*HEADER    TRANSFERASE                             05-NOV-99   1DCZ              
*TITLE     BIOTIN CARBOXYL CARRIER DOMAIN OF TRANSCARBOXYLASE (TC 1.3S)          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSCARBOXYLASE 1.3S SUBUNIT;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 EC: 2.1.3.1;                                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM FREUDENREICHII                
*SOURCE   3 SHERMANII;                                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: HB101;                                     
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET20B                                     
*KEYWDS    ANTIPARALLEL BETA SHEET, HAMMERHEAD, BIOCYTIN                         
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    D.V.REDDY, B.C.SHENOY, P.R.CAREY, F.D.SONNICHSEN                      
*REVDAT   1   10-MAY-00 1DCZ    0                                                




assign (resid  59 and name  HB*) (resid 113 and name HG1*)  3.80  2.20  2.20
assign (resid  96 and name  HB*) (resid 122 and name HG2*)  3.80  2.20  2.20
assign (resid  96 and name  HB*) (resid  76 and name HG1*)  3.80  2.20  2.20
assign (resid  96 and name  HB*) (resid  82 and name HG2*)  3.80  2.20  2.20
assign (resid 120 and name HD1*) (resid  82 and name HG2*)  3.80  2.20  2.20
assign (resid 122 and name HD1*) (resid 120 and name HG2*)  3.80  2.20  2.20
assign (resid 122 and name HD1*) (resid  57 and name HD1*)  3.80  2.20  2.20
assign (resid 122 and name HD1*) (resid 102 and name HG2*)  3.80  2.20  2.20
assign (resid 122 and name HD1*) (resid  76 and name HG2*)  3.80  2.20  2.20
assign (resid  68 and name HG2*) (resid 120 and name HD1*)  3.80  2.20  2.20
assign (resid  68 and name HG2*) (resid 105 and name  HG*)  3.80  2.20  2.20
assign (resid  94 and name HD1*) (resid  83 and name  HD*)  3.80  2.20  2.20
assign (resid  94 and name HD1*) (resid  85 and name  HB*)  3.80  2.20  2.20
assign (resid  94 and name HD1*) (resid  85 and name  HD*)  3.80  2.20  2.20
assign (resid  94 and name HG2*) (resid  57 and name HG2*)  3.80  2.20  2.20
assign (resid  94 and name HG2*) (resid 119 and name  HD*)  3.80  2.20  2.20
assign (resid 119 and name  HD*) (resid  57 and name HG2*)  3.80  2.20  2.20
assign (resid 119 and name  HD*) (resid 113 and name HG2*)  3.80  2.20  2.20
assign (resid  83 and name  HD*) (resid 120 and name HD1*)  3.80  2.20  2.20
assign (resid  83 and name  HD*) (resid  68 and name HD1*)  3.80  2.20  2.20
assign (resid  83 and name  HD*) (resid 107 and name HG2*)  3.80  2.20  2.20
assign (resid  83 and name  HD*) (resid  65 and name HG2*)  3.80  2.20  2.20
assign (resid  85 and name  HD*) (resid  83 and name  HD*)  3.80  2.20  2.20
assign (resid  85 and name  HD*) (resid  65 and name HG2*)  3.80  2.20  2.20
assign (resid 102 and name HG2*) (resid 120 and name HD1*)  3.80  2.20  2.20
assign (resid 102 and name HG2*) (resid 120 and name HG2*)  3.80  2.20  2.20
assign (resid 102 and name HG1*) (resid 120 and name HD1*)  3.80  2.20  2.20
assign (resid 102 and name HG1*) (resid 120 and name HG2*)  3.80  2.20  2.20
assign (resid 105 and name  HG*) (resid  68 and name HD1*)  3.80  2.20  2.20
assign (resid 107 and name HG1*) (resid  65 and name HG1*)  3.80  2.20  2.20
assign (resid 107 and name HG2*) (resid  68 and name HD1*)  3.80  2.20  2.20
