
  174   1HZ   LYS  19           HZ2      LYS  19  55.744  -9.615   4.852
  175   2HZ   LYS  19           HZ1      LYS  19  54.568 -10.833   5.001
  176   3HZ   LYS  19           HZ3      LYS  19  54.094  -9.216   4.806
  177    H    LYS  20           HN       LYS  20  54.142  -3.870   9.214
  178    HA   LYS  20           HA       LYS  20  52.555  -3.078   6.976
  179   1HB   LYS  20           HB2      LYS  20  51.504  -3.020   9.107
  180   2HB   LYS  20           HB1      LYS  20  52.786  -2.027   9.795
  181   1HG   LYS  20           HG2      LYS  20  51.677  -0.156   9.212
  182   2HG   LYS  20           HG1      LYS  20  51.693  -0.650   7.518
  183   1HD   LYS  20           HD2      LYS  20  49.382  -0.339   8.313
  184   2HD   LYS  20           HD1      LYS  20  49.677  -2.030   7.908
  185   1HE   LYS  20           HE2      LYS  20  48.853  -2.468   9.977
  186   2HE   LYS  20           HE1      LYS  20  50.434  -1.939  10.550
  187   1HZ   LYS  20           HZ3      LYS  20  48.289   0.019  10.044
  188   2HZ   LYS  20           HZ2      LYS  20  48.347  -0.835  11.513
  189   3HZ   LYS  20           HZ1      LYS  20  49.644   0.161  11.053
  190    H    CYS  21           HN       CYS  21  54.998  -1.314   8.865
  191    HA   CYS  21           HA       CYS  21  54.922   1.178   7.618
  192   1HB   CYS  21           HB2      CYS  21  57.258  -0.440   8.658
  193   2HB   CYS  21           HB1      CYS  21  57.434   1.222   8.102
  194    H    CYS  22           HN       CYS  22  56.823  -1.657   6.588
  195    HA   CYS  22           HA       CYS  22  57.750  -0.400   4.156
  196   1HB   CYS  22           HB2      CYS  22  59.083  -2.192   4.933
  197   2HB   CYS  22           HB1      CYS  22  57.689  -3.241   5.181
  198    H    TYR  23           HN       TYR  23  54.890  -2.139   5.123
  199    HA   TYR  23           HA       TYR  23  53.953  -3.001   2.595
  200   1HB   TYR  23           HB2      TYR  23  52.867  -2.650   5.227
  201   2HB   TYR  23           HB1      TYR  23  51.718  -2.057   4.044
  202    HD1  TYR  23           HD2      TYR  23  51.386  -3.559   1.909
  203    HD2  TYR  23           HD1      TYR  23  52.948  -4.896   5.669
  204    HE1  TYR  23           HE2      TYR  23  50.792  -5.895   1.318
  205    HE2  TYR  23           HE1      TYR  23  52.362  -7.197   5.083
  206    HH   TYR  23           HH       TYR  23  51.320  -8.122   1.900
  207    H    ASP  24           HN       ASP  24  53.311   0.057   4.335
  208    HA   ASP  24           HA       ASP  24  51.980   1.290   2.088
  209   1HB   ASP  24           HB2      ASP  24  53.426   2.821   4.245
  210   2HB   ASP  24           HB1      ASP  24  51.954   3.264   3.385
  211    H    GLY  25           HN       GLY  25  55.306   1.448   3.372
  212   1HA   GLY  25           HA2      GLY  25  56.497   3.327   1.749
  213   2HA   GLY  25           HA1      GLY  25  57.305   1.807   2.152
  214    H    ALA  26           HN       ALA  26  56.056  -0.104   0.783
  215    HA   ALA  26           HA       ALA  26  56.750   0.390  -1.974
  216   1HB   ALA  26           HB2      ALA  26  56.186  -1.869  -0.367
  217   2HB   ALA  26           HB1      ALA  26  54.988  -1.879  -1.663
  218   3HB   ALA  26           HB3      ALA  26  56.709  -1.863  -2.052
  219    H    CYS  27           HN       CYS  27  53.743   0.418  -0.128
  220    HA   CYS  27           HA       CYS  27  52.120   0.778  -2.564
  221   1HB   CYS  27           HB2      CYS  27  51.521   0.602   0.384
  222   2HB   CYS  27           HB1      CYS  27  50.295   1.168  -0.751
  223    HG   CYS  27           HG       CYS  27  50.955  -1.229  -2.050
  224    H    VAL  28           HN       VAL  28  54.228   2.738  -1.356
  225    HA   VAL  28           HA       VAL  28  53.511   5.075  -0.322
  226    HB   VAL  28           HB       VAL  28  55.614   5.148  -1.300
  227   1HG1  VAL  28           HG11     VAL  28  54.251   3.749  -3.508
  228   2HG1  VAL  28           HG13     VAL  28  55.571   4.807  -4.001
  229   3HG1  VAL  28           HG12     VAL  28  55.867   3.510  -2.844
  230   1HG2  VAL  28           HG22     VAL  28  53.949   7.167  -2.018
  231   2HG2  VAL  28           HG21     VAL  28  55.657   7.135  -2.456
  232   3HG2  VAL  28           HG23     VAL  28  54.439   6.604  -3.616
  233    H    ASN  29           HN       ASN  29  52.207   6.862  -0.731
  234    HA   ASN  29           HA       ASN  29  49.725   6.681  -1.848
  235   1HB   ASN  29           HB2      ASN  29  51.606   8.994  -1.579
  236   2HB   ASN  29           HB1      ASN  29  50.100   9.232  -2.466
  237   1HD2  ASN  29           HD22     ASN  29  49.155  10.000   0.988
  238   2HD2  ASN  29           HD21     ASN  29  49.987  10.722  -0.303
  239    H    ASN  30           HN       ASN  30  51.640   8.874  -3.789
  240    HA   ASN  30           HA       ASN  30  51.710   7.123  -6.120
  241   1HB   ASN  30           HB2      ASN  30  49.325   7.734  -6.118
  242   2HB   ASN  30           HB1      ASN  30  49.755   9.443  -6.058
  243   1HD2  ASN  30           HD22     ASN  30  50.251   9.666  -9.532
  244   2HD2  ASN  30           HD21     ASN  30  50.078  10.472  -8.049
  245    H    ASP  31           HN       ASP  31  53.568   8.792  -4.606
  246    HA   ASP  31           HA       ASP  31  54.769  10.199  -6.857
  247   1HB   ASP  31           HB2      ASP  31  54.817  12.420  -5.725
  248   2HB   ASP  31           HB1      ASP  31  53.182  11.917  -6.152
  249    H    GLU  32           HN       GLU  32  56.918  11.042  -6.275
  250    HA   GLU  32           HA       GLU  32  58.596   9.337  -4.947
  251   1HB   GLU  32           HB2      GLU  32  58.734  12.102  -5.780
  252   2HB   GLU  32           HB1      GLU  32  59.613  11.878  -4.267
  253   1HG   GLU  32           HG2      GLU  32  60.956  10.117  -5.219
  254   2HG   GLU  32           HG1      GLU  32  59.967  10.083  -6.681
  255    H    THR  33           HN       THR  33  57.931  12.405  -3.256
  256    HA   THR  33           HA       THR  33  58.533  11.493  -0.677
  257    HB   THR  33           HB       THR  33  56.810  13.331   0.025
  258    HG1  THR  33           HG1      THR  33  55.815  14.300  -1.546
  259   1HG2  THR  33           HG21     THR  33  59.424  13.415  -0.474
  260   2HG2  THR  33           HG23     THR  33  58.889  14.417  -1.824
  261   3HG2  THR  33           HG22     THR  33  58.504  14.888  -0.169
  262    H    CYS  34           HN       CYS  34  57.650   9.357  -0.471
  263    HA   CYS  34           HA       CYS  34  54.855   8.772  -0.714
  264   1HB   CYS  34           HB2      CYS  34  55.548   6.900   1.050
  265   2HB   CYS  34           HB1      CYS  34  56.002   6.788  -0.643
  266    H    GLU  35           HN       GLU  35  56.284   8.244   2.454
  267    HA   GLU  35           HA       GLU  35  53.963   9.147   3.843
  268   1HB   GLU  35           HB2      GLU  35  56.832   8.853   4.737
  269   2HB   GLU  35           HB1      GLU  35  55.527   9.239   5.849
  270   1HG   GLU  35           HG2      GLU  35  55.183   6.904   4.017
  271   2HG   GLU  35           HG1      GLU  35  56.227   6.720   5.429
  272    H    GLN  36           HN       GLN  36  56.905  10.786   2.809
  273    HA   GLN  36           HA       GLN  36  56.627  13.236   4.185
  274   1HB   GLN  36           HB2      GLN  36  57.684  12.510   1.449
  275   2HB   GLN  36           HB1      GLN  36  57.601  14.200   1.952
  276   1HG   GLN  36           HG2      GLN  36  58.954  13.686   3.940
  277   2HG   GLN  36           HG1      GLN  36  59.021  11.988   3.466
  278   1HE2  GLN  36           HE22     GLN  36  61.228  12.657   0.659
  279   2HE2  GLN  36           HE21     GLN  36  59.899  11.687   1.078
  280    H    ARG  37           HN       ARG  37  55.067  11.966   1.275
  281    HA   ARG  37           HA       ARG  37  53.457  14.346   0.815
  282   1HB   ARG  37           HB2      ARG  37  53.797  12.849  -1.056
  283   2HB   ARG  37           HB1      ARG  37  53.196  11.473  -0.130
  284   1HG   ARG  37           HG2      ARG  37  51.539  12.504  -1.774
  285   2HG   ARG  37           HG1      ARG  37  50.966  12.336  -0.116
  286   1HD   ARG  37           HD2      ARG  37  50.388  14.560  -0.918
  287   2HD   ARG  37           HD1      ARG  37  51.646  14.709   0.308
  288    HE   ARG  37           HE       ARG  37  53.014  14.554  -2.124
  289   1HH1  ARG  37           HH21     ARG  37  50.253  16.059  -2.620
  290   2HH1  ARG  37           HH22     ARG  37  50.839  17.689  -2.627
  291   1HH2  ARG  37           HH12     ARG  37  53.931  16.865  -1.295
  292   2HH2  ARG  37           HH11     ARG  37  52.920  18.145  -1.878
  293    H    ALA  38           HN       ALA  38  53.149  11.332   2.632
  294    HA   ALA  38           HA       ALA  38  50.447  11.285   3.298
  295   1HB   ALA  38           HB1      ALA  38  52.237   9.696   4.156
  296   2HB   ALA  38           HB3      ALA  38  52.679  10.937   5.328
  297   3HB   ALA  38           HB2      ALA  38  51.076  10.209   5.376
  298    H    ALA  39           HN       ALA  39  52.853  12.794   5.425
  299    HA   ALA  39           HA       ALA  39  51.748  15.401   5.462
  300   1HB   ALA  39           HB1      ALA  39  50.169  13.446   6.925
  301   2HB   ALA  39           HB3      ALA  39  50.785  14.695   8.008
  302   3HB   ALA  39           HB2      ALA  39  49.814  15.143   6.605
  303    H    ARG  40           HN       ARG  40  52.984  12.814   7.477
  304    HA   ARG  40           HA       ARG  40  55.494  14.026   8.029
  305   1HB   ARG  40           HB2      ARG  40  53.274  14.893   9.741
  306   2HB   ARG  40           HB1      ARG  40  54.610  14.180  10.647
  307   1HG   ARG  40           HG2      ARG  40  56.102  15.696   9.108
  308   2HG   ARG  40           HG1      ARG  40  54.611  16.611   8.883
  309   1HD   ARG  40           HD2      ARG  40  55.004  17.633  10.849
  310   2HD   ARG  40           HD1      ARG  40  54.784  16.079  11.651
  311    HE   ARG  40           HE       ARG  40  57.175  15.810  11.707
  312   1HH1  ARG  40           HH21     ARG  40  58.773  16.544   9.768
  313   2HH1  ARG  40           HH22     ARG  40  59.157  18.226   9.922
  314   1HH2  ARG  40           HH12     ARG  40  56.517  18.906  12.062
  315   2HH2  ARG  40           HH11     ARG  40  57.880  19.563  11.219
  316    H    ILE  41           HN       ILE  41  56.515  12.057   8.076
  317    HA   ILE  41           HA       ILE  41  55.381   9.609   8.745
  318    HB   ILE  41           HB       ILE  41  57.702   9.890   7.813
  319   1HG1  ILE  41           HG12     ILE  41  58.578   7.925   9.061
  320   2HG1  ILE  41           HG11     ILE  41  57.325   8.165  10.275
  321   1HG2  ILE  41           HG21     ILE  41  58.205  11.569   9.808
  322   2HG2  ILE  41           HG23     ILE  41  58.682  10.087  10.635
  323   3HG2  ILE  41           HG22     ILE  41  59.485  10.558   9.137
  324   1HD1  ILE  41           HD12     ILE  41  56.597   7.924   7.365
  325   2HD1  ILE  41           HD11     ILE  41  56.846   6.481   8.349
  326   3HD1  ILE  41           HD13     ILE  41  55.588   7.639   8.783
  327    H    SER  42           HN       SER  42  54.024   9.582  10.432
  328    HA   SER  42           HA       SER  42  55.359   9.760  13.040
  329   1HB   SER  42           HB2      SER  42  53.831  11.201  13.982
  330   2HB   SER  42           HB1      SER  42  53.864  11.828  12.332
  331    HG   SER  42           HG       SER  42  52.103  10.180  12.012
  332    H    LEU  43           HN       LEU  43  55.046   7.446  11.819
  333    HA   LEU  43           HA       LEU  43  52.697   6.304  13.204
  334   1HB   LEU  43           HB2      LEU  43  54.188   5.330  10.752
  335   2HB   LEU  43           HB1      LEU  43  53.004   4.343  11.610
  336    HG   LEU  43           HG       LEU  43  51.850   6.920  11.175
  337   1HD1  LEU  43           HD13     LEU  43  53.119   5.648   8.734
  338   2HD1  LEU  43           HD12     LEU  43  51.838   6.859   8.656
  339   3HD1  LEU  43           HD11     LEU  43  53.404   7.274   9.355
  340   1HD2  LEU  43           HD22     LEU  43  50.988   4.385  11.274
  341   2HD2  LEU  43           HD21     LEU  43  50.071   5.640  10.440
  342   3HD2  LEU  43           HD23     LEU  43  51.104   4.545   9.522
  343    H    GLY  44           HN       GLY  44  56.031   6.632  13.242
  344   1HA   GLY  44           HA2      GLY  44  56.708   5.437  15.547
  345   2HA   GLY  44           HA1      GLY  44  56.529   4.008  14.529
  346    HA   PRO  45           HA       PRO  45  60.864   5.824  13.940
  347   1HB   PRO  45           HB2      PRO  45  62.211   3.949  15.366
  348   2HB   PRO  45           HB1      PRO  45  61.552   5.417  16.096
  349   1HG   PRO  45           HG2      PRO  45  60.597   2.632  16.314
  350   2HG   PRO  45           HG1      PRO  45  60.447   3.972  17.459
  351   1HD   PRO  45           HD2      PRO  45  58.443   3.018  15.751
  352   2HD   PRO  45           HD1      PRO  45  58.400   4.525  16.666
  353    H    ARG  46           HN       ARG  46  60.434   2.289  14.405
  354    HA   ARG  46           HA       ARG  46  62.091   1.423  12.336
  355   1HB   ARG  46           HB2      ARG  46  60.972  -0.652  12.445
  356   2HB   ARG  46           HB1      ARG  46  60.710   0.044  14.041
  357   1HG   ARG  46           HG2      ARG  46  58.723   0.367  11.779
  358   2HG   ARG  46           HG1      ARG  46  58.650  -0.963  12.931
  359   1HD   ARG  46           HD2      ARG  46  58.669   1.957  13.737
  360   2HD   ARG  46           HD1      ARG  46  57.208   0.996  13.557
  361    HE   ARG  46           HE       ARG  46  59.027   0.889  15.802
  362   1HH1  ARG  46           HH12     ARG  46  59.519  -1.754  15.637
  363   2HH1  ARG  46           HH11     ARG  46  58.059  -2.602  16.020
  364   1HH2  ARG  46           HH21     ARG  46  56.012   0.148  15.498
  365   2HH2  ARG  46           HH22     ARG  46  56.072  -1.525  15.941
  366    H    CYS  47           HN       CYS  47  58.979   2.931  12.166
  367    HA   CYS  47           HA       CYS  47  58.267   2.238   9.463
  368   1HB   CYS  47           HB2      CYS  47  57.235   3.862  11.574
  369   2HB   CYS  47           HB1      CYS  47  57.367   4.883  10.139
  370    H    ILE  48           HN       ILE  48  59.775   5.208  10.785
  371    HA   ILE  48           HA       ILE  48  60.132   6.730   8.567
  372    HB   ILE  48           HB       ILE  48  62.613   6.199  10.176
  373   1HG1  ILE  48           HG12     ILE  48  60.939   6.148  11.905
  374   2HG1  ILE  48           HG11     ILE  48  61.615   7.774  11.911
  375   1HG2  ILE  48           HG21     ILE  48  61.701   8.156   8.359
  376   2HG2  ILE  48           HG23     ILE  48  61.702   8.928   9.945
  377   3HG2  ILE  48           HG22     ILE  48  63.180   8.199   9.319
  378   1HD1  ILE  48           HD13     ILE  48  59.723   8.544  10.505
  379   2HD1  ILE  48           HD12     ILE  48  59.035   6.922  10.569
  380   3HD1  ILE  48           HD11     ILE  48  59.171   7.880  12.042
  381    H    LYS  49           HN       LYS  49  62.668   4.318   9.388
  382    HA   LYS  49           HA       LYS  49  63.652   4.415   6.638
  383   1HB   LYS  49           HB2      LYS  49  64.556   3.319   9.214
  384   2HB   LYS  49           HB1      LYS  49  64.987   2.334   7.815
  385   1HG   LYS  49           HG2      LYS  49  65.449   5.031   7.076
  386   2HG   LYS  49           HG1      LYS  49  66.147   4.822   8.683
  387   1HD   LYS  49           HD2      LYS  49  67.850   3.611   7.849
  388   2HD   LYS  49           HD1      LYS  49  66.729   2.517   7.038
  389   1HE   LYS  49           HE2      LYS  49  66.867   5.123   5.726
  390   2HE   LYS  49           HE1      LYS  49  68.437   4.320   5.782
  391   1HZ   LYS  49           HZ2      LYS  49  67.327   2.309   4.904
  392   2HZ   LYS  49           HZ1      LYS  49  65.903   3.214   4.706
  393   3HZ   LYS  49           HZ3      LYS  49  67.294   3.621   3.826
  394    H    ALA  50           HN       ALA  50  61.391   2.400   8.362
  395    HA   ALA  50           HA       ALA  50  61.769   0.076   6.686
  396   1HB   ALA  50           HB3      ALA  50  59.388   0.951   8.356
  397   2HB   ALA  50           HB2      ALA  50  59.542  -0.624   7.578
  398   3HB   ALA  50           HB1      ALA  50  60.659  -0.162   8.862
  399    H    PHE  51           HN       PHE  51  59.085   2.383   6.905
  400    HA   PHE  51           HA       PHE  51  58.034   1.777   4.375
  401   1HB   PHE  51           HB2      PHE  51  56.488   3.409   4.817
  402   2HB   PHE  51           HB1      PHE  51  57.136   3.269   6.443
  403    HD1  PHE  51           HD2      PHE  51  57.566   5.176   3.233
  404    HD2  PHE  51           HD1      PHE  51  58.129   5.132   7.476
  405    HE1  PHE  51           HE2      PHE  51  58.317   7.542   3.177
  406    HE2  PHE  51           HE1      PHE  51  58.885   7.473   7.410
  407    HZ   PHE  51           HZ       PHE  51  58.969   8.684   5.278
  408    H    THR  52           HN       THR  52  60.197   4.433   5.404
  409    HA   THR  52           HA       THR  52  60.413   5.671   2.888
  410    HB   THR  52           HB       THR  52  62.520   5.386   5.046
  411    HG1  THR  52           HG1      THR  52  61.754   7.666   5.282
  412   1HG2  THR  52           HG22     THR  52  62.647   6.512   2.376
  413   2HG2  THR  52           HG21     THR  52  62.912   7.754   3.600
  414   3HG2  THR  52           HG23     THR  52  63.933   6.318   3.567
  415    H    GLU  53           HN       GLU  53  62.182   2.928   4.188
  416    HA   GLU  53           HA       GLU  53  64.030   2.623   2.035
  417   1HB   GLU  53           HB2      GLU  53  64.496   1.639   4.184
  418   2HB   GLU  53           HB1      GLU  53  63.011   0.695   4.097
  419   1HG   GLU  53           HG2      GLU  53  65.018  -0.657   3.509
  420   2HG   GLU  53           HG1      GLU  53  63.862  -0.552   2.180
  421    H    CYS  54           HN       CYS  54  60.844   1.185   2.673
  422    HA   CYS  54           HA       CYS  54  61.028  -0.565   0.340
  423   1HB   CYS  54           HB2      CYS  54  58.992   0.018   2.444
  424   2HB   CYS  54           HB1      CYS  54  58.451  -0.728   0.938
  425    H    CYS  55           HN       CYS  55  59.861   2.604   1.051
  426    HA   CYS  55           HA       CYS  55  58.256   2.809  -1.397
  427   1HB   CYS  55           HB2      CYS  55  57.276   4.294   0.022
  428   2HB   CYS  55           HB1      CYS  55  58.686   4.341   1.065
  429    H    VAL  56           HN       VAL  56  61.457   3.615  -0.239
  430    HA   VAL  56           HA       VAL  56  62.163   5.196  -2.599
  431    HB   VAL  56           HB       VAL  56  63.931   3.898  -0.488
  432   1HG1  VAL  56           HG12     VAL  56  64.461   5.965  -2.630
  433   2HG1  VAL  56           HG11     VAL  56  65.557   5.665  -1.280
  434   3HG1  VAL  56           HG13     VAL  56  65.222   4.384  -2.446
  435   1HG2  VAL  56           HG22     VAL  56  62.111   5.836   0.010
  436   2HG2  VAL  56           HG21     VAL  56  63.660   5.733   0.847
  437   3HG2  VAL  56           HG23     VAL  56  63.467   6.832  -0.520
  438    H    VAL  57           HN       VAL  57  62.760   1.906  -1.397
  439    HA   VAL  57           HA       VAL  57  64.337   1.106  -3.664
  440    HB   VAL  57           HB       VAL  57  63.833  -1.182  -2.938
  441   1HG1  VAL  57           HG12     VAL  57  64.551   0.908  -0.926
  442   2HG1  VAL  57           HG11     VAL  57  64.276  -0.733  -0.341
  443   3HG1  VAL  57           HG13     VAL  57  65.523  -0.426  -1.549
  444   1HG2  VAL  57           HG22     VAL  57  61.792   0.189  -1.170
  445   2HG2  VAL  57           HG21     VAL  57  61.462  -0.932  -2.489
  446   3HG2  VAL  57           HG23     VAL  57  62.249  -1.509  -1.019
  447    H    ALA  58           HN       ALA  58  60.936   1.075  -2.764
  448    HA   ALA  58           HA       ALA  58  59.965  -0.124  -5.195
  449   1HB   ALA  58           HB3      ALA  58  58.655   1.752  -3.198
  450   2HB   ALA  58           HB2      ALA  58  57.791   0.929  -4.497
  451   3HB   ALA  58           HB1      ALA  58  58.539  -0.008  -3.203
  452    H    SER  59           HN       SER  59  61.095   2.965  -4.220
  453    HA   SER  59           HA       SER  59  59.855   4.585  -6.231
  454   1HB   SER  59           HB2      SER  59  61.083   5.250  -4.050
  455   2HB   SER  59           HB1      SER  59  62.525   5.213  -5.058
  456    HG   SER  59           HG       SER  59  60.157   6.727  -5.475
  457    H    GLN  60           HN       GLN  60  62.975   2.937  -6.008
  458    HA   GLN  60           HA       GLN  60  63.829   3.807  -8.667
  459   1HB   GLN  60           HB2      GLN  60  65.015   2.610  -6.348
  460   2HB   GLN  60           HB1      GLN  60  65.339   1.589  -7.751
  461   1HG   GLN  60           HG2      GLN  60  66.573   3.221  -8.822
  462   2HG   GLN  60           HG1      GLN  60  65.645   4.534  -8.090
  463   1HE2  GLN  60           HE22     GLN  60  67.531   4.199  -4.929
  464   2HE2  GLN  60           HE21     GLN  60  65.904   4.236  -5.410
  465    H    LEU  61           HN       LEU  61  62.162   1.141  -7.242
  466    HA   LEU  61           HA       LEU  61  62.592  -0.702  -9.445
  467   1HB   LEU  61           HB2      LEU  61  60.745  -0.624  -7.060
  468   2HB   LEU  61           HB1      LEU  61  60.661  -1.914  -8.249
  469    HG   LEU  61           HG       LEU  61  62.946  -1.199  -6.446
  470   1HD1  LEU  61           HD11     LEU  61  60.971  -3.391  -6.688
  471   2HD1  LEU  61           HD13     LEU  61  62.622  -3.892  -6.324
  472   3HD1  LEU  61           HD12     LEU  61  61.786  -2.766  -5.255
  473   1HD2  LEU  61           HD22     LEU  61  62.912  -2.759  -9.013
  474   2HD2  LEU  61           HD21     LEU  61  64.120  -1.612  -8.430
  475   3HD2  LEU  61           HD23     LEU  61  64.021  -3.226  -7.725
  476    H    ARG  62           HN       ARG  62  60.234   1.713  -8.487
  477    HA   ARG  62           HA       ARG  62  58.617   1.072 -10.884
  478   1HB   ARG  62           HB2      ARG  62  56.811   2.202  -9.898
  479   2HB   ARG  62           HB1      ARG  62  57.592   1.415  -8.531
  480   1HG   ARG  62           HG2      ARG  62  58.688   3.467  -7.884
  481   2HG   ARG  62           HG1      ARG  62  58.164   4.273  -9.363
  482   1HD   ARG  62           HD2      ARG  62  56.264   4.900  -8.336
  483   2HD   ARG  62           HD1      ARG  62  55.836   3.205  -8.129
  484    HE   ARG  62           HE       ARG  62  56.433   3.399  -5.856
  485   1HH1  ARG  62           HH12     ARG  62  56.878   6.369  -7.408
  486   2HH1  ARG  62           HH11     ARG  62  57.926   7.029  -6.200
  487   1HH2  ARG  62           HH21     ARG  62  58.193   4.064  -4.425
  488   2HH2  ARG  62           HH22     ARG  62  58.672   5.726  -4.514
  489    H    ALA  63           HN       ALA  63  61.064   3.262  -9.904
  490    HA   ALA  63           HA       ALA  63  60.146   5.308 -11.857
  491   1HB   ALA  63           HB3      ALA  63  60.890   6.047  -9.584
  492   2HB   ALA  63           HB2      ALA  63  62.493   5.404  -9.940
  493   3HB   ALA  63           HB1      ALA  63  61.853   6.747 -10.885
  494    H    ASN  64           HN       ASN  64  61.470   2.538 -12.358
  495    HA   ASN  64           HA       ASN  64  63.545   3.614 -14.219
  496   1HB   ASN  64           HB2      ASN  64  64.062   2.005 -11.986
  497   2HB   ASN  64           HB1      ASN  64  64.108   0.893 -13.356
  498   1HD2  ASN  64           HD22     ASN  64  67.495   2.032 -13.588
  499   2HD2  ASN  64           HD21     ASN  64  66.509   0.780 -13.003
  500    H    ILE  65           HN       ILE  65  61.185   1.063 -13.510
  501    HA   ILE  65           HA       ILE  65  61.266   0.336 -16.411
  502    HB   ILE  65           HB       ILE  65  59.931  -1.444 -14.416
  503   1HG1  ILE  65           HG12     ILE  65  62.501  -2.423 -14.457
  504   2HG1  ILE  65           HG11     ILE  65  62.782  -0.684 -14.360
  505   1HG2  ILE  65           HG21     ILE  65  60.460  -1.587 -17.096
  506   2HG2  ILE  65           HG23     ILE  65  61.840  -2.458 -16.430
  507   3HG2  ILE  65           HG22     ILE  65  60.199  -2.993 -16.064
  508   1HD1  ILE  65           HD13     ILE  65  60.633  -1.409 -12.583
  509   2HD1  ILE  65           HD12     ILE  65  62.039  -2.422 -12.253
  510   3HD1  ILE  65           HD11     ILE  65  62.184  -0.666 -12.192
  511    H    SER  66           HN       SER  66  58.727  -1.122 -16.168
  512    HA   SER  66           HA       SER  66  56.607   0.509 -15.210
  513   1HB   SER  66           HB2      SER  66  57.826   1.796 -17.286
  514   2HB   SER  66           HB1      SER  66  56.616   0.856 -18.150
  515    HG   SER  66           HG       SER  66  56.306   3.063 -16.661
  516    H    HIS  67           HN       HIS  67  57.359  -2.284 -15.558
  517    HA   HIS  67           HA       HIS  67  54.895  -3.207 -16.944
  518   1HB   HIS  67           HB2      HIS  67  57.333  -3.387 -18.179
  519   2HB   HIS  67           HB1      HIS  67  57.248  -4.940 -17.350
  520    HD1  HIS  67           HD1      HIS  67  56.984  -4.634 -20.482
  521    HD2  HIS  67           HD2      HIS  67  53.783  -4.967 -17.832
  522    HE1  HIS  67           HE1      HIS  67  55.023  -5.495 -21.833
  523    H    LYS  68           HN       LYS  68  55.942  -6.023 -16.586
  524    HA   LYS  68           HA       LYS  68  54.729  -6.735 -14.204
  525   1HB   LYS  68           HB2      LYS  68  57.272  -7.987 -15.286
  526   2HB   LYS  68           HB1      LYS  68  56.113  -8.756 -14.202
  527   1HG   LYS  68           HG2      LYS  68  54.710  -7.705 -16.479
  528   2HG   LYS  68           HG1      LYS  68  56.053  -8.701 -17.039
  529   1HD   LYS  68           HD2      LYS  68  55.285 -10.604 -15.843
  530   2HD   LYS  68           HD1      LYS  68  54.178  -9.639 -14.866
  531   1HE   LYS  68           HE2      LYS  68  52.619 -10.336 -16.375
  532   2HE   LYS  68           HE1      LYS  68  53.290  -9.052 -17.380
  533   1HZ   LYS  68           HZ1      LYS  68  54.848 -10.689 -18.303
  534   2HZ   LYS  68           HZ3      LYS  68  54.096 -11.909 -17.397
  535   3HZ   LYS  68           HZ2      LYS  68  53.228 -11.097 -18.611
  536    H    ASP  69           HN       ASP  69  58.162  -5.846 -14.576
  537    HA   ASP  69           HA       ASP  69  58.860  -6.087 -11.840
  538   1HB   ASP  69           HB2      ASP  69  60.165  -5.366 -14.229
  539   2HB   ASP  69           HB1      ASP  69  60.315  -3.962 -13.172
  540    H    MET  70           HN       MET  70  58.091  -3.162 -13.759
  541    HA   MET  70           HA       MET  70  57.928  -1.458 -11.427
  542   1HB   MET  70           HB2      MET  70  58.409  -0.616 -13.717
  543   2HB   MET  70           HB1      MET  70  56.770  -1.052 -14.198
  544   1HG   MET  70           HG2      MET  70  57.032   0.636 -11.767
  545   2HG   MET  70           HG1      MET  70  57.405   1.410 -13.306
  546   1HE   MET  70           HE3      MET  70  55.606   2.627 -11.788
  547   2HE   MET  70           HE2      MET  70  55.062   3.136 -13.384
  548   3HE   MET  70           HE1      MET  70  53.888   2.561 -12.203
  549    H    GLN  71           HN       GLN  71  55.278  -2.164 -13.721
  550    HA   GLN  71           HA       GLN  71  53.118  -1.448 -12.180
  551   1HB   GLN  71           HB2      GLN  71  52.870  -2.333 -14.451
  552   2HB   GLN  71           HB1      GLN  71  53.328  -3.942 -13.892
  553   1HG   GLN  71           HG2      GLN  71  51.360  -4.020 -12.430
  554   2HG   GLN  71           HG1      GLN  71  50.912  -2.387 -12.923
  555   1HE2  GLN  71           HE22     GLN  71  48.929  -3.867 -15.446
  556   2HE2  GLN  71           HE21     GLN  71  48.968  -2.884 -14.063
  557    H    LEU  72           HN       LEU  72  55.003  -4.453 -11.822
  558    HA   LEU  72           HA       LEU  72  53.340  -5.122  -9.420
  559   1HB   LEU  72           HB2      LEU  72  54.411  -6.686 -11.575
  560   2HB   LEU  72           HB1      LEU  72  55.111  -7.248 -10.056
  561    HG   LEU  72           HG       LEU  72  52.841  -7.418  -9.109
  562   1HD1  LEU  72           HD11     LEU  72  52.050  -5.549 -10.707
  563   2HD1  LEU  72           HD13     LEU  72  51.819  -6.843 -11.881
  564   3HD1  LEU  72           HD12     LEU  72  50.921  -6.860 -10.362
  565   1HD2  LEU  72           HD23     LEU  72  53.881  -8.973 -11.323
  566   2HD2  LEU  72           HD22     LEU  72  52.980  -9.527  -9.913
  567   3HD2  LEU  72           HD21     LEU  72  52.118  -8.974 -11.349
  568    H    GLY  73           HN       GLY  73  56.682  -5.918 -10.282
  569   1HA   GLY  73           HA2      GLY  73  57.802  -5.965  -7.766
  570   2HA   GLY  73           HA1      GLY  73  58.695  -5.415  -9.184
  571    H    ARG  74           HN       ARG  74  56.751  -3.201  -9.598
  572    HA   ARG  74           HA       ARG  74  56.503  -0.947  -8.960
  573   1HB   ARG  74           HB2      ARG  74  57.236  -1.973  -6.200
  574   2HB   ARG  74           HB1      ARG  74  56.476  -0.426  -6.571
  575   1HG   ARG  74           HG2      ARG  74  54.818  -2.230  -7.847
  576   2HG   ARG  74           HG1      ARG  74  55.274  -3.096  -6.380
  577   1HD   ARG  74           HD2      ARG  74  53.532  -1.893  -5.497
  578   2HD   ARG  74           HD1      ARG  74  54.789  -0.669  -5.313
  579    HE   ARG  74           HE       ARG  74  53.316  -0.619  -7.868
  580   1HH1  ARG  74           HH12     ARG  74  52.985   0.222  -4.587
  581   2HH1  ARG  74           HH11     ARG  74  52.481   1.850  -4.895
  582   1HH2  ARG  74           HH21     ARG  74  52.992   1.640  -8.319
  583   2HH2  ARG  74           HH22     ARG  74  52.486   2.653  -7.008
   
  No H/Q in entry =         583
  Start of MODEL   16
    1    H    MET   1           HN       MET   1  54.907 -11.043  -9.912
    2    HA   MET   1           HA       MET   1  55.846 -10.562  -7.812
    3   1HB   MET   1           HB2      MET   1  57.753  -9.267  -9.710
    4   2HB   MET   1           HB1      MET   1  57.887  -8.934  -7.984
    5   1HG   MET   1           HG2      MET   1  59.074 -10.853  -7.840
    6   2HG   MET   1           HG1      MET   1  57.540 -11.690  -8.084
    7   1HE   MET   1           HE1      MET   1  56.664 -12.574  -9.771
    8   2HE   MET   1           HE3      MET   1  57.265 -12.864 -11.409
    9   3HE   MET   1           HE2      MET   1  57.885 -13.810 -10.059
   10    H    LEU   2           HN       LEU   2  53.645  -9.278  -7.828
   11    HA   LEU   2           HA       LEU   2  53.841  -6.393  -7.933
   12   1HB   LEU   2           HB2      LEU   2  51.717  -7.814  -8.150
   13   2HB   LEU   2           HB1      LEU   2  51.778  -7.971  -6.395
   14    HG   LEU   2           HG       LEU   2  51.984  -5.380  -6.392
   15   1HD1  LEU   2           HD13     LEU   2  51.377  -6.019  -9.233
   16   2HD1  LEU   2           HD12     LEU   2  50.482  -4.676  -8.523
   17   3HD1  LEU   2           HD11     LEU   2  52.246  -4.644  -8.549
   18   1HD2  LEU   2           HD22     LEU   2  49.454  -6.858  -7.173
   19   2HD2  LEU   2           HD21     LEU   2  50.009  -6.485  -5.542
   20   3HD2  LEU   2           HD23     LEU   2  49.469  -5.187  -6.607
   21    H    GLN   3           HN       GLN   3  55.474  -8.323  -5.942
   22    HA   GLN   3           HA       GLN   3  56.018  -6.382  -3.957
   23   1HB   GLN   3           HB2      GLN   3  54.781  -7.131  -2.043
   24   2HB   GLN   3           HB1      GLN   3  53.608  -6.950  -3.346
   25   1HG   GLN   3           HG2      GLN   3  54.416  -9.535  -3.722
   26   2HG   GLN   3           HG1      GLN   3  54.516  -9.393  -1.967
   27   1HE2  GLN   3           HE22     GLN   3  50.835  -8.863  -3.744
   28   2HE2  GLN   3           HE21     GLN   3  52.237  -8.498  -4.628
   29    H    LYS   4           HN       LYS   4  57.760  -7.932  -5.291
   30    HA   LYS   4           HA       LYS   4  58.379 -10.291  -3.606
   31   1HB   LYS   4           HB2      LYS   4  58.604  -9.808  -6.344
   32   2HB   LYS   4           HB1      LYS   4  60.265  -9.722  -5.756
   33   1HG   LYS   4           HG2      LYS   4  58.538 -11.951  -4.763
   34   2HG   LYS   4           HG1      LYS   4  59.163 -12.057  -6.410
   35   1HD   LYS   4           HD2      LYS   4  60.886 -13.065  -5.208
   36   2HD   LYS   4           HD1      LYS   4  61.445 -11.394  -5.273
   37   1HE   LYS   4           HE2      LYS   4  61.666 -11.810  -3.002
   38   2HE   LYS   4           HE1      LYS   4  60.020 -11.178  -3.047
   39   1HZ   LYS   4           HZ2      LYS   4  60.501 -14.059  -3.402
   40   2HZ   LYS   4           HZ1      LYS   4  60.495 -13.392  -1.840
   41   3HZ   LYS   4           HZ3      LYS   4  59.116 -13.266  -2.820
   42    H    LYS   5           HN       LYS   5  60.219  -7.537  -4.991
   43    HA   LYS   5           HA       LYS   5  62.383  -7.869  -3.131
   44   1HB   LYS   5           HB2      LYS   5  61.837  -6.250  -5.394
   45   2HB   LYS   5           HB1      LYS   5  62.205  -5.152  -4.062
   46   1HG   LYS   5           HG2      LYS   5  64.368  -5.890  -3.864
   47   2HG   LYS   5           HG1      LYS   5  63.955  -7.539  -4.336
   48   1HD   LYS   5           HD2      LYS   5  64.959  -6.974  -6.302
   49   2HD   LYS   5           HD1      LYS   5  63.417  -6.190  -6.649
   50   1HE   LYS   5           HE2      LYS   5  64.287  -4.081  -5.678
   51   2HE   LYS   5           HE1      LYS   5  65.840  -4.868  -5.395
   52   1HZ   LYS   5           HZ2      LYS   5  64.690  -4.958  -8.090
   53   2HZ   LYS   5           HZ1      LYS   5  65.407  -3.508  -7.565
   54   3HZ   LYS   5           HZ3      LYS   5  66.320  -4.938  -7.610
   55    H    ILE   6           HN       ILE   6  59.268  -6.582  -2.788
   56    HA   ILE   6           HA       ILE   6  60.073  -4.847  -0.508
   57    HB   ILE   6           HB       ILE   6  57.315  -5.224  -1.682
   58   1HG1  ILE   6           HG12     ILE   6  59.172  -4.509  -3.306
   59   2HG1  ILE   6           HG11     ILE   6  57.761  -3.449  -3.196
   60   1HG2  ILE   6           HG23     ILE   6  57.719  -4.156   0.630
   61   2HG2  ILE   6           HG22     ILE   6  58.449  -2.817  -0.248
   62   3HG2  ILE   6           HG21     ILE   6  56.761  -3.237  -0.525
   63   1HD1  ILE   6           HD13     ILE   6  60.192  -2.989  -1.472
   64   2HD1  ILE   6           HD12     ILE   6  60.111  -2.357  -3.117
   65   3HD1  ILE   6           HD11     ILE   6  58.926  -1.844  -1.916
   66    H    GLU   7           HN       GLU   7  58.100  -7.711  -1.265
   67    HA   GLU   7           HA       GLU   7  57.114  -8.023   1.435
   68   1HB   GLU   7           HB2      GLU   7  56.338 -10.182   0.723
   69   2HB   GLU   7           HB1      GLU   7  56.141  -9.113  -0.665
   70   1HG   GLU   7           HG2      GLU   7  57.190 -10.944  -1.653
   71   2HG   GLU   7           HG1      GLU   7  58.577  -9.925  -1.263
   72    H    GLU   8           HN       GLU   8  60.069  -8.658  -0.198
   73    HA   GLU   8           HA       GLU   8  61.044 -10.668   1.658
   74   1HB   GLU   8           HB2      GLU   8  63.113 -10.497   0.452
   75   2HB   GLU   8           HB1      GLU   8  61.829 -10.333  -0.748
   76   1HG   GLU   8           HG2      GLU   8  62.030  -7.875  -0.654
   77   2HG   GLU   8           HG1      GLU   8  63.299  -8.033   0.573
   78    H    ILE   9           HN       ILE   9  61.517  -7.161   1.198
   79    HA   ILE   9           HA       ILE   9  63.302  -6.947   3.486
   80    HB   ILE   9           HB       ILE   9  63.434  -5.316   1.648
   81   1HG1  ILE   9           HG12     ILE   9  63.670  -3.374   2.994
   82   2HG1  ILE   9           HG11     ILE   9  62.357  -3.858   4.065
   83   1HG2  ILE   9           HG22     ILE   9  61.013  -5.359   1.083
   84   2HG2  ILE   9           HG21     ILE   9  60.672  -4.468   2.565
   85   3HG2  ILE   9           HG23     ILE   9  61.621  -3.716   1.283
   86   1HD1  ILE   9           HD11     ILE   9  64.662  -5.729   3.872
   87   2HD1  ILE   9           HD13     ILE   9  64.953  -4.204   4.710
   88   3HD1  ILE   9           HD12     ILE   9  63.683  -5.291   5.272
   89    H    ALA  10           HN       ALA  10  59.911  -6.992   2.968
   90    HA   ALA  10           HA       ALA  10  59.194  -5.646   5.455
   91   1HB   ALA  10           HB2      ALA  10  57.668  -5.721   3.495
   92   2HB   ALA  10           HB1      ALA  10  57.557  -7.472   3.676
   93   3HB   ALA  10           HB3      ALA  10  56.927  -6.413   4.938
   94    H    ALA  11           HN       ALA  11  59.422  -8.970   4.259
   95    HA   ALA  11           HA       ALA  11  58.645 -10.163   6.789
   96   1HB   ALA  11           HB3      ALA  11  58.441 -11.265   4.520
   97   2HB   ALA  11           HB2      ALA  11  60.196 -11.444   4.528
   98   3HB   ALA  11           HB1      ALA  11  59.221 -12.257   5.752
   99    H    LYS  12           HN       LYS  12  61.656  -9.089   5.322
  100    HA   LYS  12           HA       LYS  12  63.199 -10.492   7.425
  101   1HB   LYS  12           HB2      LYS  12  65.172  -9.849   6.255
  102   2HB   LYS  12           HB1      LYS  12  64.005 -10.286   5.009
  103   1HG   LYS  12           HG2      LYS  12  64.377  -8.264   4.102
  104   2HG   LYS  12           HG1      LYS  12  63.524  -7.574   5.486
  105   1HD   LYS  12           HD2      LYS  12  65.507  -6.470   5.793
  106   2HD   LYS  12           HD1      LYS  12  65.971  -7.976   6.586
  107   1HE   LYS  12           HE2      LYS  12  66.875  -8.808   4.424
  108   2HE   LYS  12           HE1      LYS  12  66.472  -7.260   3.681
  109   1HZ   LYS  12           HZ2      LYS  12  67.903  -6.774   6.039
  110   2HZ   LYS  12           HZ1      LYS  12  68.760  -7.931   5.137
  111   3HZ   LYS  12           HZ3      LYS  12  68.364  -6.436   4.439
  112    H    TYR  13           HN       TYR  13  61.431  -8.672   8.487
  113    HA   TYR  13           HA       TYR  13  63.196  -6.402   9.302
  114   1HB   TYR  13           HB2      TYR  13  60.223  -6.689   9.041
  115   2HB   TYR  13           HB1      TYR  13  60.864  -5.588  10.253
  116    HD1  TYR  13           HD1      TYR  13  63.288  -4.531   9.023
  117    HD2  TYR  13           HD2      TYR  13  59.462  -5.367   7.265
  118    HE1  TYR  13           HE1      TYR  13  63.726  -2.835   7.266
  119    HE2  TYR  13           HE2      TYR  13  59.899  -3.679   5.507
  120    HH   TYR  13           HH       TYR  13  62.653  -1.527   5.675
  121    H    LYS  14           HN       LYS  14  63.558  -6.102  11.507
  122    HA   LYS  14           HA       LYS  14  63.057  -8.448  13.213
  123   1HB   LYS  14           HB2      LYS  14  65.076  -6.502  13.062
  124   2HB   LYS  14           HB1      LYS  14  64.233  -6.163  14.574
  125   1HG   LYS  14           HG2      LYS  14  64.476  -8.538  15.233
  126   2HG   LYS  14           HG1      LYS  14  65.347  -8.857  13.732
  127   1HD   LYS  14           HD2      LYS  14  66.460  -6.571  15.160
  128   2HD   LYS  14           HD1      LYS  14  66.483  -8.035  16.144
  129   1HE   LYS  14           HE2      LYS  14  67.501  -9.236  14.159
  130   2HE   LYS  14           HE1      LYS  14  67.670  -7.661  13.384
  131   1HZ   LYS  14           HZ2      LYS  14  68.819  -7.021  15.583
  132   2HZ   LYS  14           HZ1      LYS  14  69.014  -8.696  15.790
  133   3HZ   LYS  14           HZ3      LYS  14  69.686  -7.927  14.436
  134    H    HIS  15           HN       HIS  15  60.660  -7.217  12.514
  135    HA   HIS  15           HA       HIS  15  59.439  -6.754  15.044
  136   1HB   HIS  15           HB2      HIS  15  60.769  -4.466  13.950
  137   2HB   HIS  15           HB1      HIS  15  59.031  -4.187  13.860
  138    HD1  HIS  15           HD1      HIS  15  61.848  -4.402  16.247
  139    HD2  HIS  15           HD2      HIS  15  57.685  -4.353  16.445
  140    HE1  HIS  15           HE1      HIS  15  61.252  -3.936  18.664
  141    H    SER  16           HN       SER  16  57.637  -7.874  14.407
  142    HA   SER  16           HA       SER  16  56.478  -8.181  11.937
  143   1HB   SER  16           HB2      SER  16  55.064  -7.778  14.579
  144   2HB   SER  16           HB1      SER  16  54.262  -8.355  13.123
  145    HG   SER  16           HG       SER  16  56.560  -9.545  14.296
  146    H    VAL  17           HN       VAL  17  55.902  -5.320  14.042
  147    HA   VAL  17           HA       VAL  17  53.926  -4.104  12.412
  148    HB   VAL  17           HB       VAL  17  55.990  -2.653  14.083
  149   1HG1  VAL  17           HG13     VAL  17  53.812  -1.783  12.508
  150   2HG1  VAL  17           HG12     VAL  17  53.270  -1.679  14.184
  151   3HG1  VAL  17           HG11     VAL  17  54.730  -0.831  13.675
  152   1HG2  VAL  17           HG21     VAL  17  54.416  -4.706  14.993
  153   2HG2  VAL  17           HG23     VAL  17  54.966  -3.360  15.993
  154   3HG2  VAL  17           HG22     VAL  17  53.363  -3.317  15.259
  155    H    VAL  18           HN       VAL  18  57.480  -3.841  12.300
  156    HA   VAL  18           HA       VAL  18  57.735  -1.752  10.434
  157    HB   VAL  18           HB       VAL  18  59.375  -4.301  10.364
  158   1HG1  VAL  18           HG11     VAL  18  59.576  -2.295   8.680
  159   2HG1  VAL  18           HG13     VAL  18  60.389  -1.507  10.031
  160   3HG1  VAL  18           HG12     VAL  18  61.030  -3.009   9.375
  161   1HG2  VAL  18           HG22     VAL  18  58.931  -2.807  12.640
  162   2HG2  VAL  18           HG21     VAL  18  60.362  -3.785  12.328
  163   3HG2  VAL  18           HG23     VAL  18  60.380  -2.063  11.972
  164    H    LYS  19           HN       LYS  19  56.480  -4.957  10.047
  165    HA   LYS  19           HA       LYS  19  56.816  -5.315   7.250
  166   1HB   LYS  19           HB2      LYS  19  55.704  -6.808   9.209
  167   2HB   LYS  19           HB1      LYS  19  54.238  -6.181   8.454
  168   1HG   LYS  19           HG2      LYS  19  54.940  -7.024   6.281
  169   2HG   LYS  19           HG1      LYS  19  56.488  -7.543   6.949
  170   1HD   LYS  19           HD2      LYS  19  53.851  -8.559   8.022
  171   2HD   LYS  19           HD1      LYS  19  54.704  -9.363   6.704
  172   1HE   LYS  19           HE2      LYS  19  56.749  -9.107   8.436
  173   2HE   LYS  19           HE1      LYS  19  55.415  -9.180   9.588
  174   1HZ   LYS  19           HZ3      LYS  19  55.325 -11.116   7.429
  175   2HZ   LYS  19           HZ2      LYS  19  56.587 -11.330   8.547
  176   3HZ   LYS  19           HZ1      LYS  19  54.973 -11.309   9.077
  177    H    LYS  20           HN       LYS  20  54.130  -3.796   9.063
  178    HA   LYS  20           HA       LYS  20  52.643  -3.027   6.733
  179   1HB   LYS  20           HB2      LYS  20  51.481  -3.021   8.817
  180   2HB   LYS  20           HB1      LYS  20  52.693  -1.985   9.567
  181   1HG   LYS  20           HG2      LYS  20  51.544  -0.158   8.924
  182   2HG   LYS  20           HG1      LYS  20  51.696  -0.644   7.233
  183   1HD   LYS  20           HD2      LYS  20  49.313  -0.389   8.016
  184   2HD   LYS  20           HD1      LYS  20  49.689  -1.989   7.374
  185   1HE   LYS  20           HE2      LYS  20  49.236  -2.973   9.352
  186   2HE   LYS  20           HE1      LYS  20  50.273  -1.838  10.217
  187   1HZ   LYS  20           HZ2      LYS  20  47.517  -1.221   9.303
  188   2HZ   LYS  20           HZ1      LYS  20  47.910  -1.725  10.877
  189   3HZ   LYS  20           HZ3      LYS  20  48.507  -0.251  10.286
  190    H    CYS  21           HN       CYS  21  54.910  -1.198   8.801
  191    HA   CYS  21           HA       CYS  21  54.862   1.284   7.550
  192   1HB   CYS  21           HB2      CYS  21  57.160  -0.295   8.719
  193   2HB   CYS  21           HB1      CYS  21  57.373   1.346   8.120
  194    H    CYS  22           HN       CYS  22  56.741  -1.567   6.568
  195    HA   CYS  22           HA       CYS  22  57.835  -0.299   4.206
  196   1HB   CYS  22           HB2      CYS  22  59.081  -2.129   5.021
  197   2HB   CYS  22           HB1      CYS  22  57.650  -3.138   5.216
  198    H    TYR  23           HN       TYR  23  54.947  -2.158   4.959
  199    HA   TYR  23           HA       TYR  23  54.137  -2.856   2.357
  200   1HB   TYR  23           HB2      TYR  23  52.879  -2.584   4.953
  201   2HB   TYR  23           HB1      TYR  23  51.788  -2.107   3.665
  202    HD1  TYR  23           HD2      TYR  23  51.670  -3.665   1.579
  203    HD2  TYR  23           HD1      TYR  23  53.184  -4.810   5.424
  204    HE1  TYR  23           HE2      TYR  23  51.313  -6.053   1.002
  205    HE2  TYR  23           HE1      TYR  23  52.834  -7.161   4.848
  206    HH   TYR  23           HH       TYR  23  52.696  -8.465   2.283
  207    H    ASP  24           HN       ASP  24  53.372   0.109   4.206
  208    HA   ASP  24           HA       ASP  24  52.073   1.422   1.991
  209   1HB   ASP  24           HB2      ASP  24  53.453   2.983   4.143
  210   2HB   ASP  24           HB1      ASP  24  51.883   3.263   3.399
  211    H    GLY  25           HN       GLY  25  55.354   1.672   3.385
  212   1HA   GLY  25           HA2      GLY  25  56.527   3.615   1.838
  213   2HA   GLY  25           HA1      GLY  25  57.377   2.116   2.230
  214    H    ALA  26           HN       ALA  26  56.217   0.201   0.778
  215    HA   ALA  26           HA       ALA  26  57.036   0.766  -1.928
  216   1HB   ALA  26           HB3      ALA  26  55.550  -1.552  -0.678
  217   2HB   ALA  26           HB2      ALA  26  55.987  -1.506  -2.386
  218   3HB   ALA  26           HB1      ALA  26  57.247  -1.490  -1.151
  219    H    CYS  27           HN       CYS  27  53.880   0.593  -0.304
  220    HA   CYS  27           HA       CYS  27  52.439   1.001  -2.833
  221   1HB   CYS  27           HB2      CYS  27  51.641   0.750   0.057
  222   2HB   CYS  27           HB1      CYS  27  50.487   1.357  -1.131
  223    HG   CYS  27           HG       CYS  27  51.882  -1.378  -1.671
  224    H    VAL  28           HN       VAL  28  54.387   2.991  -1.332
  225    HA   VAL  28           HA       VAL  28  53.471   5.304  -0.388
  226    HB   VAL  28           HB       VAL  28  55.724   5.304  -1.070
  227   1HG1  VAL  28           HG13     VAL  28  55.271   3.587  -2.900
  228   2HG1  VAL  28           HG12     VAL  28  54.889   4.946  -3.956
  229   3HG1  VAL  28           HG11     VAL  28  56.506   4.790  -3.271
  230   1HG2  VAL  28           HG21     VAL  28  54.316   7.469  -1.593
  231   2HG2  VAL  28           HG23     VAL  28  55.978   7.357  -2.175
  232   3HG2  VAL  28           HG22     VAL  28  54.637   7.042  -3.274
  233    H    ASN  29           HN       ASN  29  52.314   7.154  -1.063
  234    HA   ASN  29           HA       ASN  29  50.243   6.710  -3.039
  235   1HB   ASN  29           HB2      ASN  29  51.024   8.897  -1.170
  236   2HB   ASN  29           HB1      ASN  29  50.052   9.354  -2.570
  237   1HD2  ASN  29           HD22     ASN  29  47.636   8.400   0.077
  238   2HD2  ASN  29           HD21     ASN  29  48.764   9.644  -0.169
  239    H    ASN  30           HN       ASN  30  52.470   9.502  -2.920
  240    HA   ASN  30           HA       ASN  30  52.383   9.708  -5.837
  241   1HB   ASN  30           HB2      ASN  30  52.446  11.750  -4.496
  242   2HB   ASN  30           HB1      ASN  30  53.967  11.248  -3.758
  243   1HD2  ASN  30           HD22     ASN  30  55.854  12.677  -6.351
  244   2HD2  ASN  30           HD21     ASN  30  55.757  12.199  -4.725
  245    H    ASP  31           HN       ASP  31  55.493  10.357  -4.455
  246    HA   ASP  31           HA       ASP  31  56.606   7.723  -5.060
  247   1HB   ASP  31           HB2      ASP  31  57.149  10.087  -6.879
  248   2HB   ASP  31           HB1      ASP  31  58.136   8.627  -6.851
  249    H    GLU  32           HN       GLU  32  58.401  10.675  -5.615
  250    HA   GLU  32           HA       GLU  32  60.556  10.212  -3.991
  251   1HB   GLU  32           HB2      GLU  32  59.435  12.497  -5.240
  252   2HB   GLU  32           HB1      GLU  32  59.822  12.962  -3.582
  253   1HG   GLU  32           HG2      GLU  32  62.058  11.577  -4.171
  254   2HG   GLU  32           HG1      GLU  32  61.637  12.134  -5.791
  255    H    THR  33           HN       THR  33  58.163  12.530  -2.714
  256    HA   THR  33           HA       THR  33  58.878  11.774   0.013
  257    HB   THR  33           HB       THR  33  56.890  13.430   0.473
  258    HG1  THR  33           HG1      THR  33  56.245  14.568  -1.230
  259   1HG2  THR  33           HG21     THR  33  59.542  13.730   0.396
  260   2HG2  THR  33           HG23     THR  33  59.135  14.749  -0.984
  261   3HG2  THR  33           HG22     THR  33  58.463  15.109   0.607
  262    H    CYS  34           HN       CYS  34  58.138   9.474  -0.369
  263    HA   CYS  34           HA       CYS  34  55.479   8.688  -0.792
  264   1HB   CYS  34           HB2      CYS  34  56.167   6.862   1.083
  265   2HB   CYS  34           HB1      CYS  34  56.719   6.774  -0.583
  266    H    GLU  35           HN       GLU  35  56.462   8.135   2.536
  267    HA   GLU  35           HA       GLU  35  53.899   8.979   3.539
  268   1HB   GLU  35           HB2      GLU  35  56.498   8.628   5.042
  269   2HB   GLU  35           HB1      GLU  35  54.911   8.710   5.780
  270   1HG   GLU  35           HG2      GLU  35  55.549   6.663   3.662
  271   2HG   GLU  35           HG1      GLU  35  55.877   6.361   5.371
  272    H    GLN  36           HN       GLN  36  57.014  10.586   3.144
  273    HA   GLN  36           HA       GLN  36  56.621  12.905   4.694
  274   1HB   GLN  36           HB2      GLN  36  57.815  12.658   1.906
  275   2HB   GLN  36           HB1      GLN  36  57.963  14.089   2.928
  276   1HG   GLN  36           HG2      GLN  36  59.154  12.823   4.623
  277   2HG   GLN  36           HG1      GLN  36  58.890  11.320   3.740
  278   1HE2  GLN  36           HE22     GLN  36  61.643  14.004   2.270
  279   2HE2  GLN  36           HE21     GLN  36  60.391  14.567   3.270
  280    H    ARG  37           HN       ARG  37  55.197  11.796   1.730
  281    HA   ARG  37           HA       ARG  37  53.684  14.280   1.276
  282   1HB   ARG  37           HB2      ARG  37  54.383  12.894  -0.664
  283   2HB   ARG  37           HB1      ARG  37  53.431  11.548  -0.034
  284   1HG   ARG  37           HG2      ARG  37  51.736  13.833  -0.075
  285   2HG   ARG  37           HG1      ARG  37  52.548  13.757  -1.639
  286   1HD   ARG  37           HD2      ARG  37  51.914  11.297  -1.721
  287   2HD   ARG  37           HD1      ARG  37  50.891  11.597  -0.315
  288    HE   ARG  37           HE       ARG  37  50.438  13.358  -2.641
  289   1HH1  ARG  37           HH12     ARG  37  48.501  12.714  -0.360
  290   2HH1  ARG  37           HH11     ARG  37  47.365  11.691  -1.173
  291   1HH2  ARG  37           HH21     ARG  37  49.433  11.113  -3.897
  292   2HH2  ARG  37           HH22     ARG  37  47.893  10.783  -3.176
  293    H    ALA  38           HN       ALA  38  53.246  11.010   2.575
  294    HA   ALA  38           HA       ALA  38  50.533  10.749   2.965
  295   1HB   ALA  38           HB2      ALA  38  52.676  10.350   5.082
  296   2HB   ALA  38           HB1      ALA  38  51.033   9.727   5.195
  297   3HB   ALA  38           HB3      ALA  38  52.113   9.137   3.934
  298    H    ALA  39           HN       ALA  39  52.628  12.472   5.245
  299    HA   ALA  39           HA       ALA  39  51.098  14.844   5.390
  300   1HB   ALA  39           HB1      ALA  39  49.570  12.838   6.430
  301   2HB   ALA  39           HB3      ALA  39  50.434  13.366   7.874
  302   3HB   ALA  39           HB2      ALA  39  49.461  14.518   6.958
  303    H    ARG  40           HN       ARG  40  52.649  12.444   7.425
  304    HA   ARG  40           HA       ARG  40  55.035  13.895   7.912
  305   1HB   ARG  40           HB2      ARG  40  52.765  14.703   9.570
  306   2HB   ARG  40           HB1      ARG  40  54.125  14.112  10.526
  307   1HG   ARG  40           HG2      ARG  40  55.613  15.639   9.130
  308   2HG   ARG  40           HG1      ARG  40  54.130  16.365   8.509
  309   1HD   ARG  40           HD2      ARG  40  53.440  16.997  10.756
  310   2HD   ARG  40           HD1      ARG  40  54.826  16.156  11.451
  311    HE   ARG  40           HE       ARG  40  56.240  17.860  10.158
  312   1HH1  ARG  40           HH12     ARG  40  55.017  19.720   8.735
  313   2HH1  ARG  40           HH11     ARG  40  54.282  20.871   9.800
  314   1HH2  ARG  40           HH21     ARG  40  54.412  18.789  12.570
  315   2HH2  ARG  40           HH22     ARG  40  53.940  20.344  11.972
  316    H    ILE  41           HN       ILE  41  56.193  11.997   8.037
  317    HA   ILE  41           HA       ILE  41  55.237   9.532   8.918
  318    HB   ILE  41           HB       ILE  41  57.497   9.893   7.856
  319   1HG1  ILE  41           HG12     ILE  41  58.529   8.051   9.183
  320   2HG1  ILE  41           HG11     ILE  41  57.297   8.294  10.420
  321   1HG2  ILE  41           HG21     ILE  41  58.022  11.725   9.664
  322   2HG2  ILE  41           HG23     ILE  41  58.522  10.348  10.645
  323   3HG2  ILE  41           HG22     ILE  41  59.318  10.667   9.106
  324   1HD1  ILE  41           HD11     ILE  41  56.474   7.877   7.557
  325   2HD1  ILE  41           HD13     ILE  41  56.863   6.489   8.573
  326   3HD1  ILE  41           HD12     ILE  41  55.553   7.577   9.030
  327    H    SER  42           HN       SER  42  53.970   9.523  10.681
  328    HA   SER  42           HA       SER  42  55.428   9.821  13.192
  329   1HB   SER  42           HB2      SER  42  54.080  11.413  14.162
  330   2HB   SER  42           HB1      SER  42  54.038  11.969  12.487
  331    HG   SER  42           HG       SER  42  51.983  11.446  13.882
  332    H    LEU  43           HN       LEU  43  54.847   7.488  12.090
  333    HA   LEU  43           HA       LEU  43  52.561   6.597  13.742
  334   1HB   LEU  43           HB2      LEU  43  53.604   5.425  11.145
  335   2HB   LEU  43           HB1      LEU  43  52.381   4.650  12.151
  336    HG   LEU  43           HG       LEU  43  51.692   7.423  11.684
  337   1HD1  LEU  43           HD11     LEU  43  52.860   5.993   9.443
  338   2HD1  LEU  43           HD13     LEU  43  51.167   6.377   9.130
  339   3HD1  LEU  43           HD12     LEU  43  52.306   7.665   9.526
  340   1HD2  LEU  43           HD21     LEU  43  50.473   4.897  11.988
  341   2HD2  LEU  43           HD23     LEU  43  49.660   6.451  11.801
  342   3HD2  LEU  43           HD22     LEU  43  50.006   5.459  10.383
  343    H    GLY  44           HN       GLY  44  55.864   6.650  13.452
  344   1HA   GLY  44           HA2      GLY  44  56.575   5.204  15.650
  345   2HA   GLY  44           HA1      GLY  44  56.372   3.927  14.453
  346    HA   PRO  45           HA       PRO  45  60.644   5.992  13.982
  347   1HB   PRO  45           HB2      PRO  45  62.117   4.229  15.425
  348   2HB   PRO  45           HB1      PRO  45  61.365   5.660  16.141
  349   1HG   PRO  45           HG2      PRO  45  60.591   2.819  16.390
  350   2HG   PRO  45           HG1      PRO  45  60.370   4.157  17.527
  351   1HD   PRO  45           HD2      PRO  45  58.409   3.069  15.856
  352   2HD   PRO  45           HD1      PRO  45  58.290   4.589  16.743
  353    H    ARG  46           HN       ARG  46  60.342   2.447  14.474
  354    HA   ARG  46           HA       ARG  46  62.080   1.617  12.446
  355   1HB   ARG  46           HB2      ARG  46  61.124  -0.500  12.663
  356   2HB   ARG  46           HB1      ARG  46  60.631   0.249  14.177
  357   1HG   ARG  46           HG2      ARG  46  58.898   0.243  11.690
  358   2HG   ARG  46           HG1      ARG  46  58.786  -0.977  12.954
  359   1HD   ARG  46           HD2      ARG  46  58.671   1.899  13.764
  360   2HD   ARG  46           HD1      ARG  46  57.247   1.186  13.014
  361    HE   ARG  46           HE       ARG  46  58.044  -0.623  15.005
  362   1HH1  ARG  46           HH21     ARG  46  55.789   1.711  14.535
  363   2HH1  ARG  46           HH22     ARG  46  55.636   2.196  16.191
  364   1HH2  ARG  46           HH12     ARG  46  58.415   0.412  17.247
  365   2HH2  ARG  46           HH11     ARG  46  57.125   1.464  17.724
  366    H    CYS  47           HN       CYS  47  58.944   3.048  12.208
  367    HA   CYS  47           HA       CYS  47  58.227   2.293   9.524
  368   1HB   CYS  47           HB2      CYS  47  57.195   3.924  11.589
  369   2HB   CYS  47           HB1      CYS  47  57.442   4.999  10.206
  370    H    ILE  48           HN       ILE  48  59.601   5.344  10.745
  371    HA   ILE  48           HA       ILE  48  60.039   6.777   8.511
  372    HB   ILE  48           HB       ILE  48  61.223   6.622  11.084
  373   1HG1  ILE  48           HG12     ILE  48  62.028   9.016   9.913
  374   2HG1  ILE  48           HG11     ILE  48  60.581   8.565   9.011
  375   1HG2  ILE  48           HG23     ILE  48  63.237   6.815   8.848
  376   2HG2  ILE  48           HG22     ILE  48  63.512   7.570  10.417
  377   3HG2  ILE  48           HG21     ILE  48  63.303   5.823  10.305
  378   1HD1  ILE  48           HD11     ILE  48  60.631   8.422  12.022
  379   2HD1  ILE  48           HD13     ILE  48  60.265   9.934  11.193
  380   3HD1  ILE  48           HD12     ILE  48  59.236   8.524  10.949
  381    H    LYS  49           HN       LYS  49  62.533   4.366   9.504
  382    HA   LYS  49           HA       LYS  49  63.701   4.488   6.822
  383   1HB   LYS  49           HB2      LYS  49  64.363   2.827   9.265
  384   2HB   LYS  49           HB1      LYS  49  65.282   2.774   7.759
  385   1HG   LYS  49           HG2      LYS  49  64.796   5.497   8.776
  386   2HG   LYS  49           HG1      LYS  49  65.798   4.499   9.831
  387   1HD   LYS  49           HD2      LYS  49  66.640   4.053   7.137
  388   2HD   LYS  49           HD1      LYS  49  66.552   5.796   7.401
  389   1HE   LYS  49           HE2      LYS  49  68.560   5.615   8.418
  390   2HE   LYS  49           HE1      LYS  49  67.703   4.830   9.745
  391   1HZ   LYS  49           HZ1      LYS  49  68.238   3.066   7.550
  392   2HZ   LYS  49           HZ3      LYS  49  69.653   3.704   8.232
  393   3HZ   LYS  49           HZ2      LYS  49  68.548   2.860   9.208
  394    H    ALA  50           HN       ALA  50  61.407   2.415   8.448
  395    HA   ALA  50           HA       ALA  50  61.859   0.135   6.732
  396   1HB   ALA  50           HB2      ALA  50  60.734  -0.061   8.945
  397   2HB   ALA  50           HB1      ALA  50  59.386   0.890   8.326
  398   3HB   ALA  50           HB3      ALA  50  59.733  -0.699   7.643
  399    H    PHE  51           HN       PHE  51  59.137   2.402   6.959
  400    HA   PHE  51           HA       PHE  51  58.112   1.769   4.419
  401   1HB   PHE  51           HB2      PHE  51  56.528   3.350   4.834
  402   2HB   PHE  51           HB1      PHE  51  57.141   3.207   6.473
  403    HD1  PHE  51           HD2      PHE  51  57.509   5.177   3.305
  404    HD2  PHE  51           HD1      PHE  51  58.099   5.078   7.541
  405    HE1  PHE  51           HE2      PHE  51  58.128   7.582   3.298
  406    HE2  PHE  51           HE1      PHE  51  58.712   7.465   7.520
  407    HZ   PHE  51           HZ       PHE  51  58.727   8.717   5.408
  408    H    THR  52           HN       THR  52  60.262   4.435   5.463
  409    HA   THR  52           HA       THR  52  60.426   5.700   2.948
  410    HB   THR  52           HB       THR  52  62.562   5.397   5.075
  411    HG1  THR  52           HG1      THR  52  60.471   6.567   5.384
  412   1HG2  THR  52           HG23     THR  52  62.453   7.167   2.620
  413   2HG2  THR  52           HG22     THR  52  63.592   7.385   3.948
  414   3HG2  THR  52           HG21     THR  52  63.647   5.918   2.972
  415    H    GLU  53           HN       GLU  53  62.304   3.009   4.246
  416    HA   GLU  53           HA       GLU  53  64.089   2.662   2.064
  417   1HB   GLU  53           HB2      GLU  53  64.476   1.680   4.267
  418   2HB   GLU  53           HB1      GLU  53  63.050   0.666   4.055
  419   1HG   GLU  53           HG2      GLU  53  65.269  -0.464   3.536
  420   2HG   GLU  53           HG1      GLU  53  64.056  -0.547   2.258
  421    H    CYS  54           HN       CYS  54  60.914   1.204   2.737
  422    HA   CYS  54           HA       CYS  54  61.066  -0.497   0.378