assign (resid 113 and name HG2*) (resid  85 and name  HD*)  3.80  2.20  2.20
assign (resid  65 and name HG1*) (resid  68 and name HD1*)  3.80  2.20  2.20
assign (resid  70 and name HG2*) (resid 120 and name HD1*)  3.80  2.20  2.20
assign (resid  70 and name HG2*) (resid 102 and name HG2*)  3.80  2.20  2.20
assign (resid  70 and name HG2*) (resid 102 and name HG1*)  3.80  2.20  2.20
assign (resid  76 and name HG1*) (resid  82 and name HG1*)  3.80  2.20  2.20
assign (resid  76 and name HG2*) (resid 122 and name HG2*)  3.80  2.20  2.20
assign (resid  82 and name HG1*) (resid  76 and name HG2*)  3.80  2.20  2.20
assign (resid  47 and name   HN) (resid  47 and name   HA)  2.80  1.10  1.10
assign (resid  47 and name   HN) (resid  47 and name  HB*)  4.35  2.65  2.65
assign (resid  48 and name   HN) (resid  47 and name  HB*)  4.35  2.65  2.65
assign (resid  49 and name   HN) (resid  50 and name   HN)  3.50  1.80  1.79
assign (resid  49 and name   HN) (resid  48 and name  HA*)  2.58  0.88  0.88
assign (resid  49 and name   HN) (resid  49 and name   HA)  2.77  1.07  1.06
assign (resid  49 and name   HN) (resid  49 and name  HB*)  3.05  1.35  1.35
assign (resid  50 and name   HN) (resid  50 and name  HA*)  3.35  1.65  1.65
assign (resid  50 and name   HN) (resid  49 and name  HB*)  4.35  2.65  2.65
assign (resid  50 and name   HN) (resid  51 and name   HN)  3.49  1.79  1.79
assign (resid  50 and name   HN) (resid  49 and name   HA)  3.10  1.40  1.40
assign (resid  51 and name   HN) (resid  52 and name   HN)  3.19  1.49  1.49
assign (resid  51 and name   HN) (resid  51 and name  HG*)  3.24  1.54  1.54
assign (resid  51 and name   HN) (resid  51 and name   HA)  2.76  1.06  1.06
assign (resid  51 and name   HN) (resid  50 and name  HA*)  2.89  1.19  1.19
assign (resid  51 and name   HN) (resid  51 and name  HB*)  2.82  1.12  1.12
assign (resid  51 and name   HN) (resid 117 and name   HA)  3.40  1.70  1.70
assign (resid  52 and name   HN) (resid  52 and name   HA)  2.75  1.05  1.06
assign (resid  52 and name   HN) (resid 118 and name  HA*)  4.35  2.65  2.65
assign (resid  52 and name   HN) (resid  51 and name   HA)  2.24  0.54  0.54
assign (resid  52 and name   HN) (resid  51 and name  HB*)  3.44  1.74  1.74
assign (resid  52 and name   HN) (resid 118 and name   HN)  3.89  2.19  2.19
assign (resid  52 and name   HN) (resid  52 and name  HB*)  3.02  1.32  1.31
assign (resid  52 and name   HN) (resid  58 and name  HB2)  3.42  1.72  1.72
assign (resid  52 and name   HN) (resid 117 and name   HA)  3.10  1.41  1.40
assign (resid  52 and name   HN) (resid  58 and name  HG*)  4.35  2.65  2.65
assign (resid  53 and name   HN) (resid 118 and name   HN)  4.35  2.65  2.65
assign (resid  53 and name   HN) (resid  52 and name  HB*)  3.75  2.05  2.05
assign (resid  53 and name   HN) (resid  56 and name  HB1)  3.54  1.84  1.84
assign (resid  53 and name   HN) (resid  56 and name   HN)  3.94  2.24  2.23
assign (resid  53 and name   HN) (resid  53 and name  HA*)  2.54  0.84  0.83
assign (resid  53 and name   HN) (resid  52 and name   HN)  3.79  2.08  2.08
assign (resid  53 and name   HN) (resid  56 and name  HG*)  3.63  1.93  1.93
assign (resid  53 and name   HN) (resid  56 and name  HB2)  3.29  1.59  1.59
assign (resid  53 and name   HN) (resid  56 and name   HA)  4.35  2.65  2.65
assign (resid  54 and name   HN) (resid  52 and name  HB*)  4.35  2.65  2.65
assign (resid  54 and name   HN) (resid  53 and name  HA*)  2.39  0.69  0.69
assign (resid  54 and name   HN) (resid  54 and name  HG*)  3.25  1.55  1.55
assign (resid  54 and name   HN) (resid  54 and name   HA)  2.58  0.89  0.89
assign (resid  54 and name   HN) (resid  54 and name  HB*)  2.48  0.78  0.78
assign (resid  54 and name   HN) (resid  55 and name   HN)  3.33  1.64  1.63
assign (resid  54 and name   HN) (resid  56 and name  HB2)  3.56  1.86  1.86
assign (resid  54 and name   HN) (resid  56 and name   HN)  4.04  2.34  2.34
assign (resid  55 and name   HN) (resid 121 and name  HG*)  4.35  2.65  2.65
assign (resid  55 and name   HN) (resid  56 and name  HB2)  3.65  1.95  1.94
assign (resid  55 and name   HN) (resid  54 and name  HB*)  3.11  1.41  1.41
assign (resid  55 and name   HN) (resid  54 and name   HA)  2.48  0.78  0.77
assign (resid  55 and name   HN) (resid  55 and name  HA*)  2.49  0.79  0.79
assign (resid  55 and name   HN) (resid  54 and name  HG*)  3.58  1.89  1.88
assign (resid  55 and name   HN) (resid  56 and name   HN)  2.64  0.94  0.94
assign (resid  55 and name   HN) (resid  56 and name   HA)  4.35  2.65  2.65
assign (resid  56 and name   HN) (resid 121 and name  HE*)  4.35  2.65  2.65
assign (resid  56 and name   HN) (resid  56 and name   HA)  2.75  1.05  1.06
assign (resid  56 and name   HN) (resid  55 and name  HA*)  2.69  0.99  0.99
assign (resid  56 and name   HN) (resid  56 and name  HG*)  2.45  0.75  0.75
assign (resid  56 and name   HN) (resid  57 and name   HN)  3.31  1.61  1.61
assign (resid  56 and name   HN) (resid  56 and name  HB2)  2.40  0.70  0.69
assign (resid  56 and name   HN) (resid  54 and name   HA)  3.17  1.47  1.47
assign (resid  56 and name   HN) (resid 121 and name  HG*)  2.97  1.27  1.27
assign (resid  56 and name   HN) (resid  56 and name  HB1)  2.75  1.05  1.04
assign (resid  56 and name   HN) (resid 121 and name  HB*)  4.35  2.65  2.65
assign (resid  56 and name   HN) (resid 121 and name   HA)  3.23  1.53  1.53
assign (resid  56 and name   HN) (resid  54 and name  HG*)  4.35  2.65  2.65
assign (resid  57 and name   HN) (resid 106 and name  HD*)  4.35  2.65  2.65
assign (resid  57 and name   HN) (resid  57 and name HG1*)  2.36  0.66  0.67
assign (resid  57 and name   HN) (resid  57 and name   HA)  2.76  1.06  1.06
assign (resid  57 and name   HN) (resid  56 and name   HA)  2.19  0.49  0.50
assign (resid  57 and name   HN) (resid  57 and name   HB)  2.45  0.75  0.75
assign (resid  57 and name   HN) (resid 120 and name   HN)  2.79  1.09  1.09
assign (resid  57 and name   HN) (resid  56 and name  HB1)  2.84  1.14  1.14
assign (resid  57 and name   HN) (resid 121 and name   HA)  2.74  1.04  1.04
assign (resid  57 and name   HN) (resid 118 and name  HA*)  4.35  2.65  2.65
assign (resid  59 and name   HN) (resid 119 and name   HN)  3.04  1.34  1.34
assign (resid  59 and name   HN) (resid 118 and name   HN)  3.68  1.98  1.98
assign (resid  59 and name   HN) (resid 117 and name   HA)  3.56  1.86  1.85
assign (resid  59 and name   HN) (resid  60 and name  HD1)  3.45  1.75  1.75
assign (resid  59 and name   HN) (resid 116 and name   HN)  3.41  1.71  1.71
assign (resid  59 and name   HN) (resid  52 and name  HB*)  3.94  2.24  2.24
assign (resid  59 and name   HN) (resid 119 and name   HG)  2.77  1.07  1.07