  423   1HB   CYS  54           HB2      CYS  54  58.983   0.096   2.451
  424   2HB   CYS  54           HB1      CYS  54  58.509  -0.708   0.952
  425    H    CYS  55           HN       CYS  55  60.005   2.719   1.085
  426    HA   CYS  55           HA       CYS  55  58.406   2.902  -1.372
  427   1HB   CYS  55           HB2      CYS  55  57.525   4.748  -0.397
  428   2HB   CYS  55           HB1      CYS  55  58.452   4.326   1.035
  429    H    VAL  56           HN       VAL  56  61.657   3.435  -0.297
  430    HA   VAL  56           HA       VAL  56  62.425   5.029  -2.637
  431    HB   VAL  56           HB       VAL  56  64.151   3.524  -0.635
  432   1HG1  VAL  56           HG13     VAL  56  64.689   5.407  -2.897
  433   2HG1  VAL  56           HG12     VAL  56  65.741   5.463  -1.481
  434   3HG1  VAL  56           HG11     VAL  56  65.578   3.967  -2.401
  435   1HG2  VAL  56           HG23     VAL  56  62.492   5.663  -0.096
  436   2HG2  VAL  56           HG22     VAL  56  63.944   5.256   0.816
  437   3HG2  VAL  56           HG21     VAL  56  64.021   6.458  -0.473
  438    H    VAL  57           HN       VAL  57  62.827   1.675  -1.516
  439    HA   VAL  57           HA       VAL  57  64.219   0.810  -3.875
  440    HB   VAL  57           HB       VAL  57  63.557  -1.453  -3.148
  441   1HG1  VAL  57           HG13     VAL  57  64.944   0.490  -1.555
  442   2HG1  VAL  57           HG12     VAL  57  64.085  -0.612  -0.478
  443   3HG1  VAL  57           HG11     VAL  57  65.236  -1.246  -1.654
  444   1HG2  VAL  57           HG21     VAL  57  61.780   0.084  -1.239
  445   2HG2  VAL  57           HG23     VAL  57  61.266  -1.042  -2.492
  446   3HG2  VAL  57           HG22     VAL  57  62.130  -1.637  -1.074
  447    H    ALA  58           HN       ALA  58  60.882   0.942  -2.784
  448    HA   ALA  58           HA       ALA  58  59.665  -0.125  -5.141
  449   1HB   ALA  58           HB1      ALA  58  58.693   1.862  -3.065
  450   2HB   ALA  58           HB3      ALA  58  57.663   1.202  -4.335
  451   3HB   ALA  58           HB2      ALA  58  58.349   0.132  -3.111
  452    H    SER  59           HN       SER  59  61.031   2.900  -4.192
  453    HA   SER  59           HA       SER  59  59.906   4.632  -6.133
  454   1HB   SER  59           HB2      SER  59  61.413   5.114  -4.085
  455   2HB   SER  59           HB1      SER  59  62.742   4.905  -5.220
  456    HG   SER  59           HG       SER  59  61.740   7.100  -4.927
  457    H    GLN  60           HN       GLN  60  63.178   3.241  -6.172
  458    HA   GLN  60           HA       GLN  60  63.732   3.743  -8.902
  459   1HB   GLN  60           HB2      GLN  60  64.923   2.321  -6.700
  460   2HB   GLN  60           HB1      GLN  60  65.021   1.343  -8.165
  461   1HG   GLN  60           HG2      GLN  60  66.282   2.948  -9.305
  462   2HG   GLN  60           HG1      GLN  60  65.693   4.263  -8.285
  463   1HE2  GLN  60           HE22     GLN  60  67.888   3.078  -5.511
  464   2HE2  GLN  60           HE21     GLN  60  66.221   3.328  -5.712
  465    H    LEU  61           HN       LEU  61  61.871   1.261  -7.339
  466    HA   LEU  61           HA       LEU  61  61.876  -0.635  -9.506
  467   1HB   LEU  61           HB2      LEU  61  60.203  -0.135  -7.062
  468   2HB   LEU  61           HB1      LEU  61  59.661  -1.307  -8.253
  469    HG   LEU  61           HG       LEU  61  62.201  -1.338  -6.658
  470   1HD1  LEU  61           HD12     LEU  61  60.048  -2.254  -5.694
  471   2HD1  LEU  61           HD11     LEU  61  60.055  -3.442  -6.998
  472   3HD1  LEU  61           HD13     LEU  61  61.358  -3.430  -5.810
  473   1HD2  LEU  61           HD23     LEU  61  61.492  -2.689  -9.228
  474   2HD2  LEU  61           HD22     LEU  61  63.062  -2.115  -8.665
  475   3HD2  LEU  61           HD21     LEU  61  62.393  -3.618  -8.030
  476    H    ARG  62           HN       ARG  62  59.917   2.144  -8.584
  477    HA   ARG  62           HA       ARG  62  58.258   1.748 -11.002
  478   1HB   ARG  62           HB2      ARG  62  56.743   3.411 -10.040
  479   2HB   ARG  62           HB1      ARG  62  57.090   2.165  -8.842
  480   1HG   ARG  62           HG2      ARG  62  58.764   3.598  -7.786
  481   2HG   ARG  62           HG1      ARG  62  58.528   4.830  -9.021
  482   1HD   ARG  62           HD2      ARG  62  57.291   5.334  -6.909
  483   2HD   ARG  62           HD1      ARG  62  56.223   5.172  -8.301
  484    HE   ARG  62           HE       ARG  62  56.334   3.362  -5.997
  485   1HH1  ARG  62           HH12     ARG  62  54.260   4.488  -8.234
  486   2HH1  ARG  62           HH11     ARG  62  53.603   2.963  -8.726
  487   1HH2  ARG  62           HH21     ARG  62  56.024   1.094  -7.093
  488   2HH2  ARG  62           HH22     ARG  62  54.603   1.043  -8.081
  489    H    ALA  63           HN       ALA  63  61.106   3.248 -10.259
  490    HA   ALA  63           HA       ALA  63  60.683   5.860 -11.417
  491   1HB   ALA  63           HB2      ALA  63  63.188   4.219 -10.959
  492   2HB   ALA  63           HB1      ALA  63  63.203   5.878 -11.557
  493   3HB   ALA  63           HB3      ALA  63  62.569   5.526  -9.950
  494    H    ASN  64           HN       ASN  64  63.181   3.849 -12.826
  495    HA   ASN  64           HA       ASN  64  62.370   4.641 -15.500
  496   1HB   ASN  64           HB2      ASN  64  64.758   4.199 -14.670
  497   2HB   ASN  64           HB1      ASN  64  64.375   2.484 -14.822
  498   1HD2  ASN  64           HD21     ASN  64  66.058   2.434 -16.580
  499   2HD2  ASN  64           HD22     ASN  64  65.644   2.970 -18.136
  500    H    ILE  65           HN       ILE  65  62.606   1.437 -13.903
  501    HA   ILE  65           HA       ILE  65  61.561  -0.164 -15.911
  502    HB   ILE  65           HB       ILE  65  60.646  -0.449 -13.046
  503   1HG1  ILE  65           HG12     ILE  65  63.008  -1.893 -13.313
  504   2HG1  ILE  65           HG11     ILE  65  63.368  -0.370 -14.128
  505   1HG2  ILE  65           HG23     ILE  65  60.763  -2.112 -15.455
  506   2HG2  ILE  65           HG22     ILE  65  61.518  -2.880 -14.060
  507   3HG2  ILE  65           HG21     ILE  65  59.838  -2.350 -13.973
  508   1HD1  ILE  65           HD12     ILE  65  62.397   0.805 -12.083
  509   2HD1  ILE  65           HD11     ILE  65  62.421  -0.767 -11.284
  510   3HD1  ILE  65           HD13     ILE  65  63.928  -0.033 -11.829
  511    H    SER  66           HN       SER  66  59.233  -1.144 -15.907
  512    HA   SER  66           HA       SER  66  57.000   0.375 -15.006
  513   1HB   SER  66           HB2      SER  66  58.355   1.569 -17.204
  514   2HB   SER  66           HB1      SER  66  56.849   0.900 -17.826
  515    HG   SER  66           HG       SER  66  56.879   3.118 -16.820
  516    H    HIS  67           HN       HIS  67  57.817  -2.387 -15.393
  517    HA   HIS  67           HA       HIS  67  55.458  -3.295 -16.948
  518   1HB   HIS  67           HB2      HIS  67  57.906  -3.362 -18.133
  519   2HB   HIS  67           HB1      HIS  67  57.890  -4.934 -17.336
  520    HD1  HIS  67           HD1      HIS  67  57.663  -4.627 -20.457
  521    HD2  HIS  67           HD2      HIS  67  54.424  -5.082 -17.870
  522    HE1  HIS  67           HE1      HIS  67  55.758  -5.552 -21.848
  523    H    LYS  68           HN       LYS  68  56.545  -6.104 -16.691
  524    HA   LYS  68           HA       LYS  68  55.245  -6.986 -14.422
  525   1HB   LYS  68           HB2      LYS  68  57.816  -8.029 -15.636
  526   2HB   LYS  68           HB1      LYS  68  56.930  -8.884 -14.373
  527   1HG   LYS  68           HG2      LYS  68  55.135  -8.046 -16.489
  528   2HG   LYS  68           HG1      LYS  68  56.456  -9.018 -17.140
  529   1HD   LYS  68           HD2      LYS  68  55.635 -10.251 -14.715
  530   2HD   LYS  68           HD1      LYS  68  54.172  -9.893 -15.635
  531   1HE   LYS  68           HE2      LYS  68  54.791 -11.984 -16.489
  532   2HE   LYS  68           HE1      LYS  68  55.513 -10.876 -17.657
  533   1HZ   LYS  68           HZ3      LYS  68  57.278 -11.280 -15.491
  534   2HZ   LYS  68           HZ2      LYS  68  56.804 -12.786 -16.120
  535   3HZ   LYS  68           HZ1      LYS  68  57.514 -11.624 -17.136
  536    H    ASP  69           HN       ASP  69  58.663  -5.967 -14.537
  537    HA   ASP  69           HA       ASP  69  59.180  -6.327 -11.771
  538   1HB   ASP  69           HB2      ASP  69  60.654  -5.534 -14.007
  539   2HB   ASP  69           HB1      ASP  69  60.646  -4.108 -12.969
  540    H    MET  70           HN       MET  70  58.347  -3.402 -13.654
  541    HA   MET  70           HA       MET  70  58.011  -1.784 -11.260
  542   1HB   MET  70           HB2      MET  70  58.642  -0.857 -13.499
  543   2HB   MET  70           HB1      MET  70  57.024  -1.254 -14.077
  544   1HG   MET  70           HG2      MET  70  57.197   0.313 -11.554
  545   2HG   MET  70           HG1      MET  70  57.626   1.155 -13.042
  546   1HE   MET  70           HE1      MET  70  56.101   2.626 -12.259
  547   2HE   MET  70           HE3      MET  70  54.674   2.790 -13.292
  548   3HE   MET  70           HE2      MET  70  54.500   2.252 -11.624
  549    H    GLN  71           HN       GLN  71  55.547  -2.401 -13.780
  550    HA   GLN  71           HA       GLN  71  53.260  -1.846 -12.387
  551   1HB   GLN  71           HB2      GLN  71  53.088  -2.628 -14.657
  552   2HB   GLN  71           HB1      GLN  71  53.756  -4.203 -14.223
  553   1HG   GLN  71           HG2      GLN  71  51.282  -4.278 -14.463
  554   2HG   GLN  71           HG1      GLN  71  51.800  -4.678 -12.824
  555   1HE2  GLN  71           HE22     GLN  71  49.327  -2.283 -11.876
  556   2HE2  GLN  71           HE21     GLN  71  49.660  -3.941 -12.011
  557    H    LEU  72           HN       LEU  72  55.238  -4.787 -11.971
  558    HA   LEU  72           HA       LEU  72  53.423  -5.573  -9.723
  559   1HB   LEU  72           HB2      LEU  72  54.745  -7.058 -11.802
  560   2HB   LEU  72           HB1      LEU  72  55.313  -7.621 -10.229
  561    HG   LEU  72           HG       LEU  72  52.972  -7.888  -9.505
  562   1HD1  LEU  72           HD11     LEU  72  52.215  -6.014 -11.060
  563   2HD1  LEU  72           HD13     LEU  72  52.255  -7.205 -12.359
  564   3HD1  LEU  72           HD12     LEU  72  51.160  -7.426 -10.994
  565   1HD2  LEU  72           HD22     LEU  72  54.265  -9.357 -11.645
  566   2HD2  LEU  72           HD21     LEU  72  53.252  -9.971 -10.339
  567   3HD2  LEU  72           HD23     LEU  72  52.513  -9.410 -11.840
  568    H    GLY  73           HN       GLY  73  56.865  -6.186 -10.335
  569   1HA   GLY  73           HA2      GLY  73  57.828  -6.292  -7.782
  570   2HA   GLY  73           HA1      GLY  73  58.750  -5.526  -9.078
  571    H    ARG  74           HN       ARG  74  57.051  -3.368  -9.600
  572    HA   ARG  74           HA       ARG  74  57.303  -1.079  -8.875
  573   1HB   ARG  74           HB2      ARG  74  55.326  -0.611  -7.452
  574   2HB   ARG  74           HB1      ARG  74  54.945  -1.687  -8.792
  575   1HG   ARG  74           HG2      ARG  74  54.202  -3.231  -7.345
  576   2HG   ARG  74           HG1      ARG  74  55.793  -3.297  -6.580
  577   1HD   ARG  74           HD2      ARG  74  54.458  -2.617  -4.794
  578   2HD   ARG  74           HD1      ARG  74  54.987  -1.059  -5.430
  579    HE   ARG  74           HE       ARG  74  52.292  -1.834  -5.266
  580   1HH1  ARG  74           HH21     ARG  74  52.354  -2.518  -8.093
  581   2HH1  ARG  74           HH22     ARG  74  52.125  -0.999  -8.892
  582   1HH2  ARG  74           HH12     ARG  74  52.934   0.892  -6.100
  583   2HH2  ARG  74           HH11     ARG  74  52.454   0.932  -7.764
   
  No H/Q in entry =         583
  Start of MODEL   17
    1    H    MET   1           HN       MET   1  56.173 -10.295 -10.634
    2    HA   MET   1           HA       MET   1  55.943 -10.448  -7.828
    3   1HB   MET   1           HB2      MET   1  57.899  -9.047  -9.626
    4   2HB   MET   1           HB1      MET   1  58.015  -8.931  -7.869
    5   1HG   MET   1           HG2      MET   1  59.360 -10.793  -8.308
    6   2HG   MET   1           HG1      MET   1  57.805 -11.546  -7.954
    7   1HE   MET   1           HE2      MET   1  60.650 -11.828  -9.753
    8   2HE   MET   1           HE1      MET   1  60.356 -12.128 -11.464
    9   3HE   MET   1           HE3      MET   1  60.339 -10.475 -10.836
   10    H    LEU   2           HN       LEU   2  53.781  -9.202  -7.757
   11    HA   LEU   2           HA       LEU   2  53.942  -6.305  -7.911
   12   1HB   LEU   2           HB2      LEU   2  51.826  -7.762  -8.139
   13   2HB   LEU   2           HB1      LEU   2  51.875  -7.875  -6.379
   14    HG   LEU   2           HG       LEU   2  52.193  -5.212  -6.650
   15   1HD1  LEU   2           HD12     LEU   2  51.237  -6.199  -9.230
   16   2HD1  LEU   2           HD11     LEU   2  50.143  -5.010  -8.522
   17   3HD1  LEU   2           HD13     LEU   2  51.835  -4.598  -8.796
   18   1HD2  LEU   2           HD22     LEU   2  49.557  -6.717  -6.736
   19   2HD2  LEU   2           HD21     LEU   2  50.483  -6.335  -5.285
   20   3HD2  LEU   2           HD23     LEU   2  49.750  -5.039  -6.229
   21    H    GLN   3           HN       GLN   3  55.536  -8.274  -5.933
   22    HA   GLN   3           HA       GLN   3  56.066  -6.354  -3.917
   23   1HB   GLN   3           HB2      GLN   3  54.811  -7.321  -2.014
   24   2HB   GLN   3           HB1      GLN   3  53.721  -6.730  -3.269
   25   1HG   GLN   3           HG2      GLN   3  53.193  -8.889  -4.020
   26   2HG   GLN   3           HG1      GLN   3  54.625  -9.600  -3.278
   27   1HE2  GLN   3           HE22     GLN   3  51.277  -8.963  -1.004
   28   2HE2  GLN   3           HE21     GLN   3  51.407  -8.241  -2.536
   29    H    LYS   4           HN       LYS   4  57.849  -7.906  -5.186
   30    HA   LYS   4           HA       LYS   4  58.353 -10.270  -3.461
   31   1HB   LYS   4           HB2      LYS   4  58.810  -9.653  -6.244
   32   2HB   LYS   4           HB1      LYS   4  60.332 -10.089  -5.469
   33   1HG   LYS   4           HG2      LYS   4  57.778 -11.715  -5.543
   34   2HG   LYS   4           HG1      LYS   4  59.328 -12.129  -6.267
   35   1HD   LYS   4           HD2      LYS   4  58.553 -12.125  -3.354
   36   2HD   LYS   4           HD1      LYS   4  59.307 -13.408  -4.294
   37   1HE   LYS   4           HE2      LYS   4  61.189 -11.463  -4.546
   38   2HE   LYS   4           HE1      LYS   4  60.548 -11.080  -2.947
   39   1HZ   LYS   4           HZ1      LYS   4  61.474 -13.767  -3.806
   40   2HZ   LYS   4           HZ3      LYS   4  62.382 -12.682  -2.870
   41   3HZ   LYS   4           HZ2      LYS   4  60.940 -13.333  -2.252
   42    H    LYS   5           HN       LYS   5  60.433  -7.801  -5.009
   43    HA   LYS   5           HA       LYS   5  62.508  -8.113  -3.082
   44   1HB   LYS   5           HB2      LYS   5  61.915  -6.294  -5.316
   45   2HB   LYS   5           HB1      LYS   5  62.879  -5.563  -4.031
   46   1HG   LYS   5           HG2      LYS   5  64.641  -7.049  -4.315
   47   2HG   LYS   5           HG1      LYS   5  63.605  -8.308  -4.991
   48   1HD   LYS   5           HD2      LYS   5  64.040  -7.606  -7.081
   49   2HD   LYS   5           HD1      LYS   5  63.507  -5.974  -6.678
   50   1HE   LYS   5           HE2      LYS   5  65.788  -5.630  -5.595
   51   2HE   LYS   5           HE1      LYS   5  66.277  -7.146  -6.352
   52   1HZ   LYS   5           HZ2      LYS   5  65.123  -4.860  -7.849
   53   2HZ   LYS   5           HZ1      LYS   5  66.793  -5.116  -7.667
   54   3HZ   LYS   5           HZ3      LYS   5  65.847  -6.255  -8.493
   55    H    ILE   6           HN       ILE   6  59.494  -6.543  -2.847
   56    HA   ILE   6           HA       ILE   6  60.467  -4.784  -0.651
   57    HB   ILE   6           HB       ILE   6  57.624  -4.856  -1.617
   58   1HG1  ILE   6           HG12     ILE   6  59.298  -4.797  -3.570
   59   2HG1  ILE   6           HG11     ILE   6  58.126  -3.477  -3.491
   60   1HG2  ILE   6           HG22     ILE   6  59.322  -3.186   0.044
   61   2HG2  ILE   6           HG21     ILE   6  58.599  -2.246  -1.259
   62   3HG2  ILE   6           HG23     ILE   6  57.569  -3.147  -0.148
   63   1HD1  ILE   6           HD13     ILE   6  60.973  -3.370  -2.448
   64   2HD1  ILE   6           HD12     ILE   6  60.401  -2.623  -3.940
   65   3HD1  ILE   6           HD11     ILE   6  59.804  -2.051  -2.382
   66    H    GLU   7           HN       GLU   7  58.250  -7.491  -1.287
   67    HA   GLU   7           HA       GLU   7  57.219  -7.556   1.419
   68   1HB   GLU   7           HB2      GLU   7  56.176  -9.605   0.813
   69   2HB   GLU   7           HB1      GLU   7  56.188  -8.664  -0.678
   70   1HG   GLU   7           HG2      GLU   7  57.003 -10.726  -1.417
   71   2HG   GLU   7           HG1      GLU   7  58.499  -9.852  -1.083
   72    H    GLU   8           HN       GLU   8  60.122  -8.520  -0.127
   73    HA   GLU   8           HA       GLU   8  60.881 -10.542   1.816
   74   1HB   GLU   8           HB2      GLU   8  63.001 -10.561   0.671
   75   2HB   GLU   8           HB1      GLU   8  61.754 -10.379  -0.565
   76   1HG   GLU   8           HG2      GLU   8  62.108  -7.946  -0.604
   77   2HG   GLU   8           HG1      GLU   8  63.324  -8.103   0.677
   78    H    ILE   9           HN       ILE   9  61.613  -7.095   1.285
   79    HA   ILE   9           HA       ILE   9  63.412  -6.936   3.554
   80    HB   ILE   9           HB       ILE   9  63.667  -5.308   1.778
   81   1HG1  ILE   9           HG12     ILE   9  63.787  -3.317   3.065
   82   2HG1  ILE   9           HG11     ILE   9  62.391  -3.766   4.041
   83   1HG2  ILE   9           HG21     ILE   9  60.792  -4.591   2.405
   84   2HG2  ILE   9           HG23     ILE   9  61.845  -3.648   1.350
   85   3HG2  ILE   9           HG22     ILE   9  61.401  -5.295   0.907
   86   1HD1  ILE   9           HD13     ILE   9  64.612  -5.701   4.176
   87   2HD1  ILE   9           HD12     ILE   9  65.010  -4.106   4.809
   88   3HD1  ILE   9           HD11     ILE   9  63.648  -5.001   5.477
   89    H    ALA  10           HN       ALA  10  59.998  -6.549   3.008
   90    HA   ALA  10           HA       ALA  10  59.398  -5.266   5.531
   91   1HB   ALA  10           HB2      ALA  10  57.967  -6.195   3.205
   92   2HB   ALA  10           HB1      ALA  10  57.158  -6.751   4.671
   93   3HB   ALA  10           HB3      ALA  10  57.453  -5.030   4.426
   94    H    ALA  11           HN       ALA  11  59.255  -8.601   4.323
   95    HA   ALA  11           HA       ALA  11  58.378  -9.718   6.841
   96   1HB   ALA  11           HB2      ALA  11  59.434 -10.819   4.257
   97   2HB   ALA  11           HB1      ALA  11  59.323 -11.872   5.668
   98   3HB   ALA  11           HB3      ALA  11  57.873 -11.097   5.029
   99    H    LYS  12           HN       LYS  12  61.508  -8.955   5.419
  100    HA   LYS  12           HA       LYS  12  62.879 -10.538   7.510
  101   1HB   LYS  12           HB2      LYS  12  64.951  -9.891   6.432
  102   2HB   LYS  12           HB1      LYS  12  63.809 -10.393   5.186
  103   1HG   LYS  12           HG2      LYS  12  64.304  -8.420   4.199
  104   2HG   LYS  12           HG1      LYS  12  63.256  -7.709   5.427
  105   1HD   LYS  12           HD2      LYS  12  65.020  -6.576   6.240
  106   2HD   LYS  12           HD1      LYS  12  65.796  -8.109   6.638
  107   1HE   LYS  12           HE2      LYS  12  67.161  -8.044   4.805
  108   2HE   LYS  12           HE1      LYS  12  65.920  -7.318   3.783
  109   1HZ   LYS  12           HZ1      LYS  12  66.426  -5.372   5.584
  110   2HZ   LYS  12           HZ3      LYS  12  67.963  -6.055   5.370
  111   3HZ   LYS  12           HZ2      LYS  12  67.106  -5.460   4.029
  112    H    TYR  13           HN       TYR  13  61.221  -8.537   8.545
  113    HA   TYR  13           HA       TYR  13  63.185  -6.505   9.497
  114   1HB   TYR  13           HB2      TYR  13  60.225  -6.474   9.083
  115   2HB   TYR  13           HB1      TYR  13  60.891  -5.499  10.391
  116    HD1  TYR  13           HD1      TYR  13  63.472  -4.638   9.409
  117    HD2  TYR  13           HD2      TYR  13  59.757  -5.025   7.299
  118    HE1  TYR  13           HE1      TYR  13  64.236  -2.948   7.763
  119    HE2  TYR  13           HE2      TYR  13  60.519  -3.338   5.648
  120    HH   TYR  13           HH       TYR  13  63.757  -2.298   5.444
  121    H    LYS  14           HN       LYS  14  63.519  -6.317  11.716
  122    HA   LYS  14           HA       LYS  14  62.743  -8.644  13.333
  123   1HB   LYS  14           HB2      LYS  14  64.784  -6.549  13.436
  124   2HB   LYS  14           HB1      LYS  14  64.052  -6.852  15.012
  125   1HG   LYS  14           HG2      LYS  14  64.674  -9.292  13.475
  126   2HG   LYS  14           HG1      LYS  14  66.087  -8.346  13.945
  127   1HD   LYS  14           HD2      LYS  14  64.037  -8.688  16.053
  128   2HD   LYS  14           HD1      LYS  14  64.888 -10.159  15.578
  129   1HE   LYS  14           HE2      LYS  14  66.788  -8.015  15.795
  130   2HE   LYS  14           HE1      LYS  14  65.831  -8.087  17.275
  131   1HZ   LYS  14           HZ2      LYS  14  66.865 -10.575  16.104
  132   2HZ   LYS  14           HZ1      LYS  14  67.915  -9.584  16.999
  133   3HZ   LYS  14           HZ3      LYS  14  66.517 -10.209  17.727
  134    H    HIS  15           HN       HIS  15  60.484  -7.162  12.625
  135    HA   HIS  15           HA       HIS  15  59.288  -6.664  15.176
  136   1HB   HIS  15           HB2      HIS  15  60.760  -4.468  14.077
  137   2HB   HIS  15           HB1      HIS  15  59.043  -4.075  14.002
  138    HD1  HIS  15           HD1      HIS  15  61.859  -4.489  16.365
  139    HD2  HIS  15           HD2      HIS  15  57.709  -4.169  16.599
  140    HE1  HIS  15           HE1      HIS  15  61.313  -4.005  18.791
  141    H    SER  16           HN       SER  16  57.387  -7.606  14.594
  142    HA   SER  16           HA       SER  16  56.211  -7.885  12.119
  143   1HB   SER  16           HB2      SER  16  55.358  -8.147  14.800
  144   2HB   SER  16           HB1      SER  16  54.114  -7.216  13.971
  145    HG   SER  16           HG       SER  16  54.573  -8.980  12.260
  146    H    VAL  17           HN       VAL  17  55.825  -4.956  14.182
  147    HA   VAL  17           HA       VAL  17  53.931  -3.645  12.526
  148    HB   VAL  17           HB       VAL  17  56.052  -2.548  14.386
  149   1HG1  VAL  17           HG13     VAL  17  53.914  -1.189  12.757
  150   2HG1  VAL  17           HG12     VAL  17  54.430  -0.510  14.300
  151   3HG1  VAL  17           HG11     VAL  17  55.595  -0.711  12.992
  152   1HG2  VAL  17           HG22     VAL  17  53.083  -3.107  14.620
  153   2HG2  VAL  17           HG21     VAL  17  54.389  -3.830  15.560
  154   3HG2  VAL  17           HG23     VAL  17  53.972  -2.132  15.789
  155    H    VAL  18           HN       VAL  18  57.482  -3.685  12.381
  156    HA   VAL  18           HA       VAL  18  57.850  -1.631  10.465
  157    HB   VAL  18           HB       VAL  18  59.410  -4.227  10.512
  158   1HG1  VAL  18           HG12     VAL  18  59.757  -2.328   8.776
  159   2HG1  VAL  18           HG11     VAL  18  60.456  -1.438  10.129
  160   3HG1  VAL  18           HG13     VAL  18  61.173  -2.963   9.615
  161   1HG2  VAL  18           HG22     VAL  18  58.949  -2.715  12.758
  162   2HG2  VAL  18           HG21     VAL  18  60.387  -3.694  12.483
  163   3HG2  VAL  18           HG23     VAL  18  60.411  -1.975  12.116
  164    H    LYS  19           HN       LYS  19  56.461  -4.779  10.191
  165    HA   LYS  19           HA       LYS  19  56.846  -5.236   7.397
  166   1HB   LYS  19           HB2      LYS  19  55.991  -6.945   9.014
  167   2HB   LYS  19           HB1      LYS  19  54.469  -6.057   9.097
  168   1HG   LYS  19           HG2      LYS  19  54.242  -6.316   6.615
  169   2HG   LYS  19           HG1      LYS  19  55.683  -7.332   6.629
  170   1HD   LYS  19           HD2      LYS  19  53.035  -7.873   7.990
  171   2HD   LYS  19           HD1      LYS  19  53.802  -8.818   6.714
  172   1HE   LYS  19           HE2      LYS  19  55.777  -8.872   8.559
  173   2HE   LYS  19           HE1      LYS  19  54.378  -8.756   9.626
  174   1HZ   LYS  19           HZ1      LYS  19  53.544 -10.587   7.880
  175   2HZ   LYS  19           HZ3      LYS  19  55.207 -10.920   7.887
  176   3HZ   LYS  19           HZ2      LYS  19  54.326 -10.966   9.340
  177    H    LYS  20           HN       LYS  20  54.084  -3.758   9.145
  178    HA   LYS  20           HA       LYS  20  52.625  -3.033   6.800
  179   1HB   LYS  20           HB2      LYS  20  51.451  -2.965   8.870
  180   2HB   LYS  20           HB1      LYS  20  52.665  -1.921   9.609
  181   1HG   LYS  20           HG2      LYS  20  51.566  -0.091   8.900
  182   2HG   LYS  20           HG1      LYS  20  51.662  -0.648   7.228
  183   1HD   LYS  20           HD2      LYS  20  49.315  -0.357   7.910
  184   2HD   LYS  20           HD1      LYS  20  49.661  -2.058   7.593
  185   1HE   LYS  20           HE2      LYS  20  48.542  -2.184   9.638
  186   2HE   LYS  20           HE1      LYS  20  50.226  -2.135  10.156
  187   1HZ   LYS  20           HZ1      LYS  20  49.515   0.487   9.897
  188   2HZ   LYS  20           HZ3      LYS  20  48.142  -0.232  10.588
  189   3HZ   LYS  20           HZ2      LYS  20  49.652  -0.376  11.355
  190    H    CYS  21           HN       CYS  21  54.954  -1.203   8.778
  191    HA   CYS  21           HA       CYS  21  54.884   1.264   7.459
  192   1HB   CYS  21           HB2      CYS  21  57.189  -0.272   8.679
  193   2HB   CYS  21           HB1      CYS  21  57.364   1.374   8.078
  194    H    CYS  22           HN       CYS  22  56.796  -1.613   6.611
  195    HA   CYS  22           HA       CYS  22  57.930  -0.440   4.217
  196   1HB   CYS  22           HB2      CYS  22  59.125  -2.257   5.171
  197   2HB   CYS  22           HB1      CYS  22  57.679  -3.254   5.295
  198    H    TYR  23           HN       TYR  23  54.976  -2.110   5.027
  199    HA   TYR  23           HA       TYR  23  54.193  -2.948   2.432
  200   1HB   TYR  23           HB2      TYR  23  52.935  -2.597   5.021
  201   2HB   TYR  23           HB1      TYR  23  51.845  -2.157   3.719
  202    HD1  TYR  23           HD2      TYR  23  51.718  -3.771   1.684
  203    HD2  TYR  23           HD1      TYR  23  53.250  -4.809   5.549
  204    HE1  TYR  23           HE2      TYR  23  51.364  -6.175   1.173
  205    HE2  TYR  23           HE1      TYR  23  52.903  -7.176   5.039
  206    HH   TYR  23           HH       TYR  23  52.615  -8.677   3.241
  207    H    ASP  24           HN       ASP  24  53.338   0.049   4.200
  208    HA   ASP  24           HA       ASP  24  52.091   1.318   1.946
  209   1HB   ASP  24           HB2      ASP  24  53.487   2.882   4.098
  210   2HB   ASP  24           HB1      ASP  24  51.964   3.232   3.289
  211    H    GLY  25           HN       GLY  25  55.379   1.511   3.317
  212   1HA   GLY  25           HA2      GLY  25  56.566   3.428   1.724
  213   2HA   GLY  25           HA1      GLY  25  57.402   1.932   2.160
  214    H    ALA  26           HN       ALA  26  56.236  -0.020   0.795
  215    HA   ALA  26           HA       ALA  26  57.031   0.415  -1.933
  216   1HB   ALA  26           HB1      ALA  26  56.295  -1.795  -0.323
  217   2HB   ALA  26           HB3      ALA  26  55.180  -1.787  -1.689
  218   3HB   ALA  26           HB2      ALA  26  56.920  -1.835  -1.972
  219    H    CYS  27           HN       CYS  27  53.916   0.545  -0.261
  220    HA   CYS  27           HA       CYS  27  52.454   0.944  -2.790
  221   1HB   CYS  27           HB2      CYS  27  51.680   0.754   0.112
  222   2HB   CYS  27           HB1      CYS  27  50.538   1.387  -1.073
  223    HG   CYS  27           HG       CYS  27  50.576  -1.377  -0.714
  224    H    VAL  28           HN       VAL  28  54.494   2.892  -1.365
  225    HA   VAL  28           HA       VAL  28  53.626   5.249  -0.429
  226    HB   VAL  28           HB       VAL  28  55.880   5.186  -1.135
  227   1HG1  VAL  28           HG12     VAL  28  54.828   4.684  -3.935
  228   2HG1  VAL  28           HG11     VAL  28  56.527   4.893  -3.515
  229   3HG1  VAL  28           HG13     VAL  28  55.632   3.503  -2.900
  230   1HG2  VAL  28           HG22     VAL  28  54.720   7.412  -1.473
  231   2HG2  VAL  28           HG21     VAL  28  56.165   7.187  -2.459
  232   3HG2  VAL  28           HG23     VAL  28  54.567   6.998  -3.179
  233    H    ASN  29           HN       ASN  29  52.525   7.132  -1.165
  234    HA   ASN  29           HA       ASN  29  50.622   6.631  -3.374
  235   1HB   ASN  29           HB2      ASN  29  50.380   7.883  -0.909
  236   2HB   ASN  29           HB1      ASN  29  50.449   9.233  -2.043
  237   1HD2  ASN  29           HD22     ASN  29  46.887   8.232  -1.906
  238   2HD2  ASN  29           HD21     ASN  29  48.011   8.945  -0.854
  239    H    ASN  30           HN       ASN  30  53.077   9.056  -2.440
  240    HA   ASN  30           HA       ASN  30  52.945  10.114  -5.227
  241   1HB   ASN  30           HB2      ASN  30  52.703  11.741  -3.334
  242   2HB   ASN  30           HB1      ASN  30  54.334  11.314  -2.813
  243   1HD2  ASN  30           HD22     ASN  30  55.870  13.422  -5.173
  244   2HD2  ASN  30           HD21     ASN  30  56.026  12.466  -3.779
  245    H    ASP  31           HN       ASP  31  54.811  10.090  -6.527
  246    HA   ASP  31           HA       ASP  31  56.629   8.019  -6.393
  247   1HB   ASP  31           HB2      ASP  31  56.614  10.675  -7.684
  248   2HB   ASP  31           HB1      ASP  31  58.218   9.971  -7.470
  249    H    GLU  32           HN       GLU  32  57.744  11.310  -5.583
  250    HA   GLU  32           HA       GLU  32  59.861  10.234  -3.892
  251   1HB   GLU  32           HB2      GLU  32  59.432  12.625  -5.247
  252   2HB   GLU  32           HB1      GLU  32  59.275  13.073  -3.549
  253   1HG   GLU  32           HG2      GLU  32  61.459  12.448  -3.039
  254   2HG   GLU  32           HG1      GLU  32  61.554  11.312  -4.385
  255    H    THR  33           HN       THR  33  59.644  12.399  -1.900
  256    HA   THR  33           HA       THR  33  59.018  11.787   0.444
  257    HB   THR  33           HB       THR  33  57.193  13.531   0.784
  258    HG1  THR  33           HG1      THR  33  57.505  13.566  -2.022
  259   1HG2  THR  33           HG23     THR  33  59.712  13.930   0.760
  260   2HG2  THR  33           HG22     THR  33  59.514  14.484  -0.902
  261   3HG2  THR  33           HG21     THR  33  58.708  15.338   0.415
  262    H    CYS  34           HN       CYS  34  58.262   9.500  -0.052
  263    HA   CYS  34           HA       CYS  34  55.601   8.826  -0.671
  264   1HB   CYS  34           HB2      CYS  34  57.288   7.367   1.373
  265   2HB   CYS  34           HB1      CYS  34  56.057   6.687   0.315
  266    H    GLU  35           HN       GLU  35  56.423   8.134   2.702
  267    HA   GLU  35           HA       GLU  35  53.843   8.959   3.636
  268   1HB   GLU  35           HB2      GLU  35  56.391   8.712   5.262
  269   2HB   GLU  35           HB1      GLU  35  54.748   8.640   5.882
  270   1HG   GLU  35           HG2      GLU  35  55.559   6.729   3.722
  271   2HG   GLU  35           HG1      GLU  35  56.056   6.410   5.384
  272    H    GLN  36           HN       GLN  36  56.965  10.618   3.395
  273    HA   GLN  36           HA       GLN  36  56.473  12.921   4.928
  274   1HB   GLN  36           HB2      GLN  36  58.138  12.239   2.609
  275   2HB   GLN  36           HB1      GLN  36  57.613  13.923   2.589
  276   1HG   GLN  36           HG2      GLN  36  58.560  14.346   4.734
  277   2HG   GLN  36           HG1      GLN  36  58.804  12.629   5.047
  278   1HE2  GLN  36           HE22     GLN  36  61.532  14.683   2.814
  279   2HE2  GLN  36           HE21     GLN  36  60.086  15.426   3.304
  280    H    ARG  37           HN       ARG  37  55.237  11.879   1.854
  281    HA   ARG  37           HA       ARG  37  53.697  14.337   1.383
  282   1HB   ARG  37           HB2      ARG  37  54.597  13.060  -0.539
  283   2HB   ARG  37           HB1      ARG  37  53.658  11.652  -0.041
  284   1HG   ARG  37           HG2      ARG  37  52.084  12.488  -1.452
  285   2HG   ARG  37           HG1      ARG  37  51.719  13.576  -0.112
  286   1HD   ARG  37           HD2      ARG  37  52.533  15.373  -1.218
  287   2HD   ARG  37           HD1      ARG  37  53.978  14.500  -1.727
  288    HE   ARG  37           HE       ARG  37  52.927  14.175  -3.802
  289   1HH1  ARG  37           HH21     ARG  37  50.872  12.487  -3.823
  290   2HH1  ARG  37           HH22     ARG  37  49.396  13.395  -3.777
  291   1HH2  ARG  37           HH12     ARG  37  50.911  16.304  -2.652
  292   2HH2  ARG  37           HH11     ARG  37  49.418  15.555  -3.114
  293    H    ALA  38           HN       ALA  38  53.245  11.043   2.591
  294    HA   ALA  38           HA       ALA  38  50.500  10.725   2.680
  295   1HB   ALA  38           HB1      ALA  38  52.664  10.053   4.654
  296   2HB   ALA  38           HB3      ALA  38  50.986   9.842   5.140
  297   3HB   ALA  38           HB2      ALA  38  51.619   8.968   3.748
  298    H    ALA  39           HN       ALA  39  52.423  12.426   5.110
  299    HA   ALA  39           HA       ALA  39  50.797  14.734   5.270
  300   1HB   ALA  39           HB1      ALA  39  49.800  12.397   6.798
  301   2HB   ALA  39           HB3      ALA  39  49.933  13.889   7.728
  302   3HB   ALA  39           HB2      ALA  39  48.938  13.843   6.272
  303    H    ARG  40           HN       ARG  40  52.426  12.342   7.241
  304    HA   ARG  40           HA       ARG  40  54.757  13.848   7.784
  305   1HB   ARG  40           HB2      ARG  40  52.455  14.525   9.467
  306   2HB   ARG  40           HB1      ARG  40  53.852  13.978  10.396
  307   1HG   ARG  40           HG2      ARG  40  55.211  15.717   9.641
  308   2HG   ARG  40           HG1      ARG  40  54.246  15.971   8.186
  309   1HD   ARG  40           HD2      ARG  40  52.889  17.446   9.230
  310   2HD   ARG  40           HD1      ARG  40  52.695  16.389  10.627
  311    HE   ARG  40           HE       ARG  40  54.711  18.519  10.335
  312   1HH1  ARG  40           HH12     ARG  40  52.785  16.964  12.508
  313   2HH1  ARG  40           HH11     ARG  40  53.988  16.749  13.735
  314   1HH2  ARG  40           HH21     ARG  40  56.620  17.715  11.695
  315   2HH2  ARG  40           HH22     ARG  40  56.160  17.175  13.275
  316    H    ILE  41           HN       ILE  41  55.964  11.970   7.855
  317    HA   ILE  41           HA       ILE  41  55.054   9.460   8.668
  318    HB   ILE  41           HB       ILE  41  57.292   9.856   7.598
  319   1HG1  ILE  41           HG12     ILE  41  58.395   8.047   8.911
  320   2HG1  ILE  41           HG11     ILE  41  57.173   8.257  10.166
  321   1HG2  ILE  41           HG21     ILE  41  57.806  11.710   9.371
  322   2HG2  ILE  41           HG23     ILE  41  58.333  10.359  10.373
  323   3HG2  ILE  41           HG22     ILE  41  59.116  10.665   8.824
  324   1HD1  ILE  41           HD11     ILE  41  56.349   7.792   7.306
  325   2HD1  ILE  41           HD13     ILE  41  56.748   6.432   8.356
  326   3HD1  ILE  41           HD12     ILE  41  55.422   7.515   8.781
  327    H    SER  42           HN       SER  42  53.796   9.402  10.427
  328    HA   SER  42           HA       SER  42  55.250   9.721  12.950
  329   1HB   SER  42           HB2      SER  42  53.787  11.201  13.928
  330   2HB   SER  42           HB1      SER  42  53.667  11.750  12.255
  331    HG   SER  42           HG       SER  42  51.833  10.460  13.851
  332    H    LEU  43           HN       LEU  43  54.862   7.372  11.788
  333    HA   LEU  43           HA       LEU  43  52.613   6.269  13.357
  334   1HB   LEU  43           HB2      LEU  43  53.944   5.012  10.937
  335   2HB   LEU  43           HB1      LEU  43  52.514   4.408  11.775
  336    HG   LEU  43           HG       LEU  43  52.064   7.153  11.091
  337   1HD1  LEU  43           HD13     LEU  43  53.799   6.777   9.355
  338   2HD1  LEU  43           HD12     LEU  43  52.881   5.394   8.757
  339   3HD1  LEU  43           HD11     LEU  43  52.202   7.018   8.645
  340   1HD2  LEU  43           HD21     LEU  43  50.636   4.834  11.276
  341   2HD2  LEU  43           HD23     LEU  43  50.031   6.297  10.498
  342   3HD2  LEU  43           HD22     LEU  43  50.746   5.013   9.524
  343    H    GLY  44           HN       GLY  44  55.916   6.618  13.229
  344   1HA   GLY  44           HA2      GLY  44  56.706   5.366  15.477
  345   2HA   GLY  44           HA1      GLY  44  56.540   3.974  14.408
  346    HA   PRO  45           HA       PRO  45  60.761   6.107  13.752
  347   1HB   PRO  45           HB2      PRO  45  62.276   4.385  15.207
  348   2HB   PRO  45           HB1      PRO  45  61.538   5.832  15.904
  349   1HG   PRO  45           HG2      PRO  45  60.748   2.991  16.207
  350   2HG   PRO  45           HG1      PRO  45  60.609   4.332  17.354
  351   1HD   PRO  45           HD2      PRO  45  58.530   3.298  15.837
  352   2HD   PRO  45           HD1      PRO  45  58.526   4.876  16.624
  353    H    ARG  46           HN       ARG  46  60.478   2.585  14.356
  354    HA   ARG  46           HA       ARG  46  62.148   1.686  12.298
  355   1HB   ARG  46           HB2      ARG  46  61.222  -0.411  12.652
  356   2HB   ARG  46           HB1      ARG  46  60.707   0.398  14.127
  357   1HG   ARG  46           HG2      ARG  46  59.008   0.208  11.619
  358   2HG   ARG  46           HG1      ARG  46  58.867  -0.882  12.994
  359   1HD   ARG  46           HD2      ARG  46  58.825   1.937  13.783
  360   2HD   ARG  46           HD1      ARG  46  57.503   1.510  12.701
  361    HE   ARG  46           HE       ARG  46  56.560   0.554  14.633
  362   1HH1  ARG  46           HH21     ARG  46  57.974  -1.972  14.323
  363   2HH1  ARG  46           HH22     ARG  46  58.884  -2.116  15.789
  364   1HH2  ARG  46           HH12     ARG  46  58.587   1.238  16.616
  365   2HH2  ARG  46           HH11     ARG  46  59.232  -0.298  17.087
  366    H    CYS  47           HN       CYS  47  59.005   3.119  12.130
  367    HA   CYS  47           HA       CYS  47  58.212   2.284   9.490
  368   1HB   CYS  47           HB2      CYS  47  57.178   3.891  11.552
  369   2HB   CYS  47           HB1      CYS  47  57.406   4.994  10.190
  370    H    ILE  48           HN       ILE  48  59.532   5.396  10.598
  371    HA   ILE  48           HA       ILE  48  59.875   6.770   8.305
  372    HB   ILE  48           HB       ILE  48  61.120   6.731  10.862
  373   1HG1  ILE  48           HG12     ILE  48  61.776   9.126   9.579
  374   2HG1  ILE  48           HG11     ILE  48  60.297   8.582   8.785
  375   1HG2  ILE  48           HG22     ILE  48  63.062   6.959   8.568
  376   2HG2  ILE  48           HG21     ILE  48  63.340   7.778  10.103
  377   3HG2  ILE  48           HG23     ILE  48  63.220   6.022  10.054
  378   1HD1  ILE  48           HD12     ILE  48  60.479   8.451  11.776
  379   2HD1  ILE  48           HD11     ILE  48  60.148  10.001  11.002
  380   3HD1  ILE  48           HD13     ILE  48  59.055   8.640  10.753
  381    H    LYS  49           HN       LYS  49  62.477   4.499   9.350
  382    HA   LYS  49           HA       LYS  49  63.605   4.557   6.654
  383   1HB   LYS  49           HB2      LYS  49  65.393   3.260   7.556
  384   2HB   LYS  49           HB1      LYS  49  64.947   4.419   8.809
  385   1HG   LYS  49           HG2      LYS  49  63.500   2.671   9.853
  386   2HG   LYS  49           HG1      LYS  49  64.082   1.517   8.653
  387   1HD   LYS  49           HD2      LYS  49  66.220   1.446   9.555
  388   2HD   LYS  49           HD1      LYS  49  66.090   3.060  10.253
  389   1HE   LYS  49           HE2      LYS  49  66.012   1.345  12.019
  390   2HE   LYS  49           HE1      LYS  49  64.477   2.208  11.920
  391   1HZ   LYS  49           HZ1      LYS  49  63.838   0.322  10.315
  392   2HZ   LYS  49           HZ3      LYS  49  65.129  -0.522  11.021
  393   3HZ   LYS  49           HZ2      LYS  49  63.833   0.007  11.984
  394    H    ALA  50           HN       ALA  50  61.400   2.455   8.369
  395    HA   ALA  50           HA       ALA  50  61.949   0.140   6.726
  396   1HB   ALA  50           HB3      ALA  50  59.481   0.848   8.349
  397   2HB   ALA  50           HB2      ALA  50  59.813  -0.733   7.640
  398   3HB   ALA  50           HB1      ALA  50  60.848  -0.106   8.921
  399    H    PHE  51           HN       PHE  51  59.134   2.294   6.897
  400    HA   PHE  51           HA       PHE  51  58.127   1.550   4.379
  401   1HB   PHE  51           HB2      PHE  51  56.491   3.091   4.752
  402   2HB   PHE  51           HB1      PHE  51  57.122   3.035   6.391
  403    HD1  PHE  51           HD2      PHE  51  57.471   4.870   3.133
  404    HD2  PHE  51           HD1      PHE  51  57.978   4.993   7.384
  405    HE1  PHE  51           HE2      PHE  51  58.041   7.282   3.010
  406    HE2  PHE  51           HE1      PHE  51  58.532   7.393   7.254
  407    HZ   PHE  51           HZ       PHE  51  58.561   8.541   5.081
  408    H    THR  52           HN       THR  52  60.133   4.362   5.338
  409    HA   THR  52           HA       THR  52  60.276   5.514   2.775
  410    HB   THR  52           HB       THR  52  62.421   5.429   4.913
  411    HG1  THR  52           HG1      THR  52  61.565   7.542   5.298
  412   1HG2  THR  52           HG23     THR  52  62.338   6.597   2.211
  413   2HG2  THR  52           HG22     THR  52  62.797   7.732   3.480
  414   3HG2  THR  52           HG21     THR  52  63.723   6.250   3.246
  415    H    GLU  53           HN       GLU  53  62.218   2.918   4.178
  416    HA   GLU  53           HA       GLU  53  64.058   2.618   2.028
  417   1HB   GLU  53           HB2      GLU  53  64.554   1.659   4.178
  418   2HB   GLU  53           HB1      GLU  53  63.090   0.682   4.107
  419   1HG   GLU  53           HG2      GLU  53  65.102  -0.644   3.520
  420   2HG   GLU  53           HG1      GLU  53  63.960  -0.547   2.180
  421    H    CYS  54           HN       CYS  54  60.944   1.025   2.696
  422    HA   CYS  54           HA       CYS  54  61.164  -0.689   0.354
  423   1HB   CYS  54           HB2      CYS  54  58.959  -0.077   2.315
  424   2HB   CYS  54           HB1      CYS  54  58.663  -1.062   0.880
  425    H    CYS  55           HN       CYS  55  59.988   2.493   1.019
  426    HA   CYS  55           HA       CYS  55  58.415   2.605  -1.461
  427   1HB   CYS  55           HB2      CYS  55  57.454   4.454  -0.551
  428   2HB   CYS  55           HB1      CYS  55  58.215   3.930   0.940
  429    H    VAL  56           HN       VAL  56  61.611   3.311  -0.333
  430    HA   VAL  56           HA       VAL  56  62.298   4.999  -2.635
  431    HB   VAL  56           HB       VAL  56  64.081   3.607  -0.600
  432   1HG1  VAL  56           HG11     VAL  56  64.594   5.146  -3.027
  433   2HG1  VAL  56           HG13     VAL  56  65.379   5.847  -1.612
  434   3HG1  VAL  56           HG12     VAL  56  65.701   4.172  -2.062
  435   1HG2  VAL  56           HG22     VAL  56  62.314   5.694  -0.155
  436   2HG2  VAL  56           HG21     VAL  56  63.740   5.341   0.817
  437   3HG2  VAL  56           HG23     VAL  56  63.832   6.529  -0.483
  438    H    VAL  57           HN       VAL  57  62.817   1.668  -1.540
  439    HA   VAL  57           HA       VAL  57  64.327   0.885  -3.870
  440    HB   VAL  57           HB       VAL  57  63.798  -1.418  -3.124
  441   1HG1  VAL  57           HG12     VAL  57  64.536   0.539  -0.930
  442   2HG1  VAL  57           HG11     VAL  57  64.727  -1.208  -0.787
  443   3HG1  VAL  57           HG13     VAL  57  65.644  -0.319  -2.002
  444   1HG2  VAL  57           HG21     VAL  57  61.981   0.023  -1.174
  445   2HG2  VAL  57           HG23     VAL  57  61.488  -1.101  -2.438
  446   3HG2  VAL  57           HG22     VAL  57  62.407  -1.684  -1.051
  447    H    ALA  58           HN       ALA  58  60.968   0.755  -2.815
  448    HA   ALA  58           HA       ALA  58  59.892  -0.404  -5.203
  449   1HB   ALA  58           HB1      ALA  58  58.624   1.531  -3.235
  450   2HB   ALA  58           HB3      ALA  58  57.750   0.541  -4.404
  451   3HB   ALA  58           HB2      ALA  58  58.617  -0.225  -3.071
  452    H    SER  59           HN       SER  59  60.986   2.706  -4.211
  453    HA   SER  59           HA       SER  59  59.736   4.395  -6.110
  454   1HB   SER  59           HB2      SER  59  61.588   4.613  -4.093
  455   2HB   SER  59           HB1      SER  59  62.480   5.115  -5.522
  456    HG   SER  59           HG       SER  59  60.253   6.286  -5.842
  457    H    GLN  60           HN       GLN  60  63.096   3.282  -6.170
  458    HA   GLN  60           HA       GLN  60  63.621   3.863  -8.891
  459   1HB   GLN  60           HB2      GLN  60  64.914   2.525  -6.676
  460   2HB   GLN  60           HB1      GLN  60  65.177   1.635  -8.177
  461   1HG   GLN  60           HG2      GLN  60  66.368   3.359  -9.143
  462   2HG   GLN  60           HG1      GLN  60  65.445   4.598  -8.288
  463   1HE2  GLN  60           HE22     GLN  60  67.478   4.340  -5.293
  464   2HE2  GLN  60           HE21     GLN  60  65.868   4.579  -5.775
  465    H    LEU  61           HN       LEU  61  62.087   1.134  -7.364
  466    HA   LEU  61           HA       LEU  61  62.329  -0.693  -9.574
  467   1HB   LEU  61           HB2      LEU  61  60.589  -0.496  -7.130
  468   2HB   LEU  61           HB1      LEU  61  60.290  -1.741  -8.333
  469    HG   LEU  61           HG       LEU  61  62.763  -1.323  -6.691
  470   1HD1  LEU  61           HD13     LEU  61  60.446  -3.032  -6.551
  471   2HD1  LEU  61           HD12     LEU  61  61.899  -4.010  -6.754
  472   3HD1  LEU  61           HD11     LEU  61  61.777  -2.883  -5.404
  473   1HD2  LEU  61           HD21     LEU  61  62.322  -2.952  -9.191
  474   2HD2  LEU  61           HD23     LEU  61  63.646  -1.845  -8.831
  475   3HD2  LEU  61           HD22     LEU  61  63.551  -3.404  -8.010
  476    H    ARG  62           HN       ARG  62  60.015   1.783  -8.594
  477    HA   ARG  62           HA       ARG  62  58.401   1.157 -10.992
  478   1HB   ARG  62           HB2      ARG  62  56.625   2.442 -10.013
  479   2HB   ARG  62           HB1      ARG  62  57.279   1.415  -8.739
  480   1HG   ARG  62           HG2      ARG  62  58.506   3.226  -7.780
  481   2HG   ARG  62           HG1      ARG  62  58.220   4.255  -9.183
  482   1HD   ARG  62           HD2      ARG  62  56.494   5.085  -7.955
  483   2HD   ARG  62           HD1      ARG  62  55.656   3.616  -8.446
  484    HE   ARG  62           HE       ARG  62  55.800   2.874  -6.220
  485   1HH1  ARG  62           HH12     ARG  62  57.252   5.905  -6.470
  486   2HH1  ARG  62           HH11     ARG  62  58.190   5.759  -5.022
  487   1HH2  ARG  62           HH21     ARG  62  57.388   2.424  -4.522
  488   2HH2  ARG  62           HH22     ARG  62  58.263   3.790  -3.917
  489    H    ALA  63           HN       ALA  63  60.987   3.102 -10.252
  490    HA   ALA  63           HA       ALA  63  60.047   5.511 -11.645
  491   1HB   ALA  63           HB1      ALA  63  62.468   4.681 -10.156
  492   2HB   ALA  63           HB3      ALA  63  62.746   5.817 -11.478
  493   3HB   ALA  63           HB2      ALA  63  61.634   6.234 -10.174
  494    H    ASN  64           HN       ASN  64  63.192   4.128 -12.341
  495    HA   ASN  64           HA       ASN  64  63.038   4.602 -15.125
  496   1HB   ASN  64           HB2      ASN  64  64.886   3.363 -13.288
  497   2HB   ASN  64           HB1      ASN  64  64.762   2.389 -14.755
  498   1HD2  ASN  64           HD22     ASN  64  67.273   5.204 -15.207
  499   2HD2  ASN  64           HD21     ASN  64  67.089   4.028 -13.997
  500    H    ILE  65           HN       ILE  65  61.577   2.109 -13.264
  501    HA   ILE  65           HA       ILE  65  61.307   0.335 -15.627
  502    HB   ILE  65           HB       ILE  65  59.985  -0.260 -13.010
  503   1HG1  ILE  65           HG12     ILE  65  62.174   0.560 -12.306
  504   2HG1  ILE  65           HG11     ILE  65  62.158  -1.199 -12.185
  505   1HG2  ILE  65           HG22     ILE  65  61.121  -1.704 -15.356
  506   2HG2  ILE  65           HG21     ILE  65  61.236  -2.509 -13.791
  507   3HG2  ILE  65           HG23     ILE  65  59.659  -2.041 -14.427
  508   1HD1  ILE  65           HD13     ILE  65  62.985  -0.262 -14.832
  509   2HD1  ILE  65           HD12     ILE  65  64.052   0.303 -13.546
  510   3HD1  ILE  65           HD11     ILE  65  63.765  -1.424 -13.759
  511    H    SER  66           HN       SER  66  58.954  -0.662 -15.744
  512    HA   SER  66           HA       SER  66  56.685   0.874 -14.997
  513   1HB   SER  66           HB2      SER  66  58.184   1.938 -17.246
  514   2HB   SER  66           HB1      SER  66  56.559   1.474 -17.739
  515    HG   SER  66           HG       SER  66  56.040   2.621 -15.595
  516    H    HIS  67           HN       HIS  67  57.545  -1.874 -15.340
  517    HA   HIS  67           HA       HIS  67  55.254  -2.834 -16.942
  518   1HB   HIS  67           HB2      HIS  67  58.000  -2.963 -17.846
  519   2HB   HIS  67           HB1      HIS  67  57.361  -4.587 -17.607
  520    HD1  HIS  67           HD1      HIS  67  56.531  -1.361 -19.432
  521    HD2  HIS  67           HD2      HIS  67  55.540  -5.409 -19.558
  522    HE1  HIS  67           HE1      HIS  67  55.126  -1.690 -21.513
  523    H    LYS  68           HN       LYS  68  56.028  -5.594 -16.812
  524    HA   LYS  68           HA       LYS  68  55.017  -6.612 -14.528
  525   1HB   LYS  68           HB2      LYS  68  57.300  -7.497 -16.220
  526   2HB   LYS  68           HB1      LYS  68  57.110  -8.305 -14.664
  527   1HG   LYS  68           HG2      LYS  68  54.577  -7.962 -16.113
  528   2HG   LYS  68           HG1      LYS  68  55.745  -8.969 -16.970
  529   1HD   LYS  68           HD2      LYS  68  55.771  -9.659 -14.176
  530   2HD   LYS  68           HD1      LYS  68  54.111  -9.712 -14.774
  531   1HE   LYS  68           HE2      LYS  68  55.038 -11.041 -16.765
  532   2HE   LYS  68           HE1      LYS  68  56.515 -11.219 -15.817
  533   1HZ   LYS  68           HZ2      LYS  68  54.067 -11.809 -14.393
  534   2HZ   LYS  68           HZ1      LYS  68  54.420 -12.877 -15.666
  535   3HZ   LYS  68           HZ3      LYS  68  55.544 -12.650 -14.415
  536    H    ASP  69           HN       ASP  69  58.334  -5.359 -14.734
  537    HA   ASP  69           HA       ASP  69  59.021  -5.881 -12.009
  538   1HB   ASP  69           HB2      ASP  69  60.126  -4.199 -14.229
  539   2HB   ASP  69           HB1      ASP  69  60.646  -3.842 -12.581
  540    H    MET  70           HN       MET  70  58.094  -2.864 -13.703
  541    HA   MET  70           HA       MET  70  57.677  -1.386 -11.250
  542   1HB   MET  70           HB2      MET  70  58.169  -0.293 -13.425
  543   2HB   MET  70           HB1      MET  70  56.613  -0.848 -14.041
  544   1HG   MET  70           HG2      MET  70  56.651   0.684 -11.475
  545   2HG   MET  70           HG1      MET  70  56.870   1.574 -12.981
  546   1HE   MET  70           HE3      MET  70  55.089   2.475 -11.427
  547   2HE   MET  70           HE2      MET  70  53.871   2.832 -12.649
  548   3HE   MET  70           HE1      MET  70  53.442   1.858 -11.245
  549    H    GLN  71           HN       GLN  71  55.219  -2.229 -13.725
  550    HA   GLN  71           HA       GLN  71  52.919  -1.814 -12.276
  551   1HB   GLN  71           HB2      GLN  71  52.871  -2.628 -14.587
  552   2HB   GLN  71           HB1      GLN  71  53.487  -4.196 -14.067
  553   1HG   GLN  71           HG2      GLN  71  51.345  -3.963 -12.419
  554   2HG   GLN  71           HG1      GLN  71  50.759  -3.061 -13.816
  555   1HE2  GLN  71           HE22     GLN  71  49.856  -6.128 -15.300
  556   2HE2  GLN  71           HE21     GLN  71  49.368  -4.580 -14.805
  557    H    LEU  72           HN       LEU  72  55.034  -4.692 -12.025
  558    HA   LEU  72           HA       LEU  72  53.397  -5.567  -9.677
  559   1HB   LEU  72           HB2      LEU  72  54.717  -6.965 -11.827
  560   2HB   LEU  72           HB1      LEU  72  55.360  -7.513 -10.277
  561    HG   LEU  72           HG       LEU  72  53.060  -7.910  -9.490
  562   1HD1  LEU  72           HD11     LEU  72  52.089  -6.085 -10.905
  563   2HD1  LEU  72           HD13     LEU  72  52.276  -7.136 -12.308
  564   3HD1  LEU  72           HD12     LEU  72  51.188  -7.598 -10.998
  565   1HD2  LEU  72           HD23     LEU  72  54.409  -9.325 -11.581
  566   2HD2  LEU  72           HD22     LEU  72  53.296  -9.973 -10.377
  567   3HD2  LEU  72           HD21     LEU  72  52.679  -9.378 -11.919
  568    H    GLY  73           HN       GLY  73  56.813  -6.082 -10.429
  569   1HA   GLY  73           HA2      GLY  73  57.914  -6.110  -7.942
  570   2HA   GLY  73           HA1      GLY  73  58.743  -5.341  -9.297
  571    H    ARG  74           HN       ARG  74  56.631  -3.298  -9.597
  572    HA   ARG  74           HA       ARG  74  56.226  -1.113  -8.828
  573   1HB   ARG  74           HB2      ARG  74  56.536  -2.459  -6.125
  574   2HB   ARG  74           HB1      ARG  74  55.836  -0.864  -6.399
  575   1HG   ARG  74           HG2      ARG  74  54.563  -2.739  -8.156
  576   2HG   ARG  74           HG1      ARG  74  54.519  -3.383  -6.514
  577   1HD   ARG  74           HD2      ARG  74  52.562  -2.015  -6.765
  578   2HD   ARG  74           HD1      ARG  74  53.690  -1.098  -5.766
  579    HE   ARG  74           HE       ARG  74  53.628  -0.593  -8.700
  580   1HH1  ARG  74           HH12     ARG  74  54.384   0.635  -5.683
  581   2HH1  ARG  74           HH11     ARG  74  53.689   2.200  -5.945
  582   1HH2  ARG  74           HH21     ARG  74  52.187   1.326  -8.945
  583   2HH2  ARG  74           HH22     ARG  74  52.449   2.591  -7.792
   
  No H/Q in entry =         583
  Start of MODEL   18
    1    H    MET   1           HN       MET   1  55.702 -10.302 -10.384
    2    HA   MET   1           HA       MET   1  55.785 -10.373  -7.646
    3   1HB   MET   1           HB2      MET   1  57.540  -8.768  -9.498
    4   2HB   MET   1           HB1      MET   1  57.863  -8.957  -7.774
    5   1HG   MET   1           HG2      MET   1  58.937 -10.872  -8.302
    6   2HG   MET   1           HG1      MET   1  57.347 -11.553  -8.644
    7   1HE   MET   1           HE2      MET   1  58.920 -13.176 -10.038
    8   2HE   MET   1           HE1      MET   1  57.282 -12.978 -10.656
    9   3HE   MET   1           HE3      MET   1  58.654 -13.016 -11.772
   10    H    LEU   2           HN       LEU   2  53.596  -9.106  -7.417
   11    HA   LEU   2           HA       LEU   2  53.787  -6.210  -7.379
   12   1HB   LEU   2           HB2      LEU   2  51.639  -7.605  -7.530
   13   2HB   LEU   2           HB1      LEU   2  51.833  -7.891  -5.802
   14    HG   LEU   2           HG       LEU   2  52.119  -5.258  -5.732
   15   1HD1  LEU   2           HD12     LEU   2  51.299  -5.803  -8.455
   16   2HD1  LEU   2           HD11     LEU   2  50.089  -4.816  -7.636
   17   3HD1  LEU   2           HD13     LEU   2  51.763  -4.267  -7.724
   18   1HD2  LEU   2           HD23     LEU   2  50.184  -6.963  -4.963
   19   2HD2  LEU   2           HD22     LEU   2  49.992  -5.214  -4.848
   20   3HD2  LEU   2           HD21     LEU   2  49.296  -6.091  -6.212
   21    H    GLN   3           HN       GLN   3  55.545  -8.263  -5.642
   22    HA   GLN   3           HA       GLN   3  56.213  -6.445  -3.576
   23   1HB   GLN   3           HB2      GLN   3  55.143  -7.385  -1.632
   24   2HB   GLN   3           HB1      GLN   3  53.871  -7.077  -2.816
   25   1HG   GLN   3           HG2      GLN   3  54.616  -9.609  -3.510
   26   2HG   GLN   3           HG1      GLN   3  54.879  -9.647  -1.765
   27   1HE2  GLN   3           HE22     GLN   3  51.056  -8.740  -3.012
   28   2HE2  GLN   3           HE21     GLN   3  52.373  -8.134  -3.894
   29    H    LYS   4           HN       LYS   4  57.865  -7.811  -5.128
   30    HA   LYS   4           HA       LYS   4  58.642 -10.322  -3.772
   31   1HB   LYS   4           HB2      LYS   4  58.578 -10.095  -6.306
   32   2HB   LYS   4           HB1      LYS   4  59.959  -9.008  -6.160
   33   1HG   LYS   4           HG2      LYS   4  60.024 -11.724  -4.866
   34   2HG   LYS   4           HG1      LYS   4  60.411 -11.540  -6.577
   35   1HD   LYS   4           HD2      LYS   4  62.489 -10.898  -6.001
   36   2HD   LYS   4           HD1      LYS   4  61.798  -9.478  -5.216
   37   1HE   LYS   4           HE2      LYS   4  63.085 -10.634  -3.547
   38   2HE   LYS   4           HE1      LYS   4  61.387 -10.933  -3.178
   39   1HZ   LYS   4           HZ3      LYS   4  62.251 -12.890  -4.979
   40   2HZ   LYS   4           HZ2      LYS   4  63.400 -12.799  -3.730
   41   3HZ   LYS   4           HZ1      LYS   4  61.766 -13.091  -3.367
   42    H    LYS   5           HN       LYS   5  60.459  -7.476  -4.983
   43    HA   LYS   5           HA       LYS   5  62.558  -7.922  -3.061
   44   1HB   LYS   5           HB2      LYS   5  63.466  -6.824  -4.852
   45   2HB   LYS   5           HB1      LYS   5  61.963  -5.987  -5.226
   46   1HG   LYS   5           HG2      LYS   5  63.590  -4.355  -4.492
   47   2HG   LYS   5           HG1      LYS   5  62.361  -4.511  -3.247
   48   1HD   LYS   5           HD2      LYS   5  64.034  -6.361  -2.325
   49   2HD   LYS   5           HD1      LYS   5  65.210  -5.412  -3.234
   50   1HE   LYS   5           HE2      LYS   5  64.746  -3.440  -1.981
   51   2HE   LYS   5           HE1      LYS   5  63.282  -4.139  -1.287
   52   1HZ   LYS   5           HZ3      LYS   5  65.909  -5.398  -0.837
   53   2HZ   LYS   5           HZ2      LYS   5  65.404  -4.091   0.123
   54   3HZ   LYS   5           HZ1      LYS   5  64.494  -5.526   0.088
   55    H    ILE   6           HN       ILE   6  59.492  -6.514  -2.844
   56    HA   ILE   6           HA       ILE   6  60.324  -4.765  -0.583
   57    HB   ILE   6           HB       ILE   6  57.553  -5.030  -1.764
   58   1HG1  ILE   6           HG12     ILE   6  59.460  -4.491  -3.421
   59   2HG1  ILE   6           HG11     ILE   6  58.092  -3.370  -3.369
   60   1HG2  ILE   6           HG23     ILE   6  58.773  -3.497   0.356
   61   2HG2  ILE   6           HG22     ILE   6  58.183  -2.409  -0.898
   62   3HG2  ILE   6           HG21     ILE   6  57.080  -3.551  -0.132
   63   1HD1  ILE   6           HD12     ILE   6  60.634  -2.976  -1.768
   64   2HD1  ILE   6           HD11     ILE   6  60.371  -2.264  -3.361
   65   3HD1  ILE   6           HD13     ILE   6  59.330  -1.812  -2.010
   66    H    GLU   7           HN       GLU   7  58.609  -7.720  -1.343
   67    HA   GLU   7           HA       GLU   7  57.456  -7.970   1.339
   68   1HB   GLU   7           HB2      GLU   7  56.375  -9.096  -0.578
   69   2HB   GLU   7           HB1      GLU   7  57.837 -10.045  -0.847
   70   1HG   GLU   7           HG2      GLU   7  56.490 -11.496   0.425
   71   2HG   GLU   7           HG1      GLU   7  57.552 -10.772   1.634
   72    H    GLU   8           HN       GLU   8  60.455  -8.575  -0.242
   73    HA   GLU   8           HA       GLU   8  61.424 -10.569   1.645
   74   1HB   GLU   8           HB2      GLU   8  63.536 -10.338   0.507
   75   2HB   GLU   8           HB1      GLU   8  62.280 -10.258  -0.727
   76   1HG   GLU   8           HG2      GLU   8  62.447  -7.849  -0.862
   77   2HG   GLU   8           HG1      GLU   8  63.490  -7.804   0.569
   78    H    ILE   9           HN       ILE   9  61.720  -7.051   1.243
   79    HA   ILE   9           HA       ILE   9  63.450  -6.787   3.585
   80    HB   ILE   9           HB       ILE   9  63.642  -5.158   1.760
   81   1HG1  ILE   9           HG12     ILE   9  63.741  -3.202   3.090
   82   2HG1  ILE   9           HG11     ILE   9  62.344  -3.683   4.049
   83   1HG2  ILE   9           HG21     ILE   9  60.779  -4.462   2.459
   84   2HG2  ILE   9           HG23     ILE   9  61.792  -3.597   1.302
   85   3HG2  ILE   9           HG22     ILE   9  61.313  -5.263   0.981
   86   1HD1  ILE   9           HD11     ILE   9  64.693  -5.509   4.130