assign (resid  59 and name   HN) (resid 119 and name  HD*)  3.64  1.94  1.94
assign (resid  59 and name   HN) (resid 116 and name  HA*)  3.19  1.49  1.48
assign (resid  59 and name   HN) (resid  58 and name  HB2)  2.83  1.13  1.13
assign (resid  59 and name   HN) (resid 117 and name   HN)  3.16  1.46  1.46
assign (resid  59 and name   HN) (resid 118 and name  HA*)  3.24  1.54  1.54
assign (resid  59 and name   HN) (resid  59 and name   HA)  2.76  1.06  1.06
assign (resid  59 and name   HN) (resid  59 and name  HB*)  2.94  1.24  1.24
assign (resid  59 and name   HN) (resid  58 and name   HA)  2.27  0.57  0.56
assign (resid  61 and name   HN) (resid 115 and name   HN)  4.35  2.65  2.65
assign (resid  61 and name   HN) (resid  62 and name   HN)  3.47  1.77  1.77
assign (resid  61 and name   HN) (resid 116 and name   HN)  3.80  2.10  2.10
assign (resid  61 and name   HN) (resid  59 and name   HA)  3.03  1.33  1.33
assign (resid  61 and name   HN) (resid 115 and name  HA*)  3.44  1.74  1.74
assign (resid  61 and name   HN) (resid  60 and name  HD1)  3.52  1.82  1.81
assign (resid  61 and name   HN) (resid  61 and name   HA)  2.58  0.89  0.89
assign (resid  61 and name   HN) (resid  61 and name  HB2)  3.12  1.43  1.42
assign (resid  61 and name   HN) (resid  60 and name  HD2)  2.79  1.09  1.09
assign (resid  61 and name   HN) (resid  60 and name  HG1)  3.27  1.57  1.56
assign (resid  61 and name   HN) (resid  60 and name   HA)  3.17  1.47  1.46
assign (resid  61 and name   HN) (resid  60 and name  HB2)  3.58  1.89  1.88
assign (resid  61 and name   HN) (resid  60 and name  HB1)  3.48  1.78  1.78
assign (resid  61 and name   HN) (resid  59 and name   HN)  4.18  2.48  2.49
assign (resid  61 and name   HN) (resid 117 and name   HN)  4.15  2.45  2.45
assign (resid  62 and name   HN) (resid 114 and name   HA)  3.53  1.83  1.83
assign (resid  62 and name   HN) (resid 115 and name  HA*)  3.56  1.86  1.86
assign (resid  62 and name   HN) (resid  63 and name  HA*)  3.89  2.19  2.19
assign (resid  62 and name   HN) (resid  62 and name   HA)  2.58  0.89  0.89
assign (resid  62 and name   HN) (resid  61 and name  HD*)  4.12  2.42  2.42
assign (resid  62 and name   HN) (resid  61 and name   HA)  2.40  0.70  0.69
assign (resid  62 and name   HN) (resid  63 and name   HN)  3.37  1.67  1.67
assign (resid  62 and name   HN) (resid 115 and name   HN)  3.41  1.71  1.71
assign (resid  63 and name   HN) (resid 112 and name  HB*)  4.35  2.65  2.65
assign (resid  63 and name   HN) (resid 113 and name HG1*)  3.76  2.06  2.06
assign (resid  63 and name   HN) (resid  61 and name  HD*)  4.35  2.65  2.65
assign (resid  63 and name   HN) (resid  62 and name   HA)  2.12  0.42  0.42
assign (resid  63 and name   HN) (resid 113 and name HG2*)  2.77  1.07  1.07
assign (resid  63 and name   HN) (resid  62 and name  HB*)  3.42  1.72  1.72
assign (resid  63 and name   HN) (resid  63 and name  HA*)  2.62  0.92  0.92
assign (resid  63 and name   HN) (resid 113 and name   HB)  3.25  1.55  1.55
assign (resid  63 and name   HN) (resid 114 and name   HA)  3.37  1.67  1.67
assign (resid  63 and name   HN) (resid 115 and name   HN)  3.66  1.96  1.96
assign (resid  64 and name   HN) (resid  63 and name  HA*)  2.27  0.57  0.56
assign (resid  64 and name   HN) (resid  64 and name   HB)  2.35  0.66  0.65