   87   2HD1  ILE   9           HD13     ILE   9  64.875  -3.954   4.943
   88   3HD1  ILE   9           HD12     ILE   9  63.581  -5.052   5.418
   89    H    ALA  10           HN       ALA  10  60.056  -6.650   2.845
   90    HA   ALA  10           HA       ALA  10  59.238  -5.425   5.342
   91   1HB   ALA  10           HB1      ALA  10  57.942  -5.698   3.074
   92   2HB   ALA  10           HB3      ALA  10  57.490  -7.266   3.743
   93   3HB   ALA  10           HB2      ALA  10  57.055  -5.784   4.596
   94    H    ALA  11           HN       ALA  11  59.593  -8.706   4.106
   95    HA   ALA  11           HA       ALA  11  58.609  -9.946   6.554
   96   1HB   ALA  11           HB2      ALA  11  59.762 -10.889   3.963
   97   2HB   ALA  11           HB1      ALA  11  59.845 -11.977   5.348
   98   3HB   ALA  11           HB3      ALA  11  58.282 -11.391   4.779
   99    H    LYS  12           HN       LYS  12  61.706  -8.905   5.244
  100    HA   LYS  12           HA       LYS  12  63.125 -10.404   7.365
  101   1HB   LYS  12           HB2      LYS  12  65.146  -9.801   6.313
  102   2HB   LYS  12           HB1      LYS  12  64.026 -10.010   4.970
  103   1HG   LYS  12           HG2      LYS  12  64.623  -7.938   4.327
  104   2HG   LYS  12           HG1      LYS  12  63.680  -7.347   5.697
  105   1HD   LYS  12           HD2      LYS  12  65.677  -6.399   6.294
  106   2HD   LYS  12           HD1      LYS  12  65.992  -8.002   6.958
  107   1HE   LYS  12           HE2      LYS  12  66.937  -8.603   4.650
  108   2HE   LYS  12           HE1      LYS  12  66.906  -6.873   4.308
  109   1HZ   LYS  12           HZ1      LYS  12  68.218  -6.572   6.391
  110   2HZ   LYS  12           HZ3      LYS  12  68.397  -8.258   6.466
  111   3HZ   LYS  12           HZ2      LYS  12  69.041  -7.393   5.151
  112    H    TYR  13           HN       TYR  13  61.290  -8.601   8.397
  113    HA   TYR  13           HA       TYR  13  63.044  -6.432   9.459
  114   1HB   TYR  13           HB2      TYR  13  60.083  -6.620   8.989
  115   2HB   TYR  13           HB1      TYR  13  60.686  -5.565  10.262
  116    HD1  TYR  13           HD1      TYR  13  63.186  -4.536   9.255
  117    HD2  TYR  13           HD2      TYR  13  59.519  -5.283   7.151
  118    HE1  TYR  13           HE1      TYR  13  63.811  -2.830   7.565
  119    HE2  TYR  13           HE2      TYR  13  60.147  -3.584   5.457
  120    HH   TYR  13           HH       TYR  13  61.578  -1.643   5.244
  121    H    LYS  14           HN       LYS  14  63.350  -6.334  11.671
  122    HA   LYS  14           HA       LYS  14  62.604  -8.718  13.220
  123   1HB   LYS  14           HB2      LYS  14  64.526  -6.494  13.475
  124   2HB   LYS  14           HB1      LYS  14  63.815  -7.017  15.002
  125   1HG   LYS  14           HG2      LYS  14  64.366  -9.420  14.197
  126   2HG   LYS  14           HG1      LYS  14  65.433  -8.629  13.035
  127   1HD   LYS  14           HD2      LYS  14  66.748  -7.640  14.759
  128   2HD   LYS  14           HD1      LYS  14  65.547  -8.018  15.993
  129   1HE   LYS  14           HE2      LYS  14  65.951 -10.470  15.492
  130   2HE   LYS  14           HE1      LYS  14  67.317  -9.964  14.497
  131   1HZ   LYS  14           HZ2      LYS  14  67.754  -8.597  16.758
  132   2HZ   LYS  14           HZ1      LYS  14  67.046 -10.013  17.374
  133   3HZ   LYS  14           HZ3      LYS  14  68.440 -10.112  16.413
  134    H    HIS  15           HN       HIS  15  60.330  -7.231  12.470
  135    HA   HIS  15           HA       HIS  15  59.088  -6.801  15.030
  136   1HB   HIS  15           HB2      HIS  15  60.478  -4.565  13.908
  137   2HB   HIS  15           HB1      HIS  15  58.747  -4.239  13.815
  138    HD1  HIS  15           HD1      HIS  15  61.220  -3.329  15.965
  139    HD2  HIS  15           HD2      HIS  15  57.739  -5.521  16.644
  140    HE1  HIS  15           HE1      HIS  15  60.726  -3.139  18.441
  141    H    SER  16           HN       SER  16  57.265  -7.891  14.404
  142    HA   SER  16           HA       SER  16  56.098  -8.199  11.937
  143   1HB   SER  16           HB2      SER  16  53.833  -8.000  13.326
  144   2HB   SER  16           HB1      SER  16  54.942  -9.349  13.561
  145    HG   SER  16           HG       SER  16  54.240  -7.342  15.258
  146    H    VAL  17           HN       VAL  17  55.583  -5.312  14.022
  147    HA   VAL  17           HA       VAL  17  53.651  -4.056  12.369
  148    HB   VAL  17           HB       VAL  17  55.739  -2.627  14.027
  149   1HG1  VAL  17           HG12     VAL  17  53.702  -1.659  12.439
  150   2HG1  VAL  17           HG11     VAL  17  52.933  -1.745  14.023
  151   3HG1  VAL  17           HG13     VAL  17  54.409  -0.802  13.808
  152   1HG2  VAL  17           HG21     VAL  17  53.475  -4.393  14.801
  153   2HG2  VAL  17           HG23     VAL  17  54.952  -4.007  15.684
  154   3HG2  VAL  17           HG22     VAL  17  53.605  -2.869  15.679
  155    H    VAL  18           HN       VAL  18  57.218  -3.878  12.286
  156    HA   VAL  18           HA       VAL  18  57.516  -1.812  10.404
  157    HB   VAL  18           HB       VAL  18  59.126  -4.380  10.433
  158   1HG1  VAL  18           HG11     VAL  18  59.686  -1.534   9.588
  159   2HG1  VAL  18           HG13     VAL  18  60.947  -2.749   9.781
  160   3HG1  VAL  18           HG12     VAL  18  59.687  -2.971   8.566
  161   1HG2  VAL  18           HG22     VAL  18  58.686  -2.823  12.634
  162   2HG2  VAL  18           HG21     VAL  18  60.168  -3.731  12.346
  163   3HG2  VAL  18           HG23     VAL  18  60.088  -2.024  11.927
  164    H    LYS  19           HN       LYS  19  56.205  -4.993  10.028
  165    HA   LYS  19           HA       LYS  19  56.601  -5.367   7.239
  166   1HB   LYS  19           HB2      LYS  19  55.664  -7.080   8.831
  167   2HB   LYS  19           HB1      LYS  19  54.148  -6.178   8.830
  168   1HG   LYS  19           HG2      LYS  19  54.344  -6.378   6.221
  169   2HG   LYS  19           HG1      LYS  19  55.431  -7.717   6.590
  170   1HD   LYS  19           HD2      LYS  19  52.549  -7.418   7.480
  171   2HD   LYS  19           HD1      LYS  19  53.191  -8.611   6.350
  172   1HE   LYS  19           HE2      LYS  19  53.424  -9.969   8.143
  173   2HE   LYS  19           HE1      LYS  19  54.787  -8.945   8.596
  174   1HZ   LYS  19           HZ2      LYS  19  51.964  -8.498   9.406
  175   2HZ   LYS  19           HZ1      LYS  19  53.170  -9.175  10.393
  176   3HZ   LYS  19           HZ3      LYS  19  53.302  -7.564   9.881
  177    H    LYS  20           HN       LYS  20  53.916  -3.791   9.006
  178    HA   LYS  20           HA       LYS  20  52.463  -2.992   6.670
  179   1HB   LYS  20           HB2      LYS  20  51.291  -2.911   8.742
  180   2HB   LYS  20           HB1      LYS  20  52.548  -1.933   9.499
  181   1HG   LYS  20           HG2      LYS  20  51.522  -0.045   8.829
  182   2HG   LYS  20           HG1      LYS  20  51.597  -0.569   7.146
  183   1HD   LYS  20           HD2      LYS  20  49.257  -0.154   8.001
  184   2HD   LYS  20           HD1      LYS  20  49.515  -1.776   7.359
  185   1HE   LYS  20           HE2      LYS  20  48.901  -2.654   9.335
  186   2HE   LYS  20           HE1      LYS  20  50.235  -1.809  10.121
  187   1HZ   LYS  20           HZ3      LYS  20  48.647   0.207   9.975
  188   2HZ   LYS  20           HZ2      LYS  20  47.433  -0.970   9.810
  189   3HZ   LYS  20           HZ1      LYS  20  48.414  -0.947  11.196
  190    H    CYS  21           HN       CYS  21  54.816  -1.258   8.704
  191    HA   CYS  21           HA       CYS  21  54.869   1.229   7.465
  192   1HB   CYS  21           HB2      CYS  21  57.140  -0.451   8.558
  193   2HB   CYS  21           HB1      CYS  21  57.355   1.217   8.036
  194    H    CYS  22           HN       CYS  22  56.741  -1.644   6.488
  195    HA   CYS  22           HA       CYS  22  57.788  -0.392   4.104
  196   1HB   CYS  22           HB2      CYS  22  59.035  -2.220   4.956
  197   2HB   CYS  22           HB1      CYS  22  57.609  -3.247   5.079
  198    H    TYR  23           HN       TYR  23  54.870  -2.155   4.916
  199    HA   TYR  23           HA       TYR  23  54.058  -2.932   2.329
  200   1HB   TYR  23           HB2      TYR  23  52.803  -2.581   4.907
  201   2HB   TYR  23           HB1      TYR  23  51.727  -2.065   3.621
  202    HD1  TYR  23           HD2      TYR  23  51.631  -3.623   1.506
  203    HD2  TYR  23           HD1      TYR  23  52.941  -4.813   5.408
  204    HE1  TYR  23           HE2      TYR  23  51.194  -5.995   0.922
  205    HE2  TYR  23           HE1      TYR  23  52.511  -7.150   4.828
  206    HH   TYR  23           HH       TYR  23  50.665  -8.251   2.712
  207    H    ASP  24           HN       ASP  24  53.354   0.097   4.092
  208    HA   ASP  24           HA       ASP  24  52.125   1.400   1.833
  209   1HB   ASP  24           HB2      ASP  24  53.556   2.895   4.018
  210   2HB   ASP  24           HB1      ASP  24  52.071   3.328   3.176
  211    H    GLY  25           HN       GLY  25  55.413   1.495   3.221
  212   1HA   GLY  25           HA2      GLY  25  56.677   3.372   1.651
  213   2HA   GLY  25           HA1      GLY  25  57.454   1.842   2.067
  214    H    ALA  26           HN       ALA  26  56.206  -0.037   0.646
  215    HA   ALA  26           HA       ALA  26  57.050   0.427  -2.068
  216   1HB   ALA  26           HB3      ALA  26  56.365  -1.804  -0.504
  217   2HB   ALA  26           HB2      ALA  26  55.170  -1.772  -1.801
  218   3HB   ALA  26           HB1      ALA  26  56.889  -1.820  -2.188
  219    H    CYS  27           HN       CYS  27  53.898   0.465  -0.434
  220    HA   CYS  27           HA       CYS  27  52.481   0.933  -2.972
  221   1HB   CYS  27           HB2      CYS  27  51.411   1.158  -0.146
  222   2HB   CYS  27           HB1      CYS  27  50.474   0.967  -1.628
  223    HG   CYS  27           HG       CYS  27  51.256  -1.469  -1.820
  224    H    VAL  28           HN       VAL  28  54.518   2.828  -1.501
  225    HA   VAL  28           HA       VAL  28  53.746   5.172  -0.522
  226    HB   VAL  28           HB       VAL  28  55.961   5.091  -1.311
  227   1HG1  VAL  28           HG13     VAL  28  54.681   3.959  -3.687
  228   2HG1  VAL  28           HG12     VAL  28  55.979   5.087  -4.081
  229   3HG1  VAL  28           HG11     VAL  28  56.304   3.694  -3.051
  230   1HG2  VAL  28           HG22     VAL  28  54.479   7.281  -1.875
  231   2HG2  VAL  28           HG21     VAL  28  56.201   7.183  -2.241
  232   3HG2  VAL  28           HG23     VAL  28  55.013   6.870  -3.505
  233    H    ASN  29           HN       ASN  29  52.480   6.965  -1.028
  234    HA   ASN  29           HA       ASN  29  50.232   6.728  -2.674
  235   1HB   ASN  29           HB2      ASN  29  50.642   8.531  -0.955
  236   2HB   ASN  29           HB1      ASN  29  51.681   9.335  -2.131
  237   1HD2  ASN  29           HD22     ASN  29  48.184  10.684  -2.469
  238   2HD2  ASN  29           HD21     ASN  29  49.284  10.588  -1.180
  239    H    ASN  30           HN       ASN  30  52.929   8.918  -3.529
  240    HA   ASN  30           HA       ASN  30  52.341   8.329  -6.388
  241   1HB   ASN  30           HB2      ASN  30  52.329  10.713  -5.667
  242   2HB   ASN  30           HB1      ASN  30  54.017  10.555  -5.184
  243   1HD2  ASN  30           HD22     ASN  30  53.242  10.190  -9.216
  244   2HD2  ASN  30           HD21     ASN  30  52.156   9.510  -8.103
  245    H    ASP  31           HN       ASP  31  55.399   9.337  -4.839
  246    HA   ASP  31           HA       ASP  31  56.729   6.834  -5.039
  247   1HB   ASP  31           HB2      ASP  31  58.107   7.276  -7.089
  248   2HB   ASP  31           HB1      ASP  31  56.402   6.995  -7.441
  249    H    GLU  32           HN       GLU  32  57.222  10.325  -5.621
  250    HA   GLU  32           HA       GLU  32  59.916  10.370  -4.634
  251   1HB   GLU  32           HB2      GLU  32  57.850  12.364  -5.332
  252   2HB   GLU  32           HB1      GLU  32  59.032  12.894  -4.135
  253   1HG   GLU  32           HG2      GLU  32  60.569  11.574  -6.049
  254   2HG   GLU  32           HG1      GLU  32  59.376  12.460  -7.000
  255    H    THR  33           HN       THR  33  57.689  12.472  -2.941
  256    HA   THR  33           HA       THR  33  58.792  11.592  -0.386
  257    HB   THR  33           HB       THR  33  56.868  13.297   0.362
  258    HG1  THR  33           HG1      THR  33  55.881  13.871  -1.416
  259   1HG2  THR  33           HG23     THR  33  59.603  13.412  -0.057
  260   2HG2  THR  33           HG22     THR  33  58.997  14.767  -1.009
  261   3HG2  THR  33           HG21     THR  33  58.633  14.667   0.713
  262    H    CYS  34           HN       CYS  34  57.945   9.357  -0.634
  263    HA   CYS  34           HA       CYS  34  55.287   8.563  -0.777
  264   1HB   CYS  34           HB2      CYS  34  56.111   6.902   1.228
  265   2HB   CYS  34           HB1      CYS  34  56.453   6.639  -0.474
  266    H    GLU  35           HN       GLU  35  56.422   8.192   2.514
  267    HA   GLU  35           HA       GLU  35  53.920   9.058   3.619
  268   1HB   GLU  35           HB2      GLU  35  56.604   8.846   5.001
  269   2HB   GLU  35           HB1      GLU  35  55.038   8.883   5.800
  270   1HG   GLU  35           HG2      GLU  35  55.662   6.805   3.710
  271   2HG   GLU  35           HG1      GLU  35  56.104   6.566   5.402
  272    H    GLN  36           HN       GLN  36  57.001  10.725   3.078
  273    HA   GLN  36           HA       GLN  36  56.588  13.080   4.552
  274   1HB   GLN  36           HB2      GLN  36  58.178  12.292   2.261
  275   2HB   GLN  36           HB1      GLN  36  57.520  13.910   2.008
  276   1HG   GLN  36           HG2      GLN  36  58.504  14.739   4.001
  277   2HG   GLN  36           HG1      GLN  36  58.845  13.118   4.603
  278   1HE2  GLN  36           HE22     GLN  36  61.978  14.593   3.100
  279   2HE2  GLN  36           HE21     GLN  36  60.906  15.126   4.303
  280    H    ARG  37           HN       ARG  37  55.089  11.849   1.687
  281    HA   ARG  37           HA       ARG  37  53.518  14.303   1.218
  282   1HB   ARG  37           HB2      ARG  37  54.310  12.827  -0.681
  283   2HB   ARG  37           HB1      ARG  37  53.214  11.577  -0.088
  284   1HG   ARG  37           HG2      ARG  37  51.631  12.550  -1.375
  285   2HG   ARG  37           HG1      ARG  37  51.619  13.853  -0.186
  286   1HD   ARG  37           HD2      ARG  37  52.262  15.215  -1.872
  287   2HD   ARG  37           HD1      ARG  37  53.839  14.433  -1.755
  288    HE   ARG  37           HE       ARG  37  52.947  12.799  -3.499
  289   1HH1  ARG  37           HH21     ARG  37  50.250  14.452  -3.200
  290   2HH1  ARG  37           HH22     ARG  37  50.246  15.235  -4.745
  291   1HH2  ARG  37           HH12     ARG  37  53.552  14.457  -5.444
  292   2HH2  ARG  37           HH11     ARG  37  52.116  15.239  -6.015
  293    H    ALA  38           HN       ALA  38  53.197  11.038   2.545
  294    HA   ALA  38           HA       ALA  38  50.491  10.705   2.949
  295   1HB   ALA  38           HB2      ALA  38  52.717  10.318   4.976
  296   2HB   ALA  38           HB1      ALA  38  51.079   9.708   5.193
  297   3HB   ALA  38           HB3      ALA  38  52.077   9.101   3.872
  298    H    ALA  39           HN       ALA  39  52.557  12.374   5.297
  299    HA   ALA  39           HA       ALA  39  51.037  14.755   5.477
  300   1HB   ALA  39           HB1      ALA  39  49.989  12.458   7.072
  301   2HB   ALA  39           HB3      ALA  39  50.051  14.030   7.872
  302   3HB   ALA  39           HB2      ALA  39  49.123  13.833   6.385
  303    H    ARG  40           HN       ARG  40  52.563  12.284   7.444
  304    HA   ARG  40           HA       ARG  40  54.917  13.748   8.052
  305   1HB   ARG  40           HB2      ARG  40  52.590  14.436   9.681
  306   2HB   ARG  40           HB1      ARG  40  53.928  13.822  10.653
  307   1HG   ARG  40           HG2      ARG  40  55.406  15.504   9.898
  308   2HG   ARG  40           HG1      ARG  40  54.376  15.912   8.526
  309   1HD   ARG  40           HD2      ARG  40  52.782  16.999   9.900
  310   2HD   ARG  40           HD1      ARG  40  53.421  16.259  11.368
  311    HE   ARG  40           HE       ARG  40  55.195  17.866  11.367
  312   1HH1  ARG  40           HH12     ARG  40  53.862  17.709   8.238
  313   2HH1  ARG  40           HH11     ARG  40  54.161  19.372   7.860
  314   1HH2  ARG  40           HH21     ARG  40  55.296  20.165  11.040
  315   2HH2  ARG  40           HH22     ARG  40  54.976  20.763   9.446
  316    H    ILE  41           HN       ILE  41  56.164  11.915   8.199
  317    HA   ILE  41           HA       ILE  41  55.195   9.374   8.913
  318    HB   ILE  41           HB       ILE  41  57.447   9.810   7.860
  319   1HG1  ILE  41           HG12     ILE  41  58.503   7.915   9.076
  320   2HG1  ILE  41           HG11     ILE  41  57.284   8.080  10.340
  321   1HG2  ILE  41           HG22     ILE  41  57.921  11.519   9.855
  322   2HG2  ILE  41           HG21     ILE  41  58.571  10.067  10.617
  323   3HG2  ILE  41           HG23     ILE  41  59.231  10.627   9.080
  324   1HD1  ILE  41           HD13     ILE  41  56.464   7.775   7.457
  325   2HD1  ILE  41           HD12     ILE  41  56.837   6.358   8.439
  326   3HD1  ILE  41           HD11     ILE  41  55.526   7.439   8.913
  327    H    SER  42           HN       SER  42  53.867   9.446  10.658
  328    HA   SER  42           HA       SER  42  55.325   9.668  13.201
  329   1HB   SER  42           HB2      SER  42  53.799  11.081  14.199
  330   2HB   SER  42           HB1      SER  42  53.757  11.696  12.544
  331    HG   SER  42           HG       SER  42  51.695  11.047  13.749
  332    H    LEU  43           HN       LEU  43  54.957   7.339  11.956
  333    HA   LEU  43           HA       LEU  43  52.718   6.170  13.487
  334   1HB   LEU  43           HB2      LEU  43  53.905   5.509  10.828
  335   2HB   LEU  43           HB1      LEU  43  53.311   4.164  11.803
  336    HG   LEU  43           HG       LEU  43  51.375   6.262  11.927
  337   1HD1  LEU  43           HD12     LEU  43  52.341   5.557   9.141
  338   2HD1  LEU  43           HD11     LEU  43  50.770   6.285   9.474
  339   3HD1  LEU  43           HD13     LEU  43  52.248   7.164   9.862
  340   1HD2  LEU  43           HD23     LEU  43  51.607   3.425  11.306
  341   2HD2  LEU  43           HD22     LEU  43  50.256   4.301  12.025
  342   3HD2  LEU  43           HD21     LEU  43  50.417   4.214  10.272
  343    H    GLY  44           HN       GLY  44  56.038   6.550  13.366
  344   1HA   GLY  44           HA2      GLY  44  56.846   5.354  15.630
  345   2HA   GLY  44           HA1      GLY  44  56.646   3.928  14.611
  346    HA   PRO  45           HA       PRO  45  60.896   5.922  13.836
  347   1HB   PRO  45           HB2      PRO  45  62.385   4.178  15.290
  348   2HB   PRO  45           HB1      PRO  45  61.695   5.652  15.976
  349   1HG   PRO  45           HG2      PRO  45  60.852   2.840  16.347
  350   2HG   PRO  45           HG1      PRO  45  60.734   4.213  17.457
  351   1HD   PRO  45           HD2      PRO  45  58.647   3.160  15.944
  352   2HD   PRO  45           HD1      PRO  45  58.645   4.734  16.741
  353    H    ARG  46           HN       ARG  46  60.174   2.444  14.314
  354    HA   ARG  46           HA       ARG  46  61.956   1.469  12.328
  355   1HB   ARG  46           HB2      ARG  46  60.975  -0.586  12.703
  356   2HB   ARG  46           HB1      ARG  46  60.372   0.255  14.125
  357   1HG   ARG  46           HG2      ARG  46  58.868   0.016  11.502
  358   2HG   ARG  46           HG1      ARG  46  58.573  -0.987  12.921
  359   1HD   ARG  46           HD2      ARG  46  58.562   1.717  13.783
  360   2HD   ARG  46           HD1      ARG  46  57.555   1.631  12.341
  361    HE   ARG  46           HE       ARG  46  56.044   0.217  13.524
  362   1HH1  ARG  46           HH21     ARG  46  57.326  -1.824  14.884
  363   2HH1  ARG  46           HH22     ARG  46  57.465  -1.313  16.533
  364   1HH2  ARG  46           HH12     ARG  46  56.921   2.036  15.816
  365   2HH2  ARG  46           HH11     ARG  46  57.234   0.874  17.060
  366    H    CYS  47           HN       CYS  47  58.836   2.985  12.118
  367    HA   CYS  47           HA       CYS  47  58.149   2.216   9.421
  368   1HB   CYS  47           HB2      CYS  47  57.061   3.840  11.496
  369   2HB   CYS  47           HB1      CYS  47  57.217   4.866  10.068
  370    H    ILE  48           HN       ILE  48  59.603   5.196  10.735
  371    HA   ILE  48           HA       ILE  48  60.006   6.716   8.520
  372    HB   ILE  48           HB       ILE  48  62.478   6.211  10.143
  373   1HG1  ILE  48           HG12     ILE  48  60.784   6.051  11.865
  374   2HG1  ILE  48           HG11     ILE  48  61.483   7.664  11.954
  375   1HG2  ILE  48           HG21     ILE  48  62.383   7.989   8.429
  376   2HG2  ILE  48           HG23     ILE  48  61.011   8.715   9.267
  377   3HG2  ILE  48           HG22     ILE  48  62.593   8.660  10.046
  378   1HD1  ILE  48           HD12     ILE  48  59.591   8.498  10.535
  379   2HD1  ILE  48           HD11     ILE  48  58.860   6.898  10.652
  380   3HD1  ILE  48           HD13     ILE  48  59.077   7.876  12.103
  381    H    LYS  49           HN       LYS  49  62.546   4.344   9.425
  382    HA   LYS  49           HA       LYS  49  63.624   4.423   6.719
  383   1HB   LYS  49           HB2      LYS  49  64.570   3.708   9.285
  384   2HB   LYS  49           HB1      LYS  49  64.685   2.259   8.284
  385   1HG   LYS  49           HG2      LYS  49  66.074   3.319   6.697
  386   2HG   LYS  49           HG1      LYS  49  65.636   4.932   7.262
  387   1HD   LYS  49           HD2      LYS  49  67.233   4.914   8.862
  388   2HD   LYS  49           HD1      LYS  49  66.805   3.282   9.377
  389   1HE   LYS  49           HE2      LYS  49  68.474   2.356   8.167
  390   2HE   LYS  49           HE1      LYS  49  68.074   3.319   6.744
  391   1HZ   LYS  49           HZ3      LYS  49  69.577   4.322   9.099
  392   2HZ   LYS  49           HZ2      LYS  49  70.285   3.822   7.638
  393   3HZ   LYS  49           HZ1      LYS  49  69.260   5.177   7.669
  394    H    ALA  50           HN       ALA  50  61.325   2.364   8.372
  395    HA   ALA  50           HA       ALA  50  61.796   0.073   6.678
  396   1HB   ALA  50           HB2      ALA  50  59.327   0.844   8.267
  397   2HB   ALA  50           HB1      ALA  50  59.624  -0.737   7.542
  398   3HB   ALA  50           HB3      ALA  50  60.651  -0.162   8.855
  399    H    PHE  51           HN       PHE  51  59.082   2.352   6.854
  400    HA   PHE  51           HA       PHE  51  58.090   1.707   4.300
  401   1HB   PHE  51           HB2      PHE  51  56.491   3.288   4.701
  402   2HB   PHE  51           HB1      PHE  51  57.094   3.155   6.346
  403    HD1  PHE  51           HD2      PHE  51  57.537   5.108   3.168
  404    HD2  PHE  51           HD1      PHE  51  58.001   5.028   7.419
  405    HE1  PHE  51           HE2      PHE  51  58.193   7.505   3.162
  406    HE2  PHE  51           HE1      PHE  51  58.664   7.395   7.406
  407    HZ   PHE  51           HZ       PHE  51  58.751   8.640   5.292
  408    H    THR  52           HN       THR  52  60.161   4.411   5.385
  409    HA   THR  52           HA       THR  52  60.393   5.667   2.879
  410    HB   THR  52           HB       THR  52  62.481   5.408   5.060
  411    HG1  THR  52           HG1      THR  52  60.844   7.614   4.417
  412   1HG2  THR  52           HG21     THR  52  62.826   6.314   2.434
  413   2HG2  THR  52           HG23     THR  52  62.626   7.779   3.395
  414   3HG2  THR  52           HG22     THR  52  63.895   6.623   3.802
  415    H    GLU  53           HN       GLU  53  62.252   2.991   4.230
  416    HA   GLU  53           HA       GLU  53  64.115   2.691   2.098
  417   1HB   GLU  53           HB2      GLU  53  64.547   1.703   4.256
  418   2HB   GLU  53           HB1      GLU  53  63.076   0.742   4.131
  419   1HG   GLU  53           HG2      GLU  53  65.080  -0.603   3.575
  420   2HG   GLU  53           HG1      GLU  53  63.991  -0.456   2.196
  421    H    CYS  54           HN       CYS  54  60.942   1.216   2.693
  422    HA   CYS  54           HA       CYS  54  61.167  -0.529   0.372
  423   1HB   CYS  54           HB2      CYS  54  59.037   0.099   2.381
  424   2HB   CYS  54           HB1      CYS  54  58.592  -0.716   0.879
  425    H    CYS  55           HN       CYS  55  60.053   2.679   1.011
  426    HA   CYS  55           HA       CYS  55  58.533   2.842  -1.498
  427   1HB   CYS  55           HB2      CYS  55  57.520   4.487  -0.326
  428   2HB   CYS  55           HB1      CYS  55  58.723   4.358   0.947
  429    H    VAL  56           HN       VAL  56  61.740   3.462  -0.301
  430    HA   VAL  56           HA       VAL  56  62.544   5.068  -2.614
  431    HB   VAL  56           HB       VAL  56  64.252   3.599  -0.571
  432   1HG1  VAL  56           HG12     VAL  56  64.953   4.752  -3.001
  433   2HG1  VAL  56           HG11     VAL  56  65.324   6.010  -1.821
  434   3HG1  VAL  56           HG13     VAL  56  66.050   4.411  -1.662
  435   1HG2  VAL  56           HG23     VAL  56  62.525   5.692  -0.071
  436   2HG2  VAL  56           HG22     VAL  56  63.965   5.324   0.876
  437   3HG2  VAL  56           HG21     VAL  56  64.040   6.530  -0.408
  438    H    VAL  57           HN       VAL  57  63.051   1.731  -1.472
  439    HA   VAL  57           HA       VAL  57  64.507   0.899  -3.803
  440    HB   VAL  57           HB       VAL  57  64.016  -1.376  -3.029
  441   1HG1  VAL  57           HG11     VAL  57  64.767   0.721  -1.017
  442   2HG1  VAL  57           HG13     VAL  57  64.626  -0.958  -0.497
  443   3HG1  VAL  57           HG12     VAL  57  65.778  -0.520  -1.758
  444   1HG2  VAL  57           HG23     VAL  57  62.067   0.017  -1.171
  445   2HG2  VAL  57           HG22     VAL  57  61.663  -1.108  -2.466
  446   3HG2  VAL  57           HG21     VAL  57  62.525  -1.681  -1.039
  447    H    ALA  58           HN       ALA  58  61.144   0.825  -2.754
  448    HA   ALA  58           HA       ALA  58  60.065  -0.343  -5.134
  449   1HB   ALA  58           HB1      ALA  58  58.868   1.590  -3.124
  450   2HB   ALA  58           HB3      ALA  58  57.940   0.774  -4.381
  451   3HB   ALA  58           HB2      ALA  58  58.708  -0.166  -3.101
  452    H    SER  59           HN       SER  59  61.220   2.754  -4.181
  453    HA   SER  59           HA       SER  59  60.011   4.448  -6.096
  454   1HB   SER  59           HB2      SER  59  61.827   4.686  -4.077
  455   2HB   SER  59           HB1      SER  59  62.792   5.070  -5.495
  456    HG   SER  59           HG       SER  59  61.821   6.930  -5.457
  457    H    GLN  60           HN       GLN  60  63.358   3.279  -6.169
  458    HA   GLN  60           HA       GLN  60  63.830   3.823  -8.915
  459   1HB   GLN  60           HB2      GLN  60  65.175   2.509  -6.712
  460   2HB   GLN  60           HB1      GLN  60  65.411   1.616  -8.217
  461   1HG   GLN  60           HG2      GLN  60  66.476   3.409  -9.263
  462   2HG   GLN  60           HG1      GLN  60  65.675   4.600  -8.234
  463   1HE2  GLN  60           HE22     GLN  60  67.965   3.955  -5.455
  464   2HE2  GLN  60           HE21     GLN  60  66.302   4.159  -5.725
  465    H    LEU  61           HN       LEU  61  62.307   1.141  -7.311
  466    HA   LEU  61           HA       LEU  61  62.511  -0.733  -9.490
  467   1HB   LEU  61           HB2      LEU  61  60.825  -0.478  -7.012
  468   2HB   LEU  61           HB1      LEU  61  60.491  -1.749  -8.179
  469    HG   LEU  61           HG       LEU  61  63.013  -1.293  -6.618
  470   1HD1  LEU  61           HD12     LEU  61  60.699  -2.939  -6.286
  471   2HD1  LEU  61           HD11     LEU  61  62.079  -3.986  -6.615
  472   3HD1  LEU  61           HD13     LEU  61  62.133  -2.856  -5.262
  473   1HD2  LEU  61           HD22     LEU  61  62.516  -2.825  -9.139
  474   2HD2  LEU  61           HD21     LEU  61  63.961  -1.950  -8.632
  475   3HD2  LEU  61           HD23     LEU  61  63.599  -3.531  -7.939
  476    H    ARG  62           HN       ARG  62  60.271   1.803  -8.532
  477    HA   ARG  62           HA       ARG  62  58.587   1.168 -10.879
  478   1HB   ARG  62           HB2      ARG  62  56.851   2.480  -9.881
  479   2HB   ARG  62           HB1      ARG  62  57.531   1.485  -8.594
  480   1HG   ARG  62           HG2      ARG  62  58.752   3.303  -7.687
  481   2HG   ARG  62           HG1      ARG  62  58.521   4.289  -9.127
  482   1HD   ARG  62           HD2      ARG  62  56.964   5.166  -7.575
  483   2HD   ARG  62           HD1      ARG  62  55.997   4.122  -8.614
  484    HE   ARG  62           HE       ARG  62  56.961   3.280  -5.903
  485   1HH1  ARG  62           HH21     ARG  62  56.000   0.911  -6.905
  486   2HH1  ARG  62           HH22     ARG  62  54.272   0.975  -6.796
  487   1HH2  ARG  62           HH12     ARG  62  54.157   4.423  -6.451
  488   2HH2  ARG  62           HH11     ARG  62  53.229   2.964  -6.540
  489    H    ALA  63           HN       ALA  63  61.230   3.079 -10.226
  490    HA   ALA  63           HA       ALA  63  60.307   5.501 -11.596
  491   1HB   ALA  63           HB1      ALA  63  62.779   4.595 -10.239
  492   2HB   ALA  63           HB3      ALA  63  63.010   5.745 -11.554
  493   3HB   ALA  63           HB2      ALA  63  61.977   6.163 -10.188
  494    H    ASN  64           HN       ASN  64  63.072   3.353 -12.364
  495    HA   ASN  64           HA       ASN  64  62.907   4.122 -15.177
  496   1HB   ASN  64           HB2      ASN  64  65.052   3.591 -13.914
  497   2HB   ASN  64           HB1      ASN  64  64.575   1.894 -13.987
  498   1HD2  ASN  64           HD22     ASN  64  66.664   2.409 -16.983
  499   2HD2  ASN  64           HD21     ASN  64  66.884   2.324 -15.302
  500    H    ILE  65           HN       ILE  65  60.894   2.213 -13.533
  501    HA   ILE  65           HA       ILE  65  60.626   0.298 -15.815
  502    HB   ILE  65           HB       ILE  65  59.591  -0.471 -13.125
  503   1HG1  ILE  65           HG12     ILE  65  61.845   0.409 -12.624