assign (resid  64 and name   HN) (resid  87 and name   HA)  3.18  1.48  1.48
assign (resid  64 and name   HN) (resid  86 and name  HB*)  3.10  1.41  1.40
assign (resid  64 and name   HN) (resid  85 and name   HA)  3.06  1.36  1.36
assign (resid  64 and name   HN) (resid  86 and name   HA)  3.06  1.36  1.36
assign (resid  64 and name   HN) (resid  86 and name   HN)  2.71  1.01  1.02
assign (resid  64 and name   HN) (resid  85 and name  HB*)  3.47  1.77  1.77
assign (resid  64 and name   HN) (resid  64 and name HG2*)  3.60  1.90  1.90
assign (resid  64 and name   HN) (resid  63 and name   HN)  3.23  1.53  1.53
assign (resid  64 and name   HN) (resid  64 and name   HA)  2.76  1.06  1.06
assign (resid  64 and name   HN) (resid  85 and name  HD*)  3.60  1.90  1.90
assign (resid  64 and name   HN) (resid 112 and name   HA)  3.39  1.69  1.69
assign (resid  65 and name   HN) (resid 111 and name   HN)  3.83  2.12  2.12
assign (resid  65 and name   HN) (resid 110 and name   HA)  4.35  2.65  2.65
assign (resid  65 and name   HN) (resid 112 and name   HA)  3.81  2.12  2.11
assign (resid  65 and name   HN) (resid  64 and name   HA)  2.90  1.20  1.19
assign (resid  65 and name   HN) (resid 113 and name HG2*)  4.35  2.65  2.65
assign (resid  65 and name   HN) (resid  64 and name HG2*)  4.17  2.46  2.46
assign (resid  65 and name   HN) (resid  85 and name   HA)  4.35  2.65  2.65
assign (resid  65 and name   HN) (resid 109 and name   HA)  4.35  2.65  2.65
assign (resid  65 and name   HN) (resid  65 and name HG2*)  3.93  2.23  2.23
assign (resid  65 and name   HN) (resid 111 and name   HA)  4.35  2.65  2.65
assign (resid  65 and name   HN) (resid 110 and name   HN)  4.10  2.40  2.40
assign (resid  65 and name   HN) (resid  65 and name   HB)  3.38  1.68  1.68
assign (resid  65 and name   HN) (resid  65 and name HG1*)  4.35  2.65  2.65
assign (resid  66 and name   HN) (resid 110 and name   HN)  4.35  2.65  2.65
assign (resid  66 and name   HN) (resid  85 and name  HB*)  4.35  2.65  2.65
assign (resid  66 and name   HN) (resid  67 and name   HN)  2.41  0.71  0.71
assign (resid  66 and name   HN) (resid  66 and name  HB*)  2.77  1.07  1.08
assign (resid  66 and name   HN) (resid  86 and name   HN)  3.04  1.34  1.33
assign (resid  66 and name   HN) (resid  65 and name HG1*)  3.32  1.62  1.62
assign (resid  66 and name   HN) (resid  65 and name   HA)  2.25  0.55  0.55
assign (resid  66 and name   HN) (resid  85 and name  HD*)  3.55  1.85  1.85
assign (resid  66 and name   HN) (resid  85 and name   HG)  4.35  2.65  2.65
assign (resid  66 and name   HN) (resid  85 and name   HA)  2.60  0.90  0.90
assign (resid  66 and name   HN) (resid  84 and name   HB)  3.35  1.65  1.65
assign (resid  66 and name   HN) (resid  83 and name HD2*)  3.54  1.84  1.83
assign (resid  66 and name   HN) (resid  66 and name   HA)  2.76  1.06  1.06
assign (resid  66 and name   HN) (resid  83 and name   HG)  4.35  2.65  2.65
assign (resid  66 and name   HN) (resid  65 and name HG2*)  3.72  2.02  2.02
assign (resid  66 and name   HN) (resid  65 and name   HB)  3.48  1.78  1.78
assign (resid  67 and name   HN) (resid 109 and name  HG*)  3.66  1.96  1.96
assign (resid  67 and name   HN) (resid  68 and name   HN)  3.22  1.52  1.52
assign (resid  67 and name   HN) (resid  68 and name   HA)  4.35  2.65  2.65
assign (resid  67 and name   HN) (resid  85 and name   HA)  3.31  1.61  1.60
assign (resid  67 and name   HN) (resid  66 and name  HB*)  2.87  1.17  1.17
assign (resid  67 and name   HN) (resid  84 and name   HB)  2.69  0.99  0.98
assign (resid  67 and name   HN) (resid  65 and name HG1*)  3.64  1.94  1.94
assign (resid  67 and name   HN) (resid  66 and name   HA)  3.08  1.39  1.38
assign (resid  67 and name   HN) (resid  68 and name HG1*)  3.64  1.94  1.94
assign (resid  67 and name   HN) (resid  67 and name  HG*)  3.35  1.66  1.65
assign (resid  67 and name   HN) (resid  65 and name   HA)  3.44  1.74  1.73
assign (resid  67 and name   HN) (resid  67 and name   HA)  2.76  1.06  1.06
assign (resid  67 and name   HN) (resid  84 and name  HG*)  3.62  1.92  1.92
assign (resid  67 and name   HN) (resid  83 and name   HA)  3.37  1.67  1.67
assign (resid  67 and name   HN) (resid  84 and name   HN)  2.75  1.05  1.04
assign (resid  67 and name   HN) (resid  67 and name  HB*)  2.90  1.20  1.19
assign (resid  67 and name   HN) (resid  65 and name HG2*)  4.35  2.65  2.65
assign (resid  68 and name   HN) (resid  68 and name   HA)  2.77  1.07  1.06
assign (resid  68 and name   HN) (resid  67 and name  HB*)  3.35  1.65  1.65
assign (resid  68 and name   HN) (resid  68 and name HG1*)  2.73  1.03  1.03
assign (resid  68 and name   HN) (resid  67 and name  HG*)  3.44  1.74  1.73
assign (resid  68 and name   HN) (resid  67 and name   HA)  2.07  0.37  0.37
assign (resid  68 and name   HN) (resid 109 and name  HG*)  3.35  1.66  1.65
assign (resid  68 and name   HN) (resid  68 and name HG2*)  3.52  1.82  1.82
assign (resid  68 and name   HN) (resid  69 and name   HN)  3.45  1.75  1.75
assign (resid  69 and name   HN) (resid  82 and name   HB)  3.63  1.93  1.93
assign (resid  69 and name   HN) (resid  84 and name   HN)  3.42  1.72  1.72
assign (resid  69 and name   HN) (resid  70 and name HG1*)  4.35  2.65  2.65
assign (resid  69 and name   HN) (resid  69 and name   HA)  2.76  1.06  1.06
assign (resid  69 and name   HN) (resid  83 and name   HA)  2.73  1.03  1.03
assign (resid  69 and name   HN) (resid  68 and name HG2*)  3.06  1.36  1.36
assign (resid  69 and name   HN) (resid  70 and name   HN)  2.47  0.77  0.77
assign (resid  69 and name   HN) (resid  68 and name   HA)  2.36  0.66  0.67
assign (resid  69 and name   HN) (resid  81 and name HG2*)  4.35  2.65  2.65
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assign (resid  69 and name  HD*) (resid  81 and name   HB)  3.85  2.15  2.15
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assign (resid  83 and name  HB1) (resid  84 and name   HN)  3.85  2.15  2.15
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assign (resid  83 and name HD2*) (resid  83 and name  HB1)  3.85  2.15  2.15
assign (resid  83 and name HD2*) (resid  65 and name   HA)  3.85  2.15  2.15
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assign (resid  83 and name HD2*) (resid  84 and name   HN)  3.85  2.15  2.15
assign (resid  83 and name   HG) (resid  83 and name   HA)  3.85  2.15  2.15
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assign (resid  76 and name HG1*) (resid  70 and name   HB)  3.85  2.15  2.15
assign (resid  76 and name HG1*) (resid  82 and name   HA)  3.85  2.15  2.15
assign (resid  76 and name HG2*) (resid  99 and name   HA)  3.85  2.15  2.15