  504   2HG1  ILE  65           HG11     ILE  65  61.806  -1.347 -12.468
  505   1HG2  ILE  65           HG23     ILE  65  60.418  -1.705 -15.671
  506   2HG2  ILE  65           HG22     ILE  65  60.932  -2.592 -14.235
  507   3HG2  ILE  65           HG21     ILE  65  59.222  -2.248 -14.493
  508   1HD1  ILE  65           HD12     ILE  65  62.428  -0.569 -15.194
  509   2HD1  ILE  65           HD11     ILE  65  63.566   0.157 -14.059
  510   3HD1  ILE  65           HD13     ILE  65  63.349  -1.593 -14.092
  511    H    SER  66           HN       SER  66  58.239  -0.694 -15.641
  512    HA   SER  66           HA       SER  66  56.126   0.865 -14.554
  513   1HB   SER  66           HB2      SER  66  57.362   2.173 -16.700
  514   2HB   SER  66           HB1      SER  66  55.914   1.452 -17.395
  515    HG   SER  66           HG       SER  66  54.686   2.660 -16.122
  516    H    HIS  67           HN       HIS  67  56.693  -1.876 -14.910
  517    HA   HIS  67           HA       HIS  67  54.242  -2.713 -16.304
  518   1HB   HIS  67           HB2      HIS  67  56.379  -2.678 -17.886
  519   2HB   HIS  67           HB1      HIS  67  56.718  -4.206 -17.075
  520    HD1  HIS  67           HD1      HIS  67  53.514  -4.784 -16.754
  521    HD2  HIS  67           HD2      HIS  67  55.621  -4.088 -20.283
  522    HE1  HIS  67           HE1      HIS  67  52.145  -5.812 -18.620
  523    H    LYS  68           HN       LYS  68  55.571  -5.533 -16.290
  524    HA   LYS  68           HA       LYS  68  54.496  -6.491 -13.905
  525   1HB   LYS  68           HB2      LYS  68  55.606  -7.787 -15.878
  526   2HB   LYS  68           HB1      LYS  68  57.094  -7.613 -14.945
  527   1HG   LYS  68           HG2      LYS  68  56.068  -9.725 -14.342
  528   2HG   LYS  68           HG1      LYS  68  55.901  -8.620 -12.976
  529   1HD   LYS  68           HD2      LYS  68  53.619  -8.325 -13.315
  530   2HD   LYS  68           HD1      LYS  68  53.719  -8.721 -15.031
  531   1HE   LYS  68           HE2      LYS  68  54.387 -11.092 -14.247
  532   2HE   LYS  68           HE1      LYS  68  53.772 -10.597 -12.669
  533   1HZ   LYS  68           HZ2      LYS  68  52.000  -9.925 -14.818
  534   2HZ   LYS  68           HZ1      LYS  68  52.284 -11.596 -14.712
  535   3HZ   LYS  68           HZ3      LYS  68  51.681 -10.752 -13.370
  536    H    ASP  69           HN       ASP  69  57.823  -5.359 -14.435
  537    HA   ASP  69           HA       ASP  69  58.793  -5.738 -11.820
  538   1HB   ASP  69           HB2      ASP  69  59.560  -4.066 -14.165
  539   2HB   ASP  69           HB1      ASP  69  60.225  -3.602 -12.599
  540    H    MET  70           HN       MET  70  57.681  -2.660 -13.306
  541    HA   MET  70           HA       MET  70  57.465  -1.360 -10.718
  542   1HB   MET  70           HB2      MET  70  57.893   0.058 -12.592
  543   2HB   MET  70           HB1      MET  70  56.536  -0.611 -13.495
  544   1HG   MET  70           HG2      MET  70  54.946   0.510 -12.189
  545   2HG   MET  70           HG1      MET  70  56.064   0.727 -10.842
  546   1HE   MET  70           HE3      MET  70  54.746   2.804 -10.915
  547   2HE   MET  70           HE2      MET  70  55.375   4.292 -11.618
  548   3HE   MET  70           HE1      MET  70  54.230   3.309 -12.529
  549    H    GLN  71           HN       GLN  71  54.875  -1.919 -13.127
  550    HA   GLN  71           HA       GLN  71  52.643  -1.526 -11.587
  551   1HB   GLN  71           HB2      GLN  71  52.841  -2.452 -14.014
  552   2HB   GLN  71           HB1      GLN  71  52.793  -4.039 -13.244
  553   1HG   GLN  71           HG2      GLN  71  50.716  -2.949 -11.970
  554   2HG   GLN  71           HG1      GLN  71  50.661  -1.954 -13.426
  555   1HE2  GLN  71           HE22     GLN  71  50.351  -6.007 -14.084
  556   2HE2  GLN  71           HE21     GLN  71  51.508  -5.434 -12.982
  557    H    LEU  72           HN       LEU  72  54.798  -4.341 -11.397
  558    HA   LEU  72           HA       LEU  72  53.194  -5.307  -9.055
  559   1HB   LEU  72           HB2      LEU  72  54.327  -6.655 -11.339
  560   2HB   LEU  72           HB1      LEU  72  55.037  -7.298  -9.859
  561    HG   LEU  72           HG       LEU  72  52.774  -7.650  -8.955
  562   1HD1  LEU  72           HD12     LEU  72  51.921  -5.685 -10.425
  563   2HD1  LEU  72           HD11     LEU  72  51.717  -6.914 -11.673
  564   3HD1  LEU  72           HD13     LEU  72  50.840  -7.050 -10.150
  565   1HD2  LEU  72           HD23     LEU  72  53.909  -8.970 -11.261
  566   2HD2  LEU  72           HD22     LEU  72  52.978  -9.674  -9.939
  567   3HD2  LEU  72           HD21     LEU  72  52.149  -9.024 -11.353
  568    H    GLY  73           HN       GLY  73  56.536  -5.920 -10.046
  569   1HA   GLY  73           HA2      GLY  73  57.752  -6.066  -7.594
  570   2HA   GLY  73           HA1      GLY  73  58.563  -5.381  -9.003
  571    H    ARG  74           HN       ARG  74  56.544  -3.214  -9.199
  572    HA   ARG  74           HA       ARG  74  56.268  -1.014  -8.409
  573   1HB   ARG  74           HB2      ARG  74  56.993  -2.279  -5.745
  574   2HB   ARG  74           HB1      ARG  74  56.286  -0.678  -5.964
  575   1HG   ARG  74           HG2      ARG  74  54.585  -2.323  -7.413
  576   2HG   ARG  74           HG1      ARG  74  54.987  -3.299  -5.998
  577   1HD   ARG  74           HD2      ARG  74  53.696  -2.017  -4.672
  578   2HD   ARG  74           HD1      ARG  74  54.506  -0.551  -5.224
  579    HE   ARG  74           HE       ARG  74  52.893  -0.547  -7.152
  580   1HH1  ARG  74           HH12     ARG  74  52.273  -3.244  -5.253
  581   2HH1  ARG  74           HH11     ARG  74  50.570  -2.967  -5.105
  582   1HH2  ARG  74           HH21     ARG  74  50.684   0.169  -6.581
  583   2HH2  ARG  74           HH22     ARG  74  49.670  -1.034  -5.856
   
  No H/Q in entry =         583
  Start of MODEL   19
    1    H    MET   1           HN       MET   1  56.453  -9.924 -10.599
    2    HA   MET   1           HA       MET   1  56.227 -10.546  -7.722
    3   1HB   MET   1           HB2      MET   1  58.214  -8.719  -9.072
    4   2HB   MET   1           HB1      MET   1  58.338  -9.469  -7.480
    5   1HG   MET   1           HG2      MET   1  59.450 -11.157  -8.483
    6   2HG   MET   1           HG1      MET   1  57.910 -11.616  -9.211
    7   1HE   MET   1           HE3      MET   1  61.030 -11.765  -9.845
    8   2HE   MET   1           HE2      MET   1  61.506 -11.038 -11.378
    9   3HE   MET   1           HE1      MET   1  61.504 -10.062  -9.912
   10    H    LEU   2           HN       LEU   2  54.035  -9.354  -7.776
   11    HA   LEU   2           HA       LEU   2  54.084  -6.460  -7.966
   12   1HB   LEU   2           HB2      LEU   2  52.035  -8.013  -8.177
   13   2HB   LEU   2           HB1      LEU   2  52.066  -8.086  -6.416
   14    HG   LEU   2           HG       LEU   2  52.176  -5.472  -6.575
   15   1HD1  LEU   2           HD13     LEU   2  51.643  -6.333  -9.345
   16   2HD1  LEU   2           HD12     LEU   2  50.523  -5.111  -8.739
   17   3HD1  LEU   2           HD11     LEU   2  52.258  -4.793  -8.744
   18   1HD2  LEU   2           HD22     LEU   2  49.745  -7.198  -7.096
   19   2HD2  LEU   2           HD21     LEU   2  50.285  -6.518  -5.561
   20   3HD2  LEU   2           HD23     LEU   2  49.617  -5.463  -6.806
   21    H    GLN   3           HN       GLN   3  55.699  -8.343  -5.913
   22    HA   GLN   3           HA       GLN   3  56.220  -6.377  -3.955
   23   1HB   GLN   3           HB2      GLN   3  54.970  -7.156  -2.034
   24   2HB   GLN   3           HB1      GLN   3  53.819  -6.879  -3.339
   25   1HG   GLN   3           HG2      GLN   3  54.536  -9.487  -3.788
   26   2HG   GLN   3           HG1      GLN   3  54.585  -9.400  -2.027
   27   1HE2  GLN   3           HE22     GLN   3  51.037  -9.830  -3.669
   28   2HE2  GLN   3           HE21     GLN   3  52.514 -10.342  -4.330
   29    H    LYS   4           HN       LYS   4  57.995  -7.791  -5.187
   30    HA   LYS   4           HA       LYS   4  58.582 -10.252  -3.638
   31   1HB   LYS   4           HB2      LYS   4  58.668 -10.589  -6.007
   32   2HB   LYS   4           HB1      LYS   4  59.608  -9.119  -6.237
   33   1HG   LYS   4           HG2      LYS   4  61.128 -10.947  -6.439
   34   2HG   LYS   4           HG1      LYS   4  61.430 -10.174  -4.894
   35   1HD   LYS   4           HD2      LYS   4  59.446 -12.398  -4.948
   36   2HD   LYS   4           HD1      LYS   4  61.151 -12.825  -5.096
   37   1HE   LYS   4           HE2      LYS   4  61.678 -11.715  -3.015
   38   2HE   LYS   4           HE1      LYS   4  60.050 -11.053  -2.910
   39   1HZ   LYS   4           HZ2      LYS   4  60.291 -13.947  -3.150
   40   2HZ   LYS   4           HZ1      LYS   4  60.754 -13.259  -1.667
   41   3HZ   LYS   4           HZ3      LYS   4  59.182 -13.020  -2.257
   42    H    LYS   5           HN       LYS   5  60.562  -7.604  -5.024
   43    HA   LYS   5           HA       LYS   5  62.645  -7.956  -3.095
   44   1HB   LYS   5           HB2      LYS   5  62.025  -6.090  -5.273
   45   2HB   LYS   5           HB1      LYS   5  62.899  -5.337  -3.939
   46   1HG   LYS   5           HG2      LYS   5  64.812  -6.380  -4.512
   47   2HG   LYS   5           HG1      LYS   5  64.006  -7.949  -4.547
   48   1HD   LYS   5           HD2      LYS   5  63.458  -7.765  -6.813
   49   2HD   LYS   5           HD1      LYS   5  63.580  -6.005  -6.800
   50   1HE   LYS   5           HE2      LYS   5  66.128  -6.797  -6.070
   51   2HE   LYS   5           HE1      LYS   5  65.667  -8.014  -7.260
   52   1HZ   LYS   5           HZ3      LYS   5  64.939  -6.104  -8.693
   53   2HZ   LYS   5           HZ2      LYS   5  65.728  -5.072  -7.596
   54   3HZ   LYS   5           HZ1      LYS   5  66.613  -6.241  -8.455
   55    H    ILE   6           HN       ILE   6  59.575  -6.491  -2.853
   56    HA   ILE   6           HA       ILE   6  60.440  -4.802  -0.559
   57    HB   ILE   6           HB       ILE   6  57.671  -4.970  -1.760
   58   1HG1  ILE   6           HG12     ILE   6  59.604  -4.463  -3.401
   59   2HG1  ILE   6           HG11     ILE   6  58.262  -3.314  -3.345
   60   1HG2  ILE   6           HG22     ILE   6  58.940  -3.489   0.373
   61   2HG2  ILE   6           HG21     ILE   6  58.356  -2.381  -0.866
   62   3HG2  ILE   6           HG23     ILE   6  57.242  -3.511  -0.099
   63   1HD1  ILE   6           HD12     ILE   6  59.572  -1.902  -1.775
   64   2HD1  ILE   6           HD11     ILE   6  60.919  -3.033  -1.906
   65   3HD1  ILE   6           HD13     ILE   6  60.401  -2.112  -3.319
   66    H    GLU   7           HN       GLU   7  58.383  -7.603  -1.329
   67    HA   GLU   7           HA       GLU   7  57.309  -7.766   1.370
   68   1HB   GLU   7           HB2      GLU   7  56.276  -9.777   0.688
   69   2HB   GLU   7           HB1      GLU   7  56.330  -8.822  -0.790
   70   1HG   GLU   7           HG2      GLU   7  57.187 -10.838  -1.569
   71   2HG   GLU   7           HG1      GLU   7  58.679 -10.029  -1.086
   72    H    GLU   8           HN       GLU   8  60.280  -8.526  -0.117
   73    HA   GLU   8           HA       GLU   8  61.049 -10.664   1.707
   74   1HB   GLU   8           HB2      GLU   8  63.230 -10.479   0.651
   75   2HB   GLU   8           HB1      GLU   8  61.999 -10.360  -0.608
   76   1HG   GLU   8           HG2      GLU   8  62.158  -7.904  -0.568
   77   2HG   GLU   8           HG1      GLU   8  63.353  -8.004   0.736
   78    H    ILE   9           HN       ILE   9  61.606  -7.173   1.427
   79    HA   ILE   9           HA       ILE   9  63.326  -7.072   3.780
   80    HB   ILE   9           HB       ILE   9  63.558  -5.398   1.987
   81   1HG1  ILE   9           HG12     ILE   9  63.828  -3.513   3.388
   82   2HG1  ILE   9           HG11     ILE   9  62.434  -3.939   4.378
   83   1HG2  ILE   9           HG22     ILE   9  61.104  -5.405   1.413
   84   2HG2  ILE   9           HG21     ILE   9  60.831  -4.411   2.843
   85   3HG2  ILE   9           HG23     ILE   9  61.823  -3.800   1.520
   86   1HD1  ILE   9           HD12     ILE   9  64.727  -5.860   4.275
   87   2HD1  ILE   9           HD11     ILE   9  64.911  -4.393   5.238
   88   3HD1  ILE   9           HD13     ILE   9  63.605  -5.524   5.594
   89    H    ALA  10           HN       ALA  10  59.935  -6.528   3.046
   90    HA   ALA  10           HA       ALA  10  59.216  -5.458   5.627
   91   1HB   ALA  10           HB2      ALA  10  57.892  -6.190   3.166
   92   2HB   ALA  10           HB1      ALA  10  57.000  -6.831   4.545
   93   3HB   ALA  10           HB3      ALA  10  57.335  -5.103   4.438
   94    H    ALA  11           HN       ALA  11  59.073  -8.683   4.154
   95    HA   ALA  11           HA       ALA  11  58.077  -9.979   6.539
   96   1HB   ALA  11           HB2      ALA  11  59.517 -11.123   4.128
   97   2HB   ALA  11           HB1      ALA  11  58.657 -12.066   5.346
   98   3HB   ALA  11           HB3      ALA  11  57.769 -10.957   4.300
   99    H    LYS  12           HN       LYS  12  61.271  -9.170   5.284
  100    HA   LYS  12           HA       LYS  12  62.530 -10.875   7.349
  101   1HB   LYS  12           HB2      LYS  12  64.588 -10.487   6.288
  102   2HB   LYS  12           HB1      LYS  12  63.448 -10.489   4.946
  103   1HG   LYS  12           HG2      LYS  12  64.271  -8.471   4.395
  104   2HG   LYS  12           HG1      LYS  12  63.456  -7.840   5.828
  105   1HD   LYS  12           HD2      LYS  12  65.624  -7.179   6.295
  106   2HD   LYS  12           HD1      LYS  12  65.643  -8.781   7.033
  107   1HE   LYS  12           HE2      LYS  12  66.597  -9.731   4.971
  108   2HE   LYS  12           HE1      LYS  12  66.564  -8.138   4.215
  109   1HZ   LYS  12           HZ2      LYS  12  67.897  -7.511   6.367
  110   2HZ   LYS  12           HZ1      LYS  12  68.309  -9.159   6.330
  111   3HZ   LYS  12           HZ3      LYS  12  68.681  -8.163   5.008
  112    H    TYR  13           HN       TYR  13  60.891  -8.921   8.432
  113    HA   TYR  13           HA       TYR  13  62.841  -6.936   9.515
  114   1HB   TYR  13           HB2      TYR  13  59.892  -6.872   9.044
  115   2HB   TYR  13           HB1      TYR  13  60.526  -5.980  10.424
  116    HD1  TYR  13           HD1      TYR  13  63.187  -5.121   9.420
  117    HD2  TYR  13           HD2      TYR  13  59.367  -5.213   7.458
  118    HE1  TYR  13           HE1      TYR  13  63.928  -3.316   7.895
  119    HE2  TYR  13           HE2      TYR  13  60.110  -3.407   5.934
  120    HH   TYR  13           HH       TYR  13  63.436  -2.184   6.012
  121    H    LYS  14           HN       LYS  14  63.248  -6.957  11.707
  122    HA   LYS  14           HA       LYS  14  62.248  -9.284  13.215
  123   1HB   LYS  14           HB2      LYS  14  64.267  -7.124  13.891
  124   2HB   LYS  14           HB1      LYS  14  63.845  -8.450  14.975
  125   1HG   LYS  14           HG2      LYS  14  64.500  -9.320  12.243
  126   2HG   LYS  14           HG1      LYS  14  65.844  -8.547  13.084
  127   1HD   LYS  14           HD2      LYS  14  65.205 -10.075  15.078
  128   2HD   LYS  14           HD1      LYS  14  64.291 -11.002  13.889
  129   1HE   LYS  14           HE2      LYS  14  66.297 -11.353  12.551
  130   2HE   LYS  14           HE1      LYS  14  67.232 -10.315  13.629
  131   1HZ   LYS  14           HZ2      LYS  14  66.004 -12.206  15.230
  132   2HZ   LYS  14           HZ1      LYS  14  66.621 -13.061  13.898
  133   3HZ   LYS  14           HZ3      LYS  14  67.654 -12.103  14.841
  134    H    HIS  15           HN       HIS  15  60.289  -7.278  12.573
  135    HA   HIS  15           HA       HIS  15  59.261  -6.770  15.256
  136   1HB   HIS  15           HB2      HIS  15  60.778  -4.726  13.953
  137   2HB   HIS  15           HB1      HIS  15  59.087  -4.232  13.933
  138    HD1  HIS  15           HD1      HIS  15  61.707  -5.474  16.409
  139    HD2  HIS  15           HD2      HIS  15  58.163  -3.279  16.372
  140    HE1  HIS  15           HE1      HIS  15  61.376  -4.607  18.765
  141    H    SER  16           HN       SER  16  57.316  -7.745  14.776
  142    HA   SER  16           HA       SER  16  55.940  -8.001  12.427
  143   1HB   SER  16           HB2      SER  16  54.893  -8.966  14.280
  144   2HB   SER  16           HB1      SER  16  54.944  -7.471  15.211
  145    HG   SER  16           HG       SER  16  53.065  -8.388  13.470
  146    H    VAL  17           HN       VAL  17  56.148  -4.930  14.240
  147    HA   VAL  17           HA       VAL  17  54.088  -3.610  12.715
  148    HB   VAL  17           HB       VAL  17  56.402  -2.342  14.204
  149   1HG1  VAL  17           HG11     VAL  17  54.331  -1.255  12.635
  150   2HG1  VAL  17           HG13     VAL  17  53.835  -1.003  14.308
  151   3HG1  VAL  17           HG12     VAL  17  55.387  -0.383  13.747
  152   1HG2  VAL  17           HG22     VAL  17  54.881  -4.086  15.436
  153   2HG2  VAL  17           HG21     VAL  17  55.173  -2.521  16.196
  154   3HG2  VAL  17           HG23     VAL  17  53.657  -2.820  15.346
  155    H    VAL  18           HN       VAL  18  57.645  -3.736  12.395
  156    HA   VAL  18           HA       VAL  18  58.003  -1.793  10.408
  157    HB   VAL  18           HB       VAL  18  59.369  -4.458  10.133
  158   1HG1  VAL  18           HG12     VAL  18  59.923  -2.592   8.610
  159   2HG1  VAL  18           HG11     VAL  18  60.340  -1.600  10.008
  160   3HG1  VAL  18           HG13     VAL  18  61.291  -3.034   9.631
  161   1HG2  VAL  18           HG22     VAL  18  59.216  -2.950  12.578
  162   2HG2  VAL  18           HG21     VAL  18  60.123  -4.423  12.237
  163   3HG2  VAL  18           HG23     VAL  18  60.852  -2.851  11.936
  164    H    LYS  19           HN       LYS  19  56.384  -4.857  10.221
  165    HA   LYS  19           HA       LYS  19  56.509  -5.351   7.434
  166   1HB   LYS  19           HB2      LYS  19  55.555  -6.979   8.994
  167   2HB   LYS  19           HB1      LYS  19  54.233  -5.873   9.371
  168   1HG   LYS  19           HG2      LYS  19  53.097  -6.418   7.490
  169   2HG   LYS  19           HG1      LYS  19  54.552  -6.344   6.493
  170   1HD   LYS  19           HD2      LYS  19  54.572  -8.613   8.343
  171   2HD   LYS  19           HD1      LYS  19  53.213  -8.663   7.220
  172   1HE   LYS  19           HE2      LYS  19  55.027  -8.057   5.422
  173   2HE   LYS  19           HE1      LYS  19  56.157  -8.683   6.623
  174   1HZ   LYS  19           HZ2      LYS  19  53.785 -10.152   5.606
  175   2HZ   LYS  19           HZ1      LYS  19  55.377 -10.391   5.061
  176   3HZ   LYS  19           HZ3      LYS  19  54.969 -10.752   6.667
  177    H    LYS  20           HN       LYS  20  53.757  -3.819   9.157
  178    HA   LYS  20           HA       LYS  20  52.422  -2.860   6.879
  179   1HB   LYS  20           HB2      LYS  20  51.309  -2.719   8.988
  180   2HB   LYS  20           HB1      LYS  20  52.600  -1.738   9.678
  181   1HG   LYS  20           HG2      LYS  20  51.547   0.130   9.000
  182   2HG   LYS  20           HG1      LYS  20  51.662  -0.411   7.324
  183   1HD   LYS  20           HD2      LYS  20  49.302   0.014   8.116
  184   2HD   LYS  20           HD1      LYS  20  49.576  -1.614   7.497
  185   1HE   LYS  20           HE2      LYS  20  48.935  -2.484   9.468
  186   2HE   LYS  20           HE1      LYS  20  50.222  -1.597  10.285
  187   1HZ   LYS  20           HZ1      LYS  20  47.779  -0.169   9.508
  188   2HZ   LYS  20           HZ3      LYS  20  47.741  -1.164  10.880
  189   3HZ   LYS  20           HZ2      LYS  20  48.839   0.129  10.801
  190    H    CYS  21           HN       CYS  21  54.978  -1.273   8.788
  191    HA   CYS  21           HA       CYS  21  55.046   1.223   7.531
  192   1HB   CYS  21           HB2      CYS  21  57.329  -0.488   8.551
  193   2HB   CYS  21           HB1      CYS  21  57.516   1.195   8.059
  194    H    CYS  22           HN       CYS  22  56.898  -1.676   6.530
  195    HA   CYS  22           HA       CYS  22  57.833  -0.419   4.099
  196   1HB   CYS  22           HB2      CYS  22  59.164  -2.208   4.901
  197   2HB   CYS  22           HB1      CYS  22  57.772  -3.270   5.099
  198    H    TYR  23           HN       TYR  23  54.911  -1.990   5.056
  199    HA   TYR  23           HA       TYR  23  54.044  -2.917   2.494
  200   1HB   TYR  23           HB2      TYR  23  52.876  -2.514   5.124
  201   2HB   TYR  23           HB1      TYR  23  51.743  -2.128   3.844
  202    HD1  TYR  23           HD2      TYR  23  51.525  -3.802   1.886
  203    HD2  TYR  23           HD1      TYR  23  53.285  -4.708   5.687
  204    HE1  TYR  23           HE2      TYR  23  51.192  -6.224   1.456
  205    HE2  TYR  23           HE1      TYR  23  52.958  -7.093   5.258
  206    HH   TYR  23           HH       TYR  23  52.721  -8.615   3.228
  207    H    ASP  24           HN       ASP  24  53.442   0.132   4.248
  208    HA   ASP  24           HA       ASP  24  52.066   1.367   2.019
  209   1HB   ASP  24           HB2      ASP  24  53.471   3.014   4.082
  210   2HB   ASP  24           HB1      ASP  24  51.870   3.231   3.383
  211    H    GLY  25           HN       GLY  25  55.363   1.653   3.373
  212   1HA   GLY  25           HA2      GLY  25  56.505   3.527   1.698
  213   2HA   GLY  25           HA1      GLY  25  57.374   2.069   2.192
  214    H    ALA  26           HN       ALA  26  56.237   0.038   0.901
  215    HA   ALA  26           HA       ALA  26  57.008   0.404  -1.852
  216   1HB   ALA  26           HB1      ALA  26  56.547  -1.777  -0.189
  217   2HB   ALA  26           HB3      ALA  26  55.231  -1.869  -1.359
  218   3HB   ALA  26           HB2      ALA  26  56.904  -1.857  -1.915
  219    H    CYS  27           HN       CYS  27  53.927   0.472  -0.131
  220    HA   CYS  27           HA       CYS  27  52.405   0.680  -2.646
  221   1HB   CYS  27           HB2      CYS  27  51.662   0.672   0.280
  222   2HB   CYS  27           HB1      CYS  27  50.484   1.092  -0.964
  223    HG   CYS  27           HG       CYS  27  51.028  -1.667  -0.265
  224    H    VAL  28           HN       VAL  28  54.408   2.757  -1.377
  225    HA   VAL  28           HA       VAL  28  53.555   5.136  -0.536
  226    HB   VAL  28           HB       VAL  28  55.740   5.149  -1.382
  227   1HG1  VAL  28           HG12     VAL  28  55.304   3.234  -2.949
  228   2HG1  VAL  28           HG11     VAL  28  54.690   4.401  -4.120
  229   3HG1  VAL  28           HG13     VAL  28  56.376   4.470  -3.607
  230   1HG2  VAL  28           HG23     VAL  28  54.433   7.271  -1.943
  231   2HG2  VAL  28           HG22     VAL  28  55.881   7.001  -2.910
  232   3HG2  VAL  28           HG21     VAL  28  54.291   6.646  -3.585
  233    H    ASN  29           HN       ASN  29  51.979   6.624  -0.985
  234    HA   ASN  29           HA       ASN  29  49.756   6.218  -2.532
  235   1HB   ASN  29           HB2      ASN  29  50.110   8.173  -1.013
  236   2HB   ASN  29           HB1      ASN  29  51.103   8.922  -2.265
  237   1HD2  ASN  29           HD22     ASN  29  47.913  10.400  -3.082
  238   2HD2  ASN  29           HD21     ASN  29  49.296  10.646  -2.128
  239    H    ASN  30           HN       ASN  30  52.127   8.569  -3.789
  240    HA   ASN  30           HA       ASN  30  52.425   7.163  -6.314
  241   1HB   ASN  30           HB2      ASN  30  50.233   7.961  -6.823
  242   2HB   ASN  30           HB1      ASN  30  50.566   9.542  -6.116
  243   1HD2  ASN  30           HD22     ASN  30  52.266  10.775  -8.996
  244   2HD2  ASN  30           HD21     ASN  30  51.989  11.014  -7.339
  245    H    ASP  31           HN       ASP  31  52.303  10.605  -5.326
  246    HA   ASP  31           HA       ASP  31  54.616  11.404  -6.720
  247   1HB   ASP  31           HB2      ASP  31  53.864  12.537  -4.022
  248   2HB   ASP  31           HB1      ASP  31  54.579  13.376  -5.400
  249    H    GLU  32           HN       GLU  32  56.780  11.277  -6.291
  250    HA   GLU  32           HA       GLU  32  58.063   9.291  -4.999
  251   1HB   GLU  32           HB2      GLU  32  58.916  12.196  -4.993
  252   2HB   GLU  32           HB1      GLU  32  59.977  10.857  -4.555
  253   1HG   GLU  32           HG2      GLU  32  59.824   9.900  -6.747
  254   2HG   GLU  32           HG1      GLU  32  58.507  10.983  -7.196
  255    H    THR  33           HN       THR  33  57.801  12.402  -3.213
  256    HA   THR  33           HA       THR  33  58.464  11.411  -0.685
  257    HB   THR  33           HB       THR  33  56.771  13.290   0.094
  258    HG1  THR  33           HG1      THR  33  55.955  13.182  -2.215
  259   1HG2  THR  33           HG21     THR  33  59.270  13.411   0.047
  260   2HG2  THR  33           HG23     THR  33  59.173  13.961  -1.625
  261   3HG2  THR  33           HG22     THR  33  58.493  14.948  -0.332
  262    H    CYS  34           HN       CYS  34  57.535   9.326  -0.455
  263    HA   CYS  34           HA       CYS  34  54.727   8.783  -0.615
  264   1HB   CYS  34           HB2      CYS  34  55.439   6.896   1.114
  265   2HB   CYS  34           HB1      CYS  34  55.887   6.792  -0.583
  266    H    GLU  35           HN       GLU  35  56.215   8.211   2.508
  267    HA   GLU  35           HA       GLU  35  53.967   9.150   3.972
  268   1HB   GLU  35           HB2      GLU  35  56.860   8.797   4.762
  269   2HB   GLU  35           HB1      GLU  35  55.604   9.200   5.925
  270   1HG   GLU  35           HG2      GLU  35  55.129   6.894   4.088
  271   2HG   GLU  35           HG1      GLU  35  56.243   6.666   5.439
  272    H    GLN  36           HN       GLN  36  56.890  10.763   2.831
  273    HA   GLN  36           HA       GLN  36  56.686  13.208   4.238
  274   1HB   GLN  36           HB2      GLN  36  57.832  12.328   1.645
  275   2HB   GLN  36           HB1      GLN  36  57.427  14.043   1.735
  276   1HG   GLN  36           HG2      GLN  36  58.710  14.170   3.889
  277   2HG   GLN  36           HG1      GLN  36  59.219  12.500   3.632
  278   1HE2  GLN  36           HE22     GLN  36  60.637  15.348   1.009
  279   2HE2  GLN  36           HE21     GLN  36  59.105  15.564   1.707
  280    H    ARG  37           HN       ARG  37  55.038  11.973   1.368
  281    HA   ARG  37           HA       ARG  37  53.425  14.344   0.938
  282   1HB   ARG  37           HB2      ARG  37  53.631  12.834  -0.918
  283   2HB   ARG  37           HB1      ARG  37  53.151  11.453   0.067
  284   1HG   ARG  37           HG2      ARG  37  51.310  12.272  -1.412
  285   2HG   ARG  37           HG1      ARG  37  50.896  12.350   0.301
  286   1HD   ARG  37           HD2      ARG  37  51.388  14.723   0.372
  287   2HD   ARG  37           HD1      ARG  37  52.000  14.687  -1.281
  288    HE   ARG  37           HE       ARG  37  49.133  14.366  -0.521
  289   1HH1  ARG  37           HH12     ARG  37  50.492  13.192  -3.130
  290   2HH1  ARG  37           HH11     ARG  37  49.942  14.368  -4.276
  291   1HH2  ARG  37           HH21     ARG  37  48.911  16.630  -1.858
  292   2HH2  ARG  37           HH22     ARG  37  49.047  16.315  -3.556
  293    H    ALA  38           HN       ALA  38  53.145  11.359   2.812
  294    HA   ALA  38           HA       ALA  38  50.479  11.393   3.617
  295   1HB   ALA  38           HB1      ALA  38  52.290   9.767   4.390
  296   2HB   ALA  38           HB3      ALA  38  52.781  10.995   5.555
  297   3HB   ALA  38           HB2      ALA  38  51.172  10.286   5.647
  298    H    ALA  39           HN       ALA  39  53.019  12.834   5.633
  299    HA   ALA  39           HA       ALA  39  52.010  15.476   5.700
  300   1HB   ALA  39           HB3      ALA  39  50.528  13.551   7.386
  301   2HB   ALA  39           HB2      ALA  39  51.068  15.002   8.231
  302   3HB   ALA  39           HB1      ALA  39  50.041  15.143   6.804
  303    H    ARG  40           HN       ARG  40  53.233  12.856   7.685
  304    HA   ARG  40           HA       ARG  40  55.798  13.996   8.143
  305   1HB   ARG  40           HB2      ARG  40  53.656  14.882   9.958
  306   2HB   ARG  40           HB1      ARG  40  55.051  14.189  10.783
  307   1HG   ARG  40           HG2      ARG  40  56.389  15.939  10.240
  308   2HG   ARG  40           HG1      ARG  40  55.764  16.017   8.592
  309   1HD   ARG  40           HD2      ARG  40  53.714  17.127   9.438
  310   2HD   ARG  40           HD1      ARG  40  54.387  17.096  11.068
  311    HE   ARG  40           HE       ARG  40  55.735  18.568   8.840
  312   1HH1  ARG  40           HH12     ARG  40  56.577  18.066  11.863
  313   2HH1  ARG  40           HH11     ARG  40  56.317  19.664  12.480
  314   1HH2  ARG  40           HH21     ARG  40  54.518  20.726   9.713
  315   2HH2  ARG  40           HH22     ARG  40  55.151  21.169  11.263
  316    H    ILE  41           HN       ILE  41  56.783  11.998   8.181
  317    HA   ILE  41           HA       ILE  41  55.597   9.584   8.875
  318    HB   ILE  41           HB       ILE  41  57.914   9.800   7.915
  319   1HG1  ILE  41           HG12     ILE  41  58.736   7.799   9.145
  320   2HG1  ILE  41           HG11     ILE  41  57.514   8.086  10.381
  321   1HG2  ILE  41           HG21     ILE  41  58.526  11.471   9.852
  322   2HG2  ILE  41           HG23     ILE  41  58.885   9.998  10.753
  323   3HG2  ILE  41           HG22     ILE  41  59.749  10.348   9.257
  324   1HD1  ILE  41           HD12     ILE  41  56.645   7.943   7.517
  325   2HD1  ILE  41           HD11     ILE  41  56.995   6.442   8.373
  326   3HD1  ILE  41           HD13     ILE  41  55.748   7.531   8.979
  327    H    SER  42           HN       SER  42  54.277   9.561  10.574
  328    HA   SER  42           HA       SER  42  55.641   9.674  13.165
  329   1HB   SER  42           HB2      SER  42  54.209  11.191  14.140
  330   2HB   SER  42           HB1      SER  42  54.259  11.833  12.495
  331    HG   SER  42           HG       SER  42  52.330  10.804  12.069
  332    H    LEU  43           HN       LEU  43  55.208   7.388  11.967
  333    HA   LEU  43           HA       LEU  43  52.806   6.372  13.359
  334   1HB   LEU  43           HB2      LEU  43  53.958   5.749  10.697
  335   2HB   LEU  43           HB1      LEU  43  53.387   4.360  11.624