assign (resid  76 and name HG2*) (resid  75 and name   HA)  3.85  2.15  2.15
assign (resid  76 and name HG2*) (resid  76 and name   HA)  3.85  2.15  2.15
assign (resid  82 and name   HA) (resid  82 and name   HB)  2.60  0.90  0.90
assign (resid  82 and name   HA) (resid  82 and name HG1*)  2.73  1.03  1.04
assign (resid  82 and name   HA) (resid  82 and name HG2*)  3.54  1.84  1.83
assign (resid  82 and name   HB) (resid  82 and name HG1*)  2.57  0.87  0.87
assign (resid  82 and name   HB) (resid  82 and name HG2*)  2.53  0.83  0.83
assign (resid  82 and name HG1*) (resid  83 and name   HN)  3.85  2.15  2.15
assign (resid  82 and name HG1*) (resid  95 and name   HN)  3.85  2.15  2.15
assign (resid  82 and name HG1*) (resid  80 and name  HB1)  3.85  2.15  2.15
assign (resid  82 and name HG1*) (resid  82 and name HG2*)  2.44  0.74  0.75
assign (resid  82 and name HG2*) (resid  96 and name   HA)  3.85  2.15  2.15
assign (resid  82 and name HG2*) (resid  94 and name   HB)  2.79  1.09  1.10
assign (resid  82 and name HG2*) (resid  94 and name HG1*)  3.85  2.15  2.15
assign (resid  82 and name HG2*) (resid  83 and name  HB2)  3.85  2.15  2.15
assign (resid  82 and name HG2*) (resid  83 and name  HB1)  3.85  2.15  2.15
assign (resid  82 and name HG2*) (resid  83 and name   HN)  2.71  1.01  1.00
assign (resid  82 and name HG2*) (resid  81 and name   HA)  3.85  2.15  2.15
assign (resid  84 and name   HA) (resid  84 and name  HG*)  2.88  1.18  1.17
assign (resid  84 and name   HB) (resid  67 and name  HG*)  3.85  2.15  2.15
assign (resid  84 and name   HB) (resid  84 and name  HG*)  2.48  0.78  0.78
assign (resid  84 and name  HG*) (resid  94 and name   HN)  3.85  2.15  2.15
assign (resid  84 and name  HG*) (resid  67 and name  HG*)  3.85  2.15  2.15
assign (resid  84 and name  HG*) (resid  85 and name   HA)  3.85  2.15  2.15
assign (resid  51 and name    C) (resid  52 and name    N)
       (resid  52 and name   CA) (resid  52 and name    C)  1.0  -95.0   85.0 2
assign (resid  61 and name    C) (resid  62 and name    N)
       (resid  62 and name   CA) (resid  62 and name    C)  1.0  -95.0   85.0 2
assign (resid  63 and name    C) (resid  64 and name    N)
       (resid  64 and name   CA) (resid  64 and name    C)  1.0 -120.0   30.0 2
assign (resid  65 and name    C) (resid  66 and name    N)
       (resid  66 and name   CA) (resid  66 and name    C)  1.0 -120.0   30.0 2
assign (resid  67 and name    C) (resid  68 and name    N)
       (resid  68 and name   CA) (resid  68 and name    C)  1.0 -120.0   30.0 2
assign (resid  74 and name    C) (resid  75 and name    N)
       (resid  75 and name   CA) (resid  75 and name    C)  1.0 -120.0   30.0 2
assign (resid  75 and name    C) (resid  76 and name    N)
       (resid  76 and name   CA) (resid  76 and name    C)  1.0 -120.0   30.0 2
assign (resid  81 and name    C) (resid  82 and name    N)
       (resid  82 and name   CA) (resid  82 and name    C)  1.0 -120.0   30.0 2
assign (resid  83 and name    C) (resid  84 and name    N)
       (resid  84 and name   CA) (resid  84 and name    C)  1.0 -120.0   30.0 2
assign (resid  84 and name    C) (resid  85 and name    N)
       (resid  85 and name   CA) (resid  85 and name    C)  1.0 -120.0   30.0 2
assign (resid  85 and name    C) (resid  86 and name    N)
       (resid  86 and name   CA) (resid  86 and name    C)  1.0 -120.0   30.0 2