  336    HG   LEU  43           HG       LEU  43  51.505   6.575  11.764
  337   1HD1  LEU  43           HD11     LEU  43  52.312   5.506   9.048
  338   2HD1  LEU  43           HD13     LEU  43  50.758   6.280   9.353
  339   3HD1  LEU  43           HD12     LEU  43  52.252   7.191   9.565
  340   1HD2  LEU  43           HD23     LEU  43  51.581   3.650  11.276
  341   2HD2  LEU  43           HD22     LEU  43  50.483   4.594  12.284
  342   3HD2  LEU  43           HD21     LEU  43  50.224   4.506  10.542
  343    H    GLY  44           HN       GLY  44  56.145   6.500  13.357
  344   1HA   GLY  44           HA2      GLY  44  56.740   5.141  15.615
  345   2HA   GLY  44           HA1      GLY  44  56.529   3.794  14.496
  346    HA   PRO  45           HA       PRO  45  60.935   5.530  14.115
  347   1HB   PRO  45           HB2      PRO  45  62.201   3.545  15.463
  348   2HB   PRO  45           HB1      PRO  45  61.568   4.990  16.260
  349   1HG   PRO  45           HG2      PRO  45  60.517   2.225  16.286
  350   2HG   PRO  45           HG1      PRO  45  60.413   3.485  17.522
  351   1HD   PRO  45           HD2      PRO  45  58.374   2.737  15.775
  352   2HD   PRO  45           HD1      PRO  45  58.412   4.211  16.743
  353    H    ARG  46           HN       ARG  46  60.486   1.988  14.426
  354    HA   ARG  46           HA       ARG  46  62.125   1.172  12.336
  355   1HB   ARG  46           HB2      ARG  46  60.986  -0.884  12.373
  356   2HB   ARG  46           HB1      ARG  46  60.655  -0.229  13.974
  357   1HG   ARG  46           HG2      ARG  46  58.776   0.164  11.628
  358   2HG   ARG  46           HG1      ARG  46  58.640  -1.187  12.749
  359   1HD   ARG  46           HD2      ARG  46  58.707   1.681  13.698
  360   2HD   ARG  46           HD1      ARG  46  57.207   0.862  13.280
  361    HE   ARG  46           HE       ARG  46  58.945  -0.501  15.243
  362   1HH1  ARG  46           HH12     ARG  46  56.615   1.966  14.878
  363   2HH1  ARG  46           HH11     ARG  46  55.654   1.466  16.230
  364   1HH2  ARG  46           HH21     ARG  46  57.530  -1.385  16.846
  365   2HH2  ARG  46           HH22     ARG  46  56.171  -0.432  17.343
  366    H    CYS  47           HN       CYS  47  59.032   2.741  12.180
  367    HA   CYS  47           HA       CYS  47  58.348   2.152   9.457
  368   1HB   CYS  47           HB2      CYS  47  57.331   3.743  11.603
  369   2HB   CYS  47           HB1      CYS  47  57.467   4.782  10.182
  370    H    ILE  48           HN       ILE  48  59.911   5.051  10.862
  371    HA   ILE  48           HA       ILE  48  60.271   6.616   8.666
  372    HB   ILE  48           HB       ILE  48  62.744   6.053  10.278
  373   1HG1  ILE  48           HG12     ILE  48  61.055   5.976  11.993
  374   2HG1  ILE  48           HG11     ILE  48  61.741   7.597  12.035
  375   1HG2  ILE  48           HG21     ILE  48  61.407   8.372   8.927
  376   2HG2  ILE  48           HG23     ILE  48  62.509   8.680  10.269
  377   3HG2  ILE  48           HG22     ILE  48  63.086   7.840   8.829
  378   1HD1  ILE  48           HD12     ILE  48  59.868   8.407  10.623
  379   2HD1  ILE  48           HD11     ILE  48  59.163   6.790  10.663
  380   3HD1  ILE  48           HD13     ILE  48  59.301   7.729  12.149
  381    H    LYS  49           HN       LYS  49  62.811   4.200   9.455
  382    HA   LYS  49           HA       LYS  49  63.807   4.339   6.718
  383   1HB   LYS  49           HB2      LYS  49  65.231   4.002   8.799
  384   2HB   LYS  49           HB1      LYS  49  64.616   2.349   8.842
  385   1HG   LYS  49           HG2      LYS  49  65.716   1.740   6.892
  386   2HG   LYS  49           HG1      LYS  49  65.737   3.389   6.266
  387   1HD   LYS  49           HD2      LYS  49  67.793   3.718   7.113
  388   2HD   LYS  49           HD1      LYS  49  67.215   3.307   8.729
  389   1HE   LYS  49           HE2      LYS  49  67.490   0.896   8.189
  390   2HE   LYS  49           HE1      LYS  49  68.138   1.342   6.612
  391   1HZ   LYS  49           HZ3      LYS  49  69.398   2.685   8.828
  392   2HZ   LYS  49           HZ2      LYS  49  69.609   0.999   8.840
  393   3HZ   LYS  49           HZ1      LYS  49  70.096   1.910   7.491
  394    H    ALA  50           HN       ALA  50  61.529   2.287   8.390
  395    HA   ALA  50           HA       ALA  50  61.891   0.017   6.647
  396   1HB   ALA  50           HB1      ALA  50  59.512   0.855   8.335
  397   2HB   ALA  50           HB3      ALA  50  59.666  -0.702   7.518
  398   3HB   ALA  50           HB2      ALA  50  60.781  -0.271   8.814
  399    H    PHE  51           HN       PHE  51  59.219   2.335   6.918
  400    HA   PHE  51           HA       PHE  51  58.179   1.763   4.370
  401   1HB   PHE  51           HB2      PHE  51  56.605   3.355   4.837
  402   2HB   PHE  51           HB1      PHE  51  57.254   3.211   6.464
  403    HD1  PHE  51           HD2      PHE  51  57.636   5.150   3.272
  404    HD2  PHE  51           HD1      PHE  51  58.225   5.086   7.514
  405    HE1  PHE  51           HE2      PHE  51  58.348   7.527   3.224
  406    HE2  PHE  51           HE1      PHE  51  58.945   7.439   7.457
  407    HZ   PHE  51           HZ       PHE  51  58.997   8.665   5.330
  408    H    THR  52           HN       THR  52  60.305   4.418   5.460
  409    HA   THR  52           HA       THR  52  60.525   5.726   2.986
  410    HB   THR  52           HB       THR  52  62.641   5.339   5.121
  411    HG1  THR  52           HG1      THR  52  61.872   7.255   5.875
  412   1HG2  THR  52           HG22     THR  52  62.524   7.197   2.735
  413   2HG2  THR  52           HG21     THR  52  63.626   7.421   4.093
  414   3HG2  THR  52           HG23     THR  52  63.754   5.981   3.083
  415    H    GLU  53           HN       GLU  53  62.361   2.973   4.206
  416    HA   GLU  53           HA       GLU  53  64.149   2.714   2.006
  417   1HB   GLU  53           HB2      GLU  53  64.667   1.692   4.117
  418   2HB   GLU  53           HB1      GLU  53  63.180   0.748   4.053
  419   1HG   GLU  53           HG2      GLU  53  65.206  -0.572   3.392
  420   2HG   GLU  53           HG1      GLU  53  63.983  -0.490   2.123
  421    H    CYS  54           HN       CYS  54  61.015   1.178   2.683
  422    HA   CYS  54           HA       CYS  54  61.157  -0.505   0.310
  423   1HB   CYS  54           HB2      CYS  54  59.134   0.067   2.437
  424   2HB   CYS  54           HB1      CYS  54  58.588  -0.672   0.932
  425    H    CYS  55           HN       CYS  55  60.015   2.649   1.086
  426    HA   CYS  55           HA       CYS  55  58.384   2.895  -1.343
  427   1HB   CYS  55           HB2      CYS  55  57.398   4.241   0.223
  428   2HB   CYS  55           HB1      CYS  55  58.886   4.434   1.132
  429    H    VAL  56           HN       VAL  56  61.612   3.586  -0.231
  430    HA   VAL  56           HA       VAL  56  62.248   5.336  -2.499
  431    HB   VAL  56           HB       VAL  56  64.068   3.918  -0.514
  432   1HG1  VAL  56           HG13     VAL  56  64.570   6.060  -2.592
  433   2HG1  VAL  56           HG12     VAL  56  65.709   5.672  -1.302
  434   3HG1  VAL  56           HG11     VAL  56  65.296   4.455  -2.510
  435   1HG2  VAL  56           HG21     VAL  56  62.296   5.967   0.003
  436   2HG2  VAL  56           HG23     VAL  56  63.765   5.647   0.924
  437   3HG2  VAL  56           HG22     VAL  56  63.781   6.843  -0.371
  438    H    VAL  57           HN       VAL  57  62.877   1.985  -1.501
  439    HA   VAL  57           HA       VAL  57  64.339   1.291  -3.883
  440    HB   VAL  57           HB       VAL  57  63.899  -1.029  -3.207
  441   1HG1  VAL  57           HG11     VAL  57  64.917   1.024  -1.367
  442   2HG1  VAL  57           HG13     VAL  57  64.425  -0.463  -0.557
  443   3HG1  VAL  57           HG12     VAL  57  65.637  -0.516  -1.837
  444   1HG2  VAL  57           HG21     VAL  57  61.986   0.258  -1.241
  445   2HG2  VAL  57           HG23     VAL  57  61.569  -0.834  -2.559
  446   3HG2  VAL  57           HG22     VAL  57  62.480  -1.433  -1.174
  447    H    ALA  58           HN       ALA  58  60.997   1.093  -2.779
  448    HA   ALA  58           HA       ALA  58  59.906  -0.019  -5.181
  449   1HB   ALA  58           HB1      ALA  58  58.728   1.764  -3.030
  450   2HB   ALA  58           HB3      ALA  58  57.773   1.076  -4.342
  451   3HB   ALA  58           HB2      ALA  58  58.551   0.014  -3.167
  452    H    SER  59           HN       SER  59  60.968   3.084  -4.121
  453    HA   SER  59           HA       SER  59  59.685   4.790  -5.985
  454   1HB   SER  59           HB2      SER  59  61.469   5.051  -3.946
  455   2HB   SER  59           HB1      SER  59  62.435   5.510  -5.340
  456    HG   SER  59           HG       SER  59  60.350   6.759  -5.847
  457    H    GLN  60           HN       GLN  60  62.913   3.321  -6.082
  458    HA   GLN  60           HA       GLN  60  63.491   4.133  -8.788
  459   1HB   GLN  60           HB2      GLN  60  64.810   2.792  -6.627
  460   2HB   GLN  60           HB1      GLN  60  64.975   1.822  -8.093
  461   1HG   GLN  60           HG2      GLN  60  66.054   3.555  -9.263
  462   2HG   GLN  60           HG1      GLN  60  65.427   4.795  -8.171
  463   1HE2  GLN  60           HE22     GLN  60  67.814   3.745  -5.537
  464   2HE2  GLN  60           HE21     GLN  60  66.135   3.954  -5.666
  465    H    LEU  61           HN       LEU  61  61.844   1.460  -7.331
  466    HA   LEU  61           HA       LEU  61  62.041  -0.377  -9.537
  467   1HB   LEU  61           HB2      LEU  61  60.267  -0.077  -7.127
  468   2HB   LEU  61           HB1      LEU  61  59.901  -1.293  -8.341
  469    HG   LEU  61           HG       LEU  61  62.367  -1.054  -6.653
  470   1HD1  LEU  61           HD13     LEU  61  59.995  -2.381  -6.236
  471   2HD1  LEU  61           HD12     LEU  61  60.991  -3.632  -6.977
  472   3HD1  LEU  61           HD11     LEU  61  61.536  -2.830  -5.505
  473   1HD2  LEU  61           HD22     LEU  61  61.949  -2.356  -9.289
  474   2HD2  LEU  61           HD21     LEU  61  63.439  -1.756  -8.559
  475   3HD2  LEU  61           HD23     LEU  61  62.784  -3.321  -8.071
  476    H    ARG  62           HN       ARG  62  59.840   2.203  -8.582
  477    HA   ARG  62           HA       ARG  62  58.230   1.700 -11.009
  478   1HB   ARG  62           HB2      ARG  62  56.578   3.199 -10.044
  479   2HB   ARG  62           HB1      ARG  62  57.055   2.013  -8.831
  480   1HG   ARG  62           HG2      ARG  62  58.474   3.590  -7.716
  481   2HG   ARG  62           HG1      ARG  62  58.345   4.742  -9.045
  482   1HD   ARG  62           HD2      ARG  62  56.440   5.607  -8.206
  483   2HD   ARG  62           HD1      ARG  62  55.716   4.006  -8.055
  484    HE   ARG  62           HE       ARG  62  56.559   3.879  -5.793
  485   1HH1  ARG  62           HH12     ARG  62  56.146   6.974  -6.965
  486   2HH1  ARG  62           HH11     ARG  62  57.133   7.757  -5.777
  487   1HH2  ARG  62           HH21     ARG  62  58.374   4.796  -4.469
  488   2HH2  ARG  62           HH22     ARG  62  58.397   6.525  -4.367
  489    H    ALA  63           HN       ALA  63  60.848   3.631 -10.056
  490    HA   ALA  63           HA       ALA  63  60.081   5.827 -11.910
  491   1HB   ALA  63           HB1      ALA  63  61.110   6.126  -9.503
  492   2HB   ALA  63           HB3      ALA  63  62.631   5.792 -10.329
  493   3HB   ALA  63           HB2      ALA  63  61.645   7.169 -10.822
  494    H    ASN  64           HN       ASN  64  60.958   3.045 -12.741
  495    HA   ASN  64           HA       ASN  64  62.903   3.950 -14.748
  496   1HB   ASN  64           HB2      ASN  64  63.611   2.105 -12.498
  497   2HB   ASN  64           HB1      ASN  64  64.309   1.801 -14.089
  498   1HD2  ASN  64           HD22     ASN  64  66.446   4.248 -12.120
  499   2HD2  ASN  64           HD21     ASN  64  65.804   2.727 -11.723
  500    H    ILE  65           HN       ILE  65  62.154   0.695 -13.496
  501    HA   ILE  65           HA       ILE  65  61.716  -0.409 -16.086
  502    HB   ILE  65           HB       ILE  65  60.318  -1.536 -13.677
  503   1HG1  ILE  65           HG12     ILE  65  62.382  -0.959 -12.650
  504   2HG1  ILE  65           HG11     ILE  65  62.599  -2.631 -13.160
  505   1HG2  ILE  65           HG21     ILE  65  61.099  -2.406 -16.294
  506   2HG2  ILE  65           HG23     ILE  65  61.961  -3.377 -15.101
  507   3HG2  ILE  65           HG22     ILE  65  60.200  -3.299 -15.067
  508   1HD1  ILE  65           HD13     ILE  65  63.395  -1.261 -15.403
  509   2HD1  ILE  65           HD12     ILE  65  63.947  -0.192 -14.114
  510   3HD1  ILE  65           HD11     ILE  65  64.490  -1.870 -14.161
  511    H    SER  66           HN       SER  66  59.356  -1.620 -16.321
  512    HA   SER  66           HA       SER  66  57.056  -0.048 -15.587
  513   1HB   SER  66           HB2      SER  66  58.482   1.172 -17.567
  514   2HB   SER  66           HB1      SER  66  57.416   0.147 -18.521
  515    HG   SER  66           HG       SER  66  56.860   2.356 -16.983
  516    H    HIS  67           HN       HIS  67  57.855  -2.820 -15.641
  517    HA   HIS  67           HA       HIS  67  55.576  -3.900 -17.183
  518   1HB   HIS  67           HB2      HIS  67  57.991  -3.958 -18.399
  519   2HB   HIS  67           HB1      HIS  67  58.093  -5.450 -17.467
  520    HD1  HIS  67           HD1      HIS  67  57.964  -6.036 -20.331
  521    HD2  HIS  67           HD2      HIS  67  54.475  -5.276 -18.179
  522    HE1  HIS  67           HE1      HIS  67  56.064  -7.055 -21.662
  523    H    LYS  68           HN       LYS  68  56.812  -6.650 -16.734
  524    HA   LYS  68           HA       LYS  68  55.542  -7.431 -14.409
  525   1HB   LYS  68           HB2      LYS  68  58.127  -8.416 -15.627
  526   2HB   LYS  68           HB1      LYS  68  57.419  -9.187 -14.207
  527   1HG   LYS  68           HG2      LYS  68  56.071  -8.819 -16.897
  528   2HG   LYS  68           HG1      LYS  68  56.663 -10.341 -16.229
  529   1HD   LYS  68           HD2      LYS  68  54.620 -10.614 -15.316
  530   2HD   LYS  68           HD1      LYS  68  55.028  -9.294 -14.218
  531   1HE   LYS  68           HE2      LYS  68  54.228  -7.707 -16.060
  532   2HE   LYS  68           HE1      LYS  68  53.546  -9.129 -16.848
  533   1HZ   LYS  68           HZ1      LYS  68  52.860  -9.121 -14.110
  534   2HZ   LYS  68           HZ3      LYS  68  52.426  -7.633 -14.802
  535   3HZ   LYS  68           HZ2      LYS  68  51.836  -9.083 -15.466
  536    H    ASP  69           HN       ASP  69  58.900  -6.258 -14.607
  537    HA   ASP  69           HA       ASP  69  59.463  -6.348 -11.840
  538   1HB   ASP  69           HB2      ASP  69  60.658  -5.138 -14.242
  539   2HB   ASP  69           HB1      ASP  69  60.931  -4.206 -12.769
  540    H    MET  70           HN       MET  70  58.452  -3.586 -13.895
  541    HA   MET  70           HA       MET  70  57.945  -1.898 -11.583
  542   1HB   MET  70           HB2      MET  70  58.521  -1.160 -13.991
  543   2HB   MET  70           HB1      MET  70  56.820  -1.442 -14.348
  544   1HG   MET  70           HG2      MET  70  57.633   0.241 -11.991
  545   2HG   MET  70           HG1      MET  70  57.536   0.942 -13.606
  546   1HE   MET  70           HE2      MET  70  55.921   2.130 -14.229
  547   2HE   MET  70           HE1      MET  70  54.212   2.128 -13.799
  548   3HE   MET  70           HE3      MET  70  55.421   2.679 -12.632
  549    H    GLN  71           HN       GLN  71  55.572  -2.801 -14.112
  550    HA   GLN  71           HA       GLN  71  53.217  -2.341 -12.820
  551   1HB   GLN  71           HB2      GLN  71  53.600  -3.489 -15.094
  552   2HB   GLN  71           HB1      GLN  71  53.640  -5.001 -14.187
  553   1HG   GLN  71           HG2      GLN  71  51.405  -4.230 -13.156
  554   2HG   GLN  71           HG1      GLN  71  51.356  -3.046 -14.464
  555   1HE2  GLN  71           HE22     GLN  71  50.941  -5.554 -17.027
  556   2HE2  GLN  71           HE21     GLN  71  51.634  -4.030 -16.749
  557    H    LEU  72           HN       LEU  72  55.408  -5.050 -12.123
  558    HA   LEU  72           HA       LEU  72  53.604  -5.818  -9.857
  559   1HB   LEU  72           HB2      LEU  72  55.044  -7.339 -11.832
  560   2HB   LEU  72           HB1      LEU  72  55.623  -7.771 -10.224
  561    HG   LEU  72           HG       LEU  72  53.293  -8.153  -9.513
  562   1HD1  LEU  72           HD12     LEU  72  52.433  -6.417 -11.165
  563   2HD1  LEU  72           HD11     LEU  72  52.576  -7.662 -12.406
  564   3HD1  LEU  72           HD13     LEU  72  51.476  -7.894 -11.047
  565   1HD2  LEU  72           HD23     LEU  72  54.670  -9.628 -11.624
  566   2HD2  LEU  72           HD22     LEU  72  53.785 -10.249 -10.230
  567   3HD2  LEU  72           HD21     LEU  72  52.921  -9.843 -11.714
  568    H    GLY  73           HN       GLY  73  57.076  -6.284 -10.392
  569   1HA   GLY  73           HA2      GLY  73  58.048  -6.142  -7.856
  570   2HA   GLY  73           HA1      GLY  73  58.915  -5.407  -9.204
  571    H    ARG  74           HN       ARG  74  57.143  -3.352  -9.858
  572    HA   ARG  74           HA       ARG  74  57.182  -1.028  -9.250
  573   1HB   ARG  74           HB2      ARG  74  55.256  -0.603  -7.815
  574   2HB   ARG  74           HB1      ARG  74  54.889  -1.933  -8.911
  575   1HG   ARG  74           HG2      ARG  74  54.164  -2.864  -6.926
  576   2HG   ARG  74           HG1      ARG  74  55.844  -3.390  -6.887
  577   1HD   ARG  74           HD2      ARG  74  55.982  -2.353  -4.886
  578   2HD   ARG  74           HD1      ARG  74  55.939  -0.838  -5.788
  579    HE   ARG  74           HE       ARG  74  53.894  -1.689  -4.043
  580   1HH1  ARG  74           HH21     ARG  74  54.305   0.832  -5.941
  581   2HH1  ARG  74           HH22     ARG  74  52.733   0.875  -6.666
  582   1HH2  ARG  74           HH12     ARG  74  51.845  -2.289  -5.560
  583   2HH2  ARG  74           HH11     ARG  74  51.340  -0.892  -6.451
   
  No H/Q in entry =         583
  Start of MODEL   20
    1    H    MET   1           HN       MET   1  55.200 -11.064 -10.149
    2    HA   MET   1           HA       MET   1  55.766 -10.501  -7.852
    3   1HB   MET   1           HB2      MET   1  57.557  -9.046  -9.787
    4   2HB   MET   1           HB1      MET   1  57.857  -9.070  -8.049
    5   1HG   MET   1           HG2      MET   1  58.926 -11.033  -8.371
    6   2HG   MET   1           HG1      MET   1  57.342 -11.738  -8.688
    7   1HE   MET   1           HE3      MET   1  56.824 -12.963 -10.647
    8   2HE   MET   1           HE2      MET   1  58.060 -13.340 -11.844
    9   3HE   MET   1           HE1      MET   1  58.394 -13.594 -10.134
   10    H    LEU   2           HN       LEU   2  53.591  -9.195  -7.719
   11    HA   LEU   2           HA       LEU   2  53.813  -6.306  -7.796
   12   1HB   LEU   2           HB2      LEU   2  51.671  -7.767  -7.885
   13   2HB   LEU   2           HB1      LEU   2  51.829  -7.852  -6.132
   14    HG   LEU   2           HG       LEU   2  52.084  -5.229  -6.339
   15   1HD1  LEU   2           HD12     LEU   2  51.187  -6.108  -9.005
   16   2HD1  LEU   2           HD11     LEU   2  50.201  -4.827  -8.299
   17   3HD1  LEU   2           HD13     LEU   2  51.935  -4.588  -8.514
   18   1HD2  LEU   2           HD23     LEU   2  49.972  -7.017  -5.773
   19   2HD2  LEU   2           HD22     LEU   2  50.086  -5.322  -5.298
   20   3HD2  LEU   2           HD21     LEU   2  49.278  -5.764  -6.802
   21    H    GLN   3           HN       GLN   3  55.544  -8.283  -5.936
   22    HA   GLN   3           HA       GLN   3  56.179  -6.369  -3.944
   23   1HB   GLN   3           HB2      GLN   3  55.060  -7.184  -1.980
   24   2HB   GLN   3           HB1      GLN   3  53.815  -6.964  -3.209
   25   1HG   GLN   3           HG2      GLN   3  54.450  -9.500  -3.768
   26   2HG   GLN   3           HG1      GLN   3  54.924  -9.489  -2.068
   27   1HE2  GLN   3           HE22     GLN   3  51.490 -10.281  -1.505
   28   2HE2  GLN   3           HE21     GLN   3  53.061 -10.920  -1.574
   29    H    LYS   4           HN       LYS   4  57.840  -7.875  -5.411
   30    HA   LYS   4           HA       LYS   4  58.572 -10.289  -3.882
   31   1HB   LYS   4           HB2      LYS   4  58.675  -9.714  -6.551
   32   2HB   LYS   4           HB1      LYS   4  60.337  -9.391  -6.071
   33   1HG   LYS   4           HG2      LYS   4  58.774 -11.960  -5.792
   34   2HG   LYS   4           HG1      LYS   4  60.294 -11.697  -6.642
   35   1HD   LYS   4           HD2      LYS   4  59.867 -11.611  -3.640
   36   2HD   LYS   4           HD1      LYS   4  60.756 -12.835  -4.539
   37   1HE   LYS   4           HE2      LYS   4  61.730 -10.158  -5.142
   38   2HE   LYS   4           HE1      LYS   4  61.825 -10.509  -3.415
   39   1HZ   LYS   4           HZ3      LYS   4  62.744 -12.473  -5.418
   40   2HZ   LYS   4           HZ2      LYS   4  63.761 -11.212  -4.906
   41   3HZ   LYS   4           HZ1      LYS   4  63.172 -12.342  -3.782
   42    H    LYS   5           HN       LYS   5  60.367  -7.441  -5.128
   43    HA   LYS   5           HA       LYS   5  62.482  -7.836  -3.220
   44   1HB   LYS   5           HB2      LYS   5  63.321  -6.716  -5.041
   45   2HB   LYS   5           HB1      LYS   5  61.805  -5.874  -5.347
   46   1HG   LYS   5           HG2      LYS   5  63.472  -4.269  -4.614
   47   2HG   LYS   5           HG1      LYS   5  62.249  -4.442  -3.363
   48   1HD   LYS   5           HD2      LYS   5  63.902  -6.312  -2.477
   49   2HD   LYS   5           HD1      LYS   5  65.087  -5.382  -3.397
   50   1HE   LYS   5           HE2      LYS   5  63.538  -3.493  -1.976
   51   2HE   LYS   5           HE1      LYS   5  63.922  -4.775  -0.828
   52   1HZ   LYS   5           HZ1      LYS   5  66.265  -4.493  -2.038
   53   2HZ   LYS   5           HZ3      LYS   5  65.687  -2.905  -2.182
   54   3HZ   LYS   5           HZ2      LYS   5  65.828  -3.620  -0.648
   55    H    ILE   6           HN       ILE   6  59.381  -6.513  -2.974
   56    HA   ILE   6           HA       ILE   6  60.182  -4.759  -0.710
   57    HB   ILE   6           HB       ILE   6  57.438  -5.090  -1.937
   58   1HG1  ILE   6           HG12     ILE   6  59.348  -4.399  -3.502
   59   2HG1  ILE   6           HG11     ILE   6  57.969  -3.292  -3.412
   60   1HG2  ILE   6           HG23     ILE   6  58.360  -3.782   0.382
   61   2HG2  ILE   6           HG22     ILE   6  58.128  -2.504  -0.807
   62   3HG2  ILE   6           HG21     ILE   6  56.791  -3.574  -0.394
   63   1HD1  ILE   6           HD12     ILE   6  60.536  -3.004  -1.817
   64   2HD1  ILE   6           HD11     ILE   6  60.159  -2.102  -3.285
   65   3HD1  ILE   6           HD13     ILE   6  59.186  -1.870  -1.832
   66    H    GLU   7           HN       GLU   7  58.464  -7.715  -1.495
   67    HA   GLU   7           HA       GLU   7  57.365  -8.047   1.190
   68   1HB   GLU   7           HB2      GLU   7  56.327  -9.175  -0.763
   69   2HB   GLU   7           HB1      GLU   7  57.814 -10.092  -1.014
   70   1HG   GLU   7           HG2      GLU   7  56.593 -11.609   0.248
   71   2HG   GLU   7           HG1      GLU   7  57.458 -10.751   1.523
   72    H    GLU   8           HN       GLU   8  60.369  -8.552  -0.419
   73    HA   GLU   8           HA       GLU   8  61.401 -10.525   1.461
   74   1HB   GLU   8           HB2      GLU   8  63.470 -10.308   0.266
   75   2HB   GLU   8           HB1      GLU   8  62.196 -10.188  -0.946
   76   1HG   GLU   8           HG2      GLU   8  62.382  -7.771  -1.014
   77   2HG   GLU   8           HG1      GLU   8  63.481  -7.785   0.376
   78    H    ILE   9           HN       ILE   9  61.665  -7.003   1.014
   79    HA   ILE   9           HA       ILE   9  63.446  -6.689   3.305
   80    HB   ILE   9           HB       ILE   9  63.546  -5.041   1.513
   81   1HG1  ILE   9           HG12     ILE   9  63.473  -3.053   2.838
   82   2HG1  ILE   9           HG11     ILE   9  62.197  -3.705   3.864
   83   1HG2  ILE   9           HG22     ILE   9  60.635  -4.568   2.200
   84   2HG2  ILE   9           HG21     ILE   9  61.588  -3.539   1.130
   85   3HG2  ILE   9           HG23     ILE   9  61.269  -5.215   0.689
   86   1HD1  ILE   9           HD12     ILE   9  64.745  -5.245   3.724
   87   2HD1  ILE   9           HD11     ILE   9  64.769  -3.728   4.623
   88   3HD1  ILE   9           HD13     ILE   9  63.649  -5.009   5.085
   89    H    ALA  10           HN       ALA  10  60.036  -6.760   2.709
   90    HA   ALA  10           HA       ALA  10  59.236  -5.519   5.209
   91   1HB   ALA  10           HB3      ALA  10  57.799  -7.277   3.212
   92   2HB   ALA  10           HB2      ALA  10  57.018  -6.605   4.644
   93   3HB   ALA  10           HB1      ALA  10  57.653  -5.530   3.398
   94    H    ALA  11           HN       ALA  11  59.546  -8.833   3.998
   95    HA   ALA  11           HA       ALA  11  58.779 -10.065   6.505
   96   1HB   ALA  11           HB3      ALA  11  58.706 -11.097   4.147
   97   2HB   ALA  11           HB2      ALA  11  60.440 -11.352   4.339
   98   3HB   ALA  11           HB1      ALA  11  59.307 -12.123   5.450
   99    H    LYS  12           HN       LYS  12  61.800  -8.959   5.064
  100    HA   LYS  12           HA       LYS  12  63.335 -10.326   7.192
  101   1HB   LYS  12           HB2      LYS  12  65.306  -9.652   6.051
  102   2HB   LYS  12           HB1      LYS  12  64.158 -10.062   4.778
  103   1HG   LYS  12           HG2      LYS  12  64.487  -8.012   3.931
  104   2HG   LYS  12           HG1      LYS  12  63.673  -7.358   5.356
  105   1HD   LYS  12           HD2      LYS  12  65.707  -6.259   5.519
  106   2HD   LYS  12           HD1      LYS  12  66.074  -7.712   6.449
  107   1HE   LYS  12           HE2      LYS  12  67.879  -7.693   4.994
  108   2HE   LYS  12           HE1      LYS  12  66.741  -8.671   4.069
  109   1HZ   LYS  12           HZ1      LYS  12  66.531  -5.798   3.711
  110   2HZ   LYS  12           HZ3      LYS  12  67.944  -6.509   3.100
  111   3HZ   LYS  12           HZ2      LYS  12  66.424  -7.048   2.566
  112    H    TYR  13           HN       TYR  13  61.531  -8.579   8.284
  113    HA   TYR  13           HA       TYR  13  63.223  -6.258   9.105
  114   1HB   TYR  13           HB2      TYR  13  60.263  -6.627   8.832
  115   2HB   TYR  13           HB1      TYR  13  60.867  -5.520  10.061
  116    HD1  TYR  13           HD1      TYR  13  63.259  -4.374   8.898
  117    HD2  TYR  13           HD2      TYR  13  59.520  -5.337   7.025
  118    HE1  TYR  13           HE1      TYR  13  63.693  -2.660   7.160
  119    HE2  TYR  13           HE2      TYR  13  59.956  -3.633   5.281
  120    HH   TYR  13           HH       TYR  13  63.005  -1.799   5.217
  121    H    LYS  14           HN       LYS  14  63.583  -5.943  11.301
  122    HA   LYS  14           HA       LYS  14  63.198  -8.318  12.996
  123   1HB   LYS  14           HB2      LYS  14  65.053  -6.115  12.876
  124   2HB   LYS  14           HB1      LYS  14  64.356  -6.213  14.494
  125   1HG   LYS  14           HG2      LYS  14  65.932  -7.814  14.841
  126   2HG   LYS  14           HG1      LYS  14  64.826  -8.857  13.946
  127   1HD   LYS  14           HD2      LYS  14  65.981  -8.289  11.843
  128   2HD   LYS  14           HD1      LYS  14  67.087  -7.239  12.730
  129   1HE   LYS  14           HE2      LYS  14  67.774  -9.732  12.183
  130   2HE   LYS  14           HE1      LYS  14  68.184  -9.020  13.743
  131   1HZ   LYS  14           HZ3      LYS  14  65.736 -10.612  13.218
  132   2HZ   LYS  14           HZ2      LYS  14  67.153 -11.235  13.919
  133   3HZ   LYS  14           HZ1      LYS  14  66.264 -10.029  14.720
  134    H    HIS  15           HN       HIS  15  60.759  -6.983  12.349
  135    HA   HIS  15           HA       HIS  15  59.627  -6.693  14.962
  136   1HB   HIS  15           HB2      HIS  15  60.883  -4.336  13.944
  137   2HB   HIS  15           HB1      HIS  15  59.140  -4.077  13.912
  138    HD1  HIS  15           HD1      HIS  15  61.274  -2.823  16.009
  139    HD2  HIS  15           HD2      HIS  15  58.602  -5.940  16.729
  140    HE1  HIS  15           HE1      HIS  15  60.920  -2.899  18.516
  141    H    SER  16           HN       SER  16  57.672  -7.558  14.555
  142    HA   SER  16           HA       SER  16  56.424  -7.945  12.107
  143   1HB   SER  16           HB2      SER  16  54.569  -8.606  13.303
  144   2HB   SER  16           HB1      SER  16  55.759  -8.593  14.600
  145    HG   SER  16           HG       SER  16  54.232  -7.332  15.420
  146    H    VAL  17           HN       VAL  17  56.047  -4.990  14.140
  147    HA   VAL  17           HA       VAL  17  54.034  -3.785  12.532
  148    HB   VAL  17           HB       VAL  17  56.151  -2.382  14.183
  149   1HG1  VAL  17           HG13     VAL  17  54.352  -1.252  12.509
  150   2HG1  VAL  17           HG12     VAL  17  53.351  -1.412  13.952
  151   3HG1  VAL  17           HG11     VAL  17  54.857  -0.497  14.021
  152   1HG2  VAL  17           HG23     VAL  17  54.314  -4.304  15.040
  153   2HG2  VAL  17           HG22     VAL  17  55.121  -3.112  16.060
  154   3HG2  VAL  17           HG21     VAL  17  53.524  -2.768  15.397
  155    H    VAL  18           HN       VAL  18  57.556  -3.831  12.199
  156    HA   VAL  18           HA       VAL  18  57.812  -1.675  10.345
  157    HB   VAL  18           HB       VAL  18  59.424  -4.214  10.111
  158   1HG1  VAL  18           HG12     VAL  18  59.630  -1.911   8.785
  159   2HG1  VAL  18           HG11     VAL  18  60.564  -1.471  10.216
  160   3HG1  VAL  18           HG13     VAL  18  61.047  -2.854   9.236
  161   1HG2  VAL  18           HG21     VAL  18  59.006  -2.822  12.548
  162   2HG2  VAL  18           HG23     VAL  18  60.200  -4.073  12.202
  163   3HG2  VAL  18           HG22     VAL  18  60.611  -2.378  11.971
  164    H    LYS  19           HN       LYS  19  56.340  -4.761  10.094
  165    HA   LYS  19           HA       LYS  19  56.637  -5.230   7.286
  166   1HB   LYS  19           HB2      LYS  19  55.745  -6.835   9.091
  167   2HB   LYS  19           HB1      LYS  19  54.202  -6.001   8.902
  168   1HG   LYS  19           HG2      LYS  19  53.810  -6.913   6.852
  169   2HG   LYS  19           HG1      LYS  19  55.507  -6.819   6.375
  170   1HD   LYS  19           HD2      LYS  19  55.589  -8.686   8.393
  171   2HD   LYS  19           HD1      LYS  19  54.036  -9.036   7.634
  172   1HE   LYS  19           HE2      LYS  19  55.160  -9.128   5.421
  173   2HE   LYS  19           HE1      LYS  19  56.709  -8.848   6.215
  174   1HZ   LYS  19           HZ3      LYS  19  55.901 -10.880   7.643
  175   2HZ   LYS  19           HZ2      LYS  19  55.005 -11.225   6.241
  176   3HZ   LYS  19           HZ1      LYS  19  56.697 -11.104   6.162
  177    H    LYS  20           HN       LYS  20  54.021  -3.632   9.145
  178    HA   LYS  20           HA       LYS  20  52.491  -2.902   6.821
  179   1HB   LYS  20           HB2      LYS  20  51.314  -2.841   8.874
  180   2HB   LYS  20           HB1      LYS  20  52.574  -1.892   9.661
  181   1HG   LYS  20           HG2      LYS  20  51.620   0.043   9.004
  182   2HG   LYS  20           HG1      LYS  20  51.558  -0.494   7.323
  183   1HD   LYS  20           HD2      LYS  20  49.286  -0.108   8.052
  184   2HD   LYS  20           HD1      LYS  20  49.515  -1.853   7.927
  185   1HE   LYS  20           HE2      LYS  20  48.421  -1.503  10.020
  186   2HE   LYS  20           HE1      LYS  20  50.113  -1.810  10.414
  187   1HZ   LYS  20           HZ3      LYS  20  49.041   0.923  10.034
  188   2HZ   LYS  20           HZ2      LYS  20  49.042   0.149  11.545
  189   3HZ   LYS  20           HZ1      LYS  20  50.509   0.466  10.749
  190    H    CYS  21           HN       CYS  21  54.781  -1.066   8.847
  191    HA   CYS  21           HA       CYS  21  54.731   1.393   7.528
  192   1HB   CYS  21           HB2      CYS  21  57.015  -0.137   8.788
  193   2HB   CYS  21           HB1      CYS  21  57.205   1.502   8.181
  194    H    CYS  22           HN       CYS  22  56.591  -1.506   6.673
  195    HA   CYS  22           HA       CYS  22  57.779  -0.309   4.307
  196   1HB   CYS  22           HB2      CYS  22  58.984  -2.113   5.232
  197   2HB   CYS  22           HB1      CYS  22  57.543  -3.110   5.411
  198    H    TYR  23           HN       TYR  23  54.836  -2.052   5.063
  199    HA   TYR  23           HA       TYR  23  54.081  -2.867   2.462
  200   1HB   TYR  23           HB2      TYR  23  52.794  -2.532   5.031
  201   2HB   TYR  23           HB1      TYR  23  51.720  -2.056   3.729
  202    HD1  TYR  23           HD2      TYR  23  51.640  -3.638   1.646
  203    HD2  TYR  23           HD1      TYR  23  53.020  -4.755   5.547
  204    HE1  TYR  23           HE2      TYR  23  51.258  -6.028   1.091
  205    HE2  TYR  23           HE1      TYR  23  52.646  -7.107   4.994
  206    HH   TYR  23           HH       TYR  23  52.549  -8.432   2.393
  207    H    ASP  24           HN       ASP  24  53.275   0.138   4.220
  208    HA   ASP  24           HA       ASP  24  52.040   1.405   1.947
  209   1HB   ASP  24           HB2      ASP  24  53.360   3.012   4.102
  210   2HB   ASP  24           HB1      ASP  24  51.808   3.270   3.313
  211    H    GLY  25           HN       GLY  25  55.286   1.673   3.422
  212   1HA   GLY  25           HA2      GLY  25  56.510   3.583   1.867
  213   2HA   GLY  25           HA1      GLY  25  57.342   2.087   2.308
  214    H    ALA  26           HN       ALA  26  56.178   0.152   0.879
  215    HA   ALA  26           HA       ALA  26  57.058   0.635  -1.827
  216   1HB   ALA  26           HB1      ALA  26  56.460  -1.612  -0.269
  217   2HB   ALA  26           HB3      ALA  26  55.244  -1.628  -1.547
  218   3HB   ALA  26           HB2      ALA  26  56.958  -1.618  -1.961
  219    H    CYS  27           HN       CYS  27  53.901   0.590  -0.222
  220    HA   CYS  27           HA       CYS  27  52.453   0.948  -2.751
  221   1HB   CYS  27           HB2      CYS  27  51.734   0.682   0.132
  222   2HB   CYS  27           HB1      CYS  27  50.589   1.521  -0.914
  223    HG   CYS  27           HG       CYS  27  50.655  -1.362  -0.788
  224    H    VAL  28           HN       VAL  28  54.460   2.940  -1.284
  225    HA   VAL  28           HA       VAL  28  53.572   5.313  -0.452
  226    HB   VAL  28           HB       VAL  28  55.845   5.229  -1.065
  227   1HG1  VAL  28           HG13     VAL  28  54.829   4.446  -3.804
  228   2HG1  VAL  28           HG12     VAL  28  56.506   4.906  -3.507
  229   3HG1  VAL  28           HG11     VAL  28  55.824   3.492  -2.704
  230   1HG2  VAL  28           HG22     VAL  28  54.449   7.389  -1.764
  231   2HG2  VAL  28           HG21     VAL  28  56.162   7.256  -2.161
  232   3HG2  VAL  28           HG23     VAL  28  54.943   6.900  -3.383
  233    H    ASN  29           HN       ASN  29  52.118   6.882  -1.056
  234    HA   ASN  29           HA       ASN  29  50.284   6.454  -3.201
  235   1HB   ASN  29           HB2      ASN  29  50.781   8.519  -1.180
  236   2HB   ASN  29           HB1      ASN  29  50.159   9.174  -2.694
  237   1HD2  ASN  29           HD22     ASN  29  46.986   8.346  -1.280
  238   2HD2  ASN  29           HD21     ASN  29  48.074   9.615  -1.574
  239    H    ASN  30           HN       ASN  30  52.529   9.231  -2.946
  240    HA   ASN  30           HA       ASN  30  52.487   9.599  -5.836
  241   1HB   ASN  30           HB2      ASN  30  53.996  11.447  -5.426
  242   2HB   ASN  30           HB1      ASN  30  52.765  11.466  -4.164
  243   1HD2  ASN  30           HD22     ASN  30  56.553  11.299  -3.023
  244   2HD2  ASN  30           HD21     ASN  30  56.017  11.861  -4.532
  245    H    ASP  31           HN       ASP  31  55.470  10.280  -5.788
  246    HA   ASP  31           HA       ASP  31  56.435   7.465  -6.098
  247   1HB   ASP  31           HB2      ASP  31  56.247   9.345  -8.072
  248   2HB   ASP  31           HB1      ASP  31  57.899   9.608  -7.514
  249    H    GLU  32           HN       GLU  32  57.858  10.737  -5.706
  250    HA   GLU  32           HA       GLU  32  60.149   9.657  -4.289
  251   1HB   GLU  32           HB2      GLU  32  59.198  12.344  -5.110
  252   2HB   GLU  32           HB1      GLU  32  60.260  12.290  -3.701
  253   1HG   GLU  32           HG2      GLU  32  60.856  11.033  -6.397
  254   2HG   GLU  32           HG1      GLU  32  61.563  12.530  -5.788
  255    H    THR  33           HN       THR  33  58.649  12.436  -2.808
  256    HA   THR  33           HA       THR  33  58.912  11.556  -0.171
  257    HB   THR  33           HB       THR  33  56.974  13.215   0.272
  258    HG1  THR  33           HG1      THR  33  57.450  13.840  -2.438
  259   1HG2  THR  33           HG21     THR  33  59.705  13.560  -0.505
  260   2HG2  THR  33           HG23     THR  33  58.767  14.896  -1.171
  261   3HG2  THR  33           HG22     THR  33  58.736  14.576   0.563
  262    H    CYS  34           HN       CYS  34  58.225   9.327  -0.134
  263    HA   CYS  34           HA       CYS  34  55.546   8.512  -0.761
  264   1HB   CYS  34           HB2      CYS  34  56.154   6.635   1.014
  265   2HB   CYS  34           HB1      CYS  34  56.892   6.640  -0.581
  266    H    GLU  35           HN       GLU  35  56.576   8.060   2.592
  267    HA   GLU  35           HA       GLU  35  54.000   8.859   3.574
  268   1HB   GLU  35           HB2      GLU  35  56.654   8.632   5.003
  269   2HB   GLU  35           HB1      GLU  35  55.125   8.907   5.825
  270   1HG   GLU  35           HG2      GLU  35  55.479   6.596   3.929
  271   2HG   GLU  35           HG1      GLU  35  55.926   6.467   5.631
  272    H    GLN  36           HN       GLN  36  56.986  10.554   2.894
  273    HA   GLN  36           HA       GLN  36  56.535  12.983   4.280
  274   1HB   GLN  36           HB2      GLN  36  57.854  12.300   1.652
  275   2HB   GLN  36           HB1      GLN  36  57.638  13.991   2.109
  276   1HG   GLN  36           HG2      GLN  36  58.859  12.027   4.040
  277   2HG   GLN  36           HG1      GLN  36  59.848  12.804   2.803
  278   1HE2  GLN  36           HE22     GLN  36  59.786  15.991   4.369
  279   2HE2  GLN  36           HE21     GLN  36  60.177  15.132   2.958
  280    H    ARG  37           HN       ARG  37  55.254  11.644   1.286
  281    HA   ARG  37           HA       ARG  37  53.593  13.944   0.653
  282   1HB   ARG  37           HB2      ARG  37  54.126  12.390  -1.139
  283   2HB   ARG  37           HB1      ARG  37  53.480  11.034  -0.215
  284   1HG   ARG  37           HG2      ARG  37  51.428  11.430  -1.043
  285   2HG   ARG  37           HG1      ARG  37  51.461  13.060  -0.369
  286   1HD   ARG  37           HD2      ARG  37  53.150  12.909  -2.715
  287   2HD   ARG  37           HD1      ARG  37  51.519  12.358  -3.095
  288    HE   ARG  37           HE       ARG  37  51.730  14.901  -1.604
  289   1HH1  ARG  37           HH21     ARG  37  52.074  13.633  -4.734
  290   2HH1  ARG  37           HH22     ARG  37  51.003  14.769  -5.483
  291   1HH2  ARG  37           HH12     ARG  37  49.996  16.198  -2.489
  292   2HH2  ARG  37           HH11     ARG  37  49.826  16.220  -4.212
  293    H    ALA  38           HN       ALA  38  53.262  10.911   2.463
  294    HA   ALA  38           HA       ALA  38  50.543  10.787   3.009
  295   1HB   ALA  38           HB3      ALA  38  52.309   9.283   4.022
  296   2HB   ALA  38           HB2      ALA  38  52.668  10.574   5.168
  297   3HB   ALA  38           HB1      ALA  38  51.081   9.813   5.168
  298    H    ALA  39           HN       ALA  39  52.745  12.469   5.226
  299    HA   ALA  39           HA       ALA  39  51.483  15.005   5.139
  300   1HB   ALA  39           HB2      ALA  39  50.299  13.078   7.153
  301   2HB   ALA  39           HB1      ALA  39  50.184  14.829   7.333
  302   3HB   ALA  39           HB3      ALA  39  49.444  14.035   5.944
  303    H    ARG  40           HN       ARG  40  52.782  12.563   7.306
  304    HA   ARG  40           HA       ARG  40  55.181  13.963   7.926
  305   1HB   ARG  40           HB2      ARG  40  52.838  14.806   9.450
  306   2HB   ARG  40           HB1      ARG  40  54.105  14.156  10.493
  307   1HG   ARG  40           HG2      ARG  40  55.750  15.670   9.428
  308   2HG   ARG  40           HG1      ARG  40  54.467  16.340   8.420
  309   1HD   ARG  40           HD2      ARG  40  53.623  17.597  10.113
  310   2HD   ARG  40           HD1      ARG  40  53.844  16.311  11.300
  311    HE   ARG  40           HE       ARG  40  56.302  17.679  10.406
  312   1HH1  ARG  40           HH21     ARG  40  56.363  16.232  12.933
  313   2HH1  ARG  40           HH22     ARG  40  56.092  17.466  14.119
  314   1HH2  ARG  40           HH12     ARG  40  54.837  19.756  11.839
  315   2HH2  ARG  40           HH11     ARG  40  55.230  19.459  13.500
  316    H    ILE  41           HN       ILE  41  56.360  12.095   8.177
  317    HA   ILE  41           HA       ILE  41  55.335   9.604   8.905
  318    HB   ILE  41           HB       ILE  41  57.694  10.005   8.087
  319   1HG1  ILE  41           HG12     ILE  41  58.561   8.098   9.352
  320   2HG1  ILE  41           HG11     ILE  41  57.322   8.336  10.581
  321   1HG2  ILE  41           HG22     ILE  41  57.964  11.736  10.113
  322   2HG2  ILE  41           HG21     ILE  41  58.534  10.283  10.934
  323   3HG2  ILE  41           HG23     ILE  41  59.339  10.841   9.467
  324   1HD1  ILE  41           HD11     ILE  41  56.548   7.996   7.688
  325   2HD1  ILE  41           HD13     ILE  41  56.849   6.588   8.706
  326   3HD1  ILE  41           HD12     ILE  41  55.570   7.726   9.130
  327    H    SER  42           HN       SER  42  53.904   9.552  10.527
  328    HA   SER  42           HA       SER  42  55.093   9.826  13.182
  329   1HB   SER  42           HB2      SER  42  53.567  11.340  14.039
  330   2HB   SER  42           HB1      SER  42  53.797  11.973  12.407
  331    HG   SER  42           HG       SER  42  51.674  11.772  12.423
  332    H    LEU  43           HN       LEU  43  54.719   7.487  12.068
  333    HA   LEU  43           HA       LEU  43  52.290   6.532  13.457
  334   1HB   LEU  43           HB2      LEU  43  53.496   5.576  10.854
  335   2HB   LEU  43           HB1      LEU  43  52.354   4.596  11.773
  336    HG   LEU  43           HG       LEU  43  51.337   7.279  11.551
  337   1HD1  LEU  43           HD13     LEU  43  52.797   7.324   9.514
  338   2HD1  LEU  43           HD12     LEU  43  51.929   5.913   8.909
  339   3HD1  LEU  43           HD11     LEU  43  51.077   7.440   9.137
  340   1HD2  LEU  43           HD23     LEU  43  50.222   4.934  11.862
  341   2HD2  LEU  43           HD22     LEU  43  49.381   6.151  10.903
  342   3HD2  LEU  43           HD21     LEU  43  50.277   4.861  10.100
  343    H    GLY  44           HN       GLY  44  55.584   6.635  13.511
  344   1HA   GLY  44           HA2      GLY  44  56.125   5.101  15.675
  345   2HA   GLY  44           HA1      GLY  44  55.996   3.855  14.435
  346    HA   PRO  45           HA       PRO  45  60.353   5.763  14.383
  347   1HB   PRO  45           HB2      PRO  45  61.634   3.801  15.753
  348   2HB   PRO  45           HB1      PRO  45  60.890   5.195  16.546
  349   1HG   PRO  45           HG2      PRO  45  59.980   2.385  16.463
  350   2HG   PRO  45           HG1      PRO  45  59.728   3.619  17.704
  351   1HD   PRO  45           HD2      PRO  45  57.858   2.792  15.794
  352   2HD   PRO  45           HD1      PRO  45  57.734   4.223  16.817
  353    H    ARG  46           HN       ARG  46  60.133   2.190  14.605
  354    HA   ARG  46           HA       ARG  46  61.887   1.522  12.566
  355   1HB   ARG  46           HB2      ARG  46  60.841  -0.595  12.455
  356   2HB   ARG  46           HB1      ARG  46  60.493  -0.033  14.086
  357   1HG   ARG  46           HG2      ARG  46  58.563   0.466  11.814
  358   2HG   ARG  46           HG1      ARG  46  58.532  -1.029  12.742
  359   1HD   ARG  46           HD2      ARG  46  58.433   1.695  14.048
  360   2HD   ARG  46           HD1      ARG  46  56.988   0.806  13.579
  361    HE   ARG  46           HE       ARG  46  58.712  -0.868  15.161
  362   1HH1  ARG  46           HH12     ARG  46  56.242   1.525  15.167
  363   2HH1  ARG  46           HH11     ARG  46  55.876   1.337  16.850
  364   1HH2  ARG  46           HH21     ARG  46  58.369  -1.010  17.400
  365   2HH2  ARG  46           HH22     ARG  46  57.081  -0.098  18.115
  366    H    CYS  47           HN       CYS  47  58.714   2.878  12.313
  367    HA   CYS  47           HA       CYS  47  58.053   2.344   9.603
  368   1HB   CYS  47           HB2      CYS  47  57.075   3.955  11.704
  369   2HB   CYS  47           HB1      CYS  47  57.398   5.057  10.356
  370    H    ILE  48           HN       ILE  48  59.584   5.258  10.940
  371    HA   ILE  48           HA       ILE  48  60.031   6.761   8.757
  372    HB   ILE  48           HB       ILE  48  61.791   6.153  11.101
  373   1HG1  ILE  48           HG12     ILE  48  61.323   8.507  11.597
  374   2HG1  ILE  48           HG11     ILE  48  60.530   8.700  10.035
  375   1HG2  ILE  48           HG21     ILE  48  62.523   7.797   8.678
  376   2HG2  ILE  48           HG23     ILE  48  63.265   8.053  10.257
  377   3HG2  ILE  48           HG22     ILE  48  63.457   6.505   9.433
  378   1HD1  ILE  48           HD11     ILE  48  58.878   6.939  10.729
  379   2HD1  ILE  48           HD13     ILE  48  59.617   6.944  12.328
  380   3HD1  ILE  48           HD12     ILE  48  58.818   8.392  11.720
  381    H    LYS  49           HN       LYS  49  62.581   4.393   9.640
  382    HA   LYS  49           HA       LYS  49  63.596   4.495   6.902
  383   1HB   LYS  49           HB2      LYS  49  64.788   4.017   9.296
  384   2HB   LYS  49           HB1      LYS  49  64.577   2.368   8.707
  385   1HG   LYS  49           HG2      LYS  49  65.512   4.136   6.594
  386   2HG   LYS  49           HG1      LYS  49  66.614   4.138   7.971
  387   1HD   LYS  49           HD2      LYS  49  66.207   1.509   7.848
  388   2HD   LYS  49           HD1      LYS  49  65.845   1.885   6.163
  389   1HE   LYS  49           HE2      LYS  49  68.116   1.643   5.945
  390   2HE   LYS  49           HE1      LYS  49  68.101   3.332   6.454
  391   1HZ   LYS  49           HZ3      LYS  49  68.178   2.368   8.805
  392   2HZ   LYS  49           HZ2      LYS  49  68.676   0.925   8.059
  393   3HZ   LYS  49           HZ1      LYS  49  69.604   2.337   7.888
  394    H    ALA  50           HN       ALA  50  61.259   2.568   8.525
  395    HA   ALA  50           HA       ALA  50  61.659   0.191   6.911
  396   1HB   ALA  50           HB2      ALA  50  59.310   1.157   8.574
  397   2HB   ALA  50           HB1      ALA  50  59.358  -0.405   7.758
  398   3HB   ALA  50           HB3      ALA  50  60.510  -0.045   9.043
  399    H    PHE  51           HN       PHE  51  58.960   2.474   7.070
  400    HA   PHE  51           HA       PHE  51  57.964   1.871   4.519
  401   1HB   PHE  51           HB2      PHE  51  56.448   3.553   4.886
  402   2HB   PHE  51           HB1      PHE  51  57.004   3.345   6.539
  403    HD1  PHE  51           HD2      PHE  51  57.629   5.358   3.427
  404    HD2  PHE  51           HD1      PHE  51  58.000   5.129   7.681
  405    HE1  PHE  51           HE2      PHE  51  58.409   7.716   3.510
  406    HE2  PHE  51           HE1      PHE  51  58.768   7.467   7.747
  407    HZ   PHE  51           HZ       PHE  51  58.973   8.762   5.675
  408    H    THR  52           HN       THR  52  60.156   4.471   5.596
  409    HA   THR  52           HA       THR  52  60.420   5.725   3.099
  410    HB   THR  52           HB       THR  52  62.490   5.380   5.283
  411    HG1  THR  52           HG1      THR  52  61.777   7.680   5.513
  412   1HG2  THR  52           HG23     THR  52  63.487   5.942   3.064
  413   2HG2  THR  52           HG22     THR  52  62.442   7.360   2.991
  414   3HG2  THR  52           HG21     THR  52  63.675   7.236   4.247
  415    H    GLU  53           HN       GLU  53  62.222   2.994   4.448
  416    HA   GLU  53           HA       GLU  53  64.053   2.612   2.322
  417   1HB   GLU  53           HB2      GLU  53  64.318   1.530   4.494
  418   2HB   GLU  53           HB1      GLU  53  62.845   0.609   4.208
  419   1HG   GLU  53           HG2      GLU  53  65.042  -0.607   3.717
  420   2HG   GLU  53           HG1      GLU  53  63.827  -0.634   2.441
  421    H    CYS  54           HN       CYS  54  61.081   0.731   2.968
  422    HA   CYS  54           HA       CYS  54  61.123  -0.677   0.513
  423   1HB   CYS  54           HB2      CYS  54  58.928  -0.013   2.458
  424   2HB   CYS  54           HB1      CYS  54  58.604  -0.929   0.983
  425    H    CYS  55           HN       CYS  55  59.985   2.539   1.273
  426    HA   CYS  55           HA       CYS  55  58.500   2.758  -1.238
  427   1HB   CYS  55           HB2      CYS  55  57.610   4.639  -0.323
  428   2HB   CYS  55           HB1      CYS  55  58.370   4.099   1.167
  429    H    VAL  56           HN       VAL  56  61.728   3.359  -0.089
  430    HA   VAL  56           HA       VAL  56  62.482   5.038  -2.356
  431    HB   VAL  56           HB       VAL  56  64.197   3.502  -0.371
  432   1HG1  VAL  56           HG12     VAL  56  64.791   5.424  -2.592
  433   2HG1  VAL  56           HG11     VAL  56  65.816   5.428  -1.156
  434   3HG1  VAL  56           HG13     VAL  56  65.654   3.960  -2.120
  435   1HG2  VAL  56           HG23     VAL  56  62.530   5.657   0.121
  436   2HG2  VAL  56           HG22     VAL  56  63.939   5.217   1.085
  437   3HG2  VAL  56           HG21     VAL  56  64.086   6.430  -0.187
  438    H    VAL  57           HN       VAL  57  63.001   1.658  -1.400
  439    HA   VAL  57           HA       VAL  57  64.426   0.902  -3.761
  440    HB   VAL  57           HB       VAL  57  63.870  -1.393  -3.070
  441   1HG1  VAL  57           HG11     VAL  57  65.179   0.562  -1.472
  442   2HG1  VAL  57           HG13     VAL  57  64.278  -0.482  -0.373
  443   3HG1  VAL  57           HG12     VAL  57  65.460  -1.180  -1.482
  444   1HG2  VAL  57           HG21     VAL  57  61.993   0.002  -1.139
  445   2HG2  VAL  57           HG23     VAL  57  61.534  -1.074  -2.458
  446   3HG2  VAL  57           HG22     VAL  57  62.399  -1.713  -1.062
  447    H    ALA  58           HN       ALA  58  61.065   0.873  -2.707
  448    HA   ALA  58           HA       ALA  58  59.976  -0.185  -5.144
  449   1HB   ALA  58           HB1      ALA  58  58.728  -0.043  -2.968
  450   2HB   ALA  58           HB3      ALA  58  58.701   1.711  -3.146
  451   3HB   ALA  58           HB2      ALA  58  57.847   0.693  -4.306
  452    H    SER  59           HN       SER  59  61.156   2.845  -4.038
  453    HA   SER  59           HA       SER  59  59.920   4.641  -5.858
  454   1HB   SER  59           HB2      SER  59  61.707   4.789  -3.802
  455   2HB   SER  59           HB1      SER  59  62.679   5.275  -5.183
  456    HG   SER  59           HG       SER  59  60.619   6.582  -5.640
  457    H    GLN  60           HN       GLN  60  63.062   3.001  -5.982
  458    HA   GLN  60           HA       GLN  60  63.673   3.912  -8.669
  459   1HB   GLN  60           HB2      GLN  60  64.992   2.536  -6.522
  460   2HB   GLN  60           HB1      GLN  60  65.188   1.618  -8.016
  461   1HG   GLN  60           HG2      GLN  60  66.261   3.396  -9.112
  462   2HG   GLN  60           HG1      GLN  60  65.578   4.598  -8.014
  463   1HE2  GLN  60           HE22     GLN  60  68.018   3.962  -5.430
  464   2HE2  GLN  60           HE21     GLN  60  66.401   4.424  -5.659
  465    H    LEU  61           HN       LEU  61  62.082   1.173  -7.254
  466    HA   LEU  61           HA       LEU  61  62.289  -0.567  -9.552
  467   1HB   LEU  61           HB2      LEU  61  60.547  -0.480  -7.091
  468   2HB   LEU  61           HB1      LEU  61  60.328  -1.714  -8.323
  469    HG   LEU  61           HG       LEU  61  62.744  -1.205  -6.621
  470   1HD1  LEU  61           HD13     LEU  61  60.877  -2.633  -5.739
  471   2HD1  LEU  61           HD12     LEU  61  61.131  -3.720  -7.106
  472   3HD1  LEU  61           HD11     LEU  61  62.405  -3.497  -5.908
  473   1HD2  LEU  61           HD22     LEU  61  62.464  -2.669  -9.225
  474   2HD2  LEU  61           HD21     LEU  61  63.786  -1.647  -8.666
  475   3HD2  LEU  61           HD23     LEU  61  63.593  -3.273  -8.013
  476    H    ARG  62           HN       ARG  62  60.119   1.947  -8.436
  477    HA   ARG  62           HA       ARG  62  58.318   1.445 -10.727
  478   1HB   ARG  62           HB2      ARG  62  56.741   2.896  -9.660
  479   2HB   ARG  62           HB1      ARG  62  57.412   1.871  -8.390
  480   1HG   ARG  62           HG2      ARG  62  58.880   3.616  -7.645
  481   2HG   ARG  62           HG1      ARG  62  58.507   4.615  -9.046
  482   1HD   ARG  62           HD2      ARG  62  57.264   5.430  -7.100
  483   2HD   ARG  62           HD1      ARG  62  56.144   4.760  -8.286
  484    HE   ARG  62           HE       ARG  62  56.846   3.520  -5.682
  485   1HH1  ARG  62           HH12     ARG  62  54.306   4.267  -7.630
  486   2HH1  ARG  62           HH11     ARG  62  53.571   2.698  -7.628
  487   1HH2  ARG  62           HH21     ARG  62  56.283   1.138  -6.132
  488   2HH2  ARG  62           HH22     ARG  62  54.691   0.925  -6.780
  489    H    ALA  63           HN       ALA  63  60.961   3.495  -9.859
  490    HA   ALA  63           HA       ALA  63  60.137   5.526 -11.870
  491   1HB   ALA  63           HB2      ALA  63  62.135   5.469  -9.628
  492   2HB   ALA  63           HB1      ALA  63  62.367   6.595 -10.966
  493   3HB   ALA  63           HB3      ALA  63  60.902   6.677  -9.987
  494    H    ASN  64           HN       ASN  64  60.604   3.368 -13.272
  495    HA   ASN  64           HA       ASN  64  62.862   3.955 -14.902
  496   1HB   ASN  64           HB2      ASN  64  63.876   2.937 -12.695
  497   2HB   ASN  64           HB1      ASN  64  63.349   1.405 -13.392
  498   1HD2  ASN  64           HD22     ASN  64  66.838   2.261 -14.586
  499   2HD2  ASN  64           HD21     ASN  64  66.147   2.162 -13.039
  500    H    ILE  65           HN       ILE  65  60.764   1.343 -13.692
  501    HA   ILE  65           HA       ILE  65  60.625   0.282 -16.477
  502    HB   ILE  65           HB       ILE  65  59.299  -1.232 -14.307
  503   1HG1  ILE  65           HG12     ILE  65  61.270  -0.423 -13.083
  504   2HG1  ILE  65           HG11     ILE  65  61.462  -2.135 -13.466
  505   1HG2  ILE  65           HG22     ILE  65  60.359  -1.652 -16.902
  506   2HG2  ILE  65           HG21     ILE  65  61.317  -2.636 -15.796
  507   3HG2  ILE  65           HG23     ILE  65  59.565  -2.832 -15.860
  508   1HD1  ILE  65           HD13     ILE  65  62.504  -0.080 -15.388
  509   2HD1  ILE  65           HD12     ILE  65  63.438  -0.458 -13.941
  510   3HD1  ILE  65           HD11     ILE  65  63.065  -1.728 -15.105
  511    H    SER  66           HN       SER  66  58.148  -1.041 -16.219
  512    HA   SER  66           HA       SER  66  56.010   0.569 -15.256
  513   1HB   SER  66           HB2      SER  66  56.666   2.266 -16.836
  514   2HB   SER  66           HB1      SER  66  56.843   1.078 -18.124
  515    HG   SER  66           HG       SER  66  54.722   2.462 -17.581
  516    H    HIS  67           HN       HIS  67  56.803  -2.212 -15.613
  517    HA   HIS  67           HA       HIS  67  54.319  -3.184 -16.896
  518   1HB   HIS  67           HB2      HIS  67  56.711  -3.234 -18.289
  519   2HB   HIS  67           HB1      HIS  67  56.638  -4.845 -17.580
  520    HD1  HIS  67           HD1      HIS  67  54.681  -2.522 -19.836
  521    HD2  HIS  67           HD2      HIS  67  54.683  -6.532 -18.694
  522    HE1  HIS  67           HE1      HIS  67  53.036  -3.702 -21.359
  523    H    LYS  68           HN       LYS  68  55.441  -5.968 -16.743
  524    HA   LYS  68           HA       LYS  68  54.503  -6.803 -14.280
  525   1HB   LYS  68           HB2      LYS  68  55.590  -8.132 -16.312
  526   2HB   LYS  68           HB1      LYS  68  57.016  -8.095 -15.274
  527   1HG   LYS  68           HG2      LYS  68  56.042  -9.421 -13.651
  528   2HG   LYS  68           HG1      LYS  68  54.409  -8.877 -14.038
  529   1HD   LYS  68           HD2      LYS  68  54.110 -10.495 -15.603
  530   2HD   LYS  68           HD1      LYS  68  55.749 -10.318 -16.231
  531   1HE   LYS  68           HE2      LYS  68  55.340 -12.545 -15.153
  532   2HE   LYS  68           HE1      LYS  68  56.651 -11.635 -14.399
  533   1HZ   LYS  68           HZ3      LYS  68  54.266 -10.882 -13.165
  534   2HZ   LYS  68           HZ2      LYS  68  54.284 -12.580 -13.226
  535   3HZ   LYS  68           HZ1      LYS  68  55.564 -11.740 -12.491
  536    H    ASP  69           HN       ASP  69  57.859  -5.840 -14.973
  537    HA   ASP  69           HA       ASP  69  58.929  -6.190 -12.411
  538   1HB   ASP  69           HB2      ASP  69  59.599  -4.384 -14.723
  539   2HB   ASP  69           HB1      ASP  69  60.449  -4.199 -13.188
  540    H    MET  70           HN       MET  70  57.876  -3.083 -13.860
  541    HA   MET  70           HA       MET  70  57.740  -1.795 -11.263
  542   1HB   MET  70           HB2      MET  70  58.198  -0.373 -13.114
  543   2HB   MET  70           HB1      MET  70  56.831  -1.002 -14.033
  544   1HG   MET  70           HG2      MET  70  55.287   0.241 -12.844
  545   2HG   MET  70           HG1      MET  70  56.274   0.263 -11.382
  546   1HE   MET  70           HE3      MET  70  54.841   2.380 -11.840
  547   2HE   MET  70           HE2      MET  70  55.757   3.870 -12.057
  548   3HE   MET  70           HE1      MET  70  54.918   3.152 -13.431
  549    H    GLN  71           HN       GLN  71  55.088  -2.189 -13.637
  550    HA   GLN  71           HA       GLN  71  52.882  -1.730 -12.117
  551   1HB   GLN  71           HB2      GLN  71  52.771  -2.544 -14.448
  552   2HB   GLN  71           HB1      GLN  71  53.200  -4.165 -13.897
  553   1HG   GLN  71           HG2      GLN  71  51.093  -4.594 -13.201
  554   2HG   GLN  71           HG1      GLN  71  50.963  -3.031 -12.394
  555   1HE2  GLN  71           HE22     GLN  71  48.538  -3.040 -15.238
  556   2HE2  GLN  71           HE21     GLN  71  48.736  -3.963 -13.827
  557    H    LEU  72           HN       LEU  72  54.865  -4.676 -11.905
  558    HA   LEU  72           HA       LEU  72  53.254  -5.492  -9.516
  559   1HB   LEU  72           HB2      LEU  72  54.415  -6.948 -11.739
  560   2HB   LEU  72           HB1      LEU  72  55.036  -7.562 -10.207
  561    HG   LEU  72           HG       LEU  72  52.698  -7.750  -9.390
  562   1HD1  LEU  72           HD12     LEU  72  51.866  -5.921 -10.902
  563   2HD1  LEU  72           HD11     LEU  72  51.979  -7.057 -12.247
  564   3HD1  LEU  72           HD13     LEU  72  50.861  -7.370 -10.918
  565   1HD2  LEU  72           HD21     LEU  72  53.880  -9.250 -11.611
  566   2HD2  LEU  72           HD23     LEU  72  53.056  -9.850 -10.172
  567   3HD2  LEU  72           HD22     LEU  72  52.120  -9.362 -11.585
  568    H    GLY  73           HN       GLY  73  56.576  -6.191 -10.488
  569   1HA   GLY  73           HA2      GLY  73  57.862  -6.340  -8.107
  570   2HA   GLY  73           HA1      GLY  73  58.615  -5.572  -9.504
  571    H    ARG  74           HN       ARG  74  57.079  -3.292  -9.785
  572    HA   ARG  74           HA       ARG  74  57.501  -1.055  -8.996
  573   1HB   ARG  74           HB2      ARG  74  55.747  -0.545  -7.308
  574   2HB   ARG  74           HB1      ARG  74  55.137  -1.529  -8.636
  575   1HG   ARG  74           HG2      ARG  74  54.427  -3.037  -7.127
  576   2HG   ARG  74           HG1      ARG  74  56.107  -3.349  -6.700
  577   1HD   ARG  74           HD2      ARG  74  56.051  -1.944  -4.859
  578   2HD   ARG  74           HD1      ARG  74  54.772  -0.937  -5.539
  579    HE   ARG  74           HE       ARG  74  53.322  -3.099  -5.129
  580   1HH1  ARG  74           HH12     ARG  74  55.901  -4.056  -3.596
  581   2HH1  ARG  74           HH11     ARG  74  55.363  -3.822  -1.966
  582   1HH2  ARG  74           HH21     ARG  74  52.634  -1.885  -2.868
  583   2HH2  ARG  74           HH22     ARG  74  53.512  -2.593  -1.554
   
  No H/Q in entry =         583