assign (resid  91 and name    C) (resid  92 and name    N)
       (resid  92 and name   CA) (resid  92 and name    C)  1.0 -120.0   30.0 2
assign (resid  93 and name    C) (resid  94 and name    N)
       (resid  94 and name   CA) (resid  94 and name    C)  1.0 -120.0   30.0 2
assign (resid  94 and name    C) (resid  95 and name    N)
       (resid  95 and name   CA) (resid  95 and name    C)  1.0  -95.0   85.0 2
assign (resid  95 and name    C) (resid  96 and name    N)
       (resid  96 and name   CA) (resid  96 and name    C)  1.0  -95.0   85.0 2
assign (resid  97 and name    C) (resid  98 and name    N)
       (resid  98 and name   CA) (resid  98 and name    C)  1.0  -95.0   85.0 2
assign (resid  98 and name    C) (resid  99 and name    N)
       (resid  99 and name   CA) (resid  99 and name    C)  1.0  -95.0   85.0 2
assign (resid 100 and name    C) (resid 101 and name    N)
       (resid 101 and name   CA) (resid 101 and name    C)  1.0 -120.0   30.0 2
assign (resid 104 and name    C) (resid 105 and name    N)
       (resid 105 and name   CA) (resid 105 and name    C)  1.0 -120.0   30.0 2
assign (resid 112 and name    C) (resid 113 and name    N)
       (resid 113 and name   CA) (resid 113 and name    C)  1.0 -120.0   30.0 2
assign (resid 121 and name    C) (resid 122 and name    N)
       (resid 122 and name   CA) (resid 122 and name    C)  1.0 -120.0   30.0 2
assign (resid  86 and name    C) (resid  87 and name    N)
       (resid  87 and name   CA) (resid  87 and name    C)  1.0  -95.0   85.0 2
assign (resid  87 and name    C) (resid  88 and name    N)
       (resid  88 and name   CA) (resid  88 and name    C)  1.0   60.0   60.0 2
assign (resid  88 and name    C) (resid  89 and name    N)
       (resid  89 and name   CA) (resid  89 and name    C)  1.0   90.0   60.0 2
assign (resid  89 and name    C) (resid  90 and name    N)
       (resid  90 and name   CA) (resid  90 and name    C)  1.0 -120.0   30.0 2
assign (resid  70 and name    C) (resid  71 and name    N)
       (resid  71 and name   CA) (resid  71 and name    C)  1.0 -130.0   60.0 2
assign (resid  71 and name    C) (resid  72 and name    N)
       (resid  72 and name   CA) (resid  72 and name    C)  1.0  -90.0   70.0 2
assign (resid  72 and name    C) (resid  73 and name    N)
       (resid  73 and name   CA) (resid  73 and name    C)  1.0   80.0   60.0 2
assign (resid  76 and name    C) (resid  77 and name    N)
       (resid  77 and name   CA) (resid  77 and name    C)  1.0 -130.0   60.0 2
assign (resid  77 and name    C) (resid  78 and name    N)
       (resid  78 and name   CA) (resid  78 and name    C)  1.0  -90.0   70.0 2
assign (resid  78 and name    C) (resid  79 and name    N)
       (resid  79 and name   CA) (resid  79 and name    C)  1.0   80.0   60.0 2
assign (resid 107 and name    C) (resid 108 and name    N)
       (resid 108 and name   CA) (resid 108 and name    C)  1.0 -130.0   60.0 2
assign (resid 108 and name    C) (resid 109 and name    N)
       (resid 109 and name   CA) (resid 109 and name    C)  1.0  -90.0   70.0 2
assign (resid 109 and name    C) (resid 110 and name    N)
       (resid 110 and name   CA) (resid 110 and name    C)  1.0   80.0   60.0 2
assign (resid 113 and name    C) (resid 114 and name    N)
       (resid 114 and name   CA) (resid 114 and name    C)  1.0 -130.0   60.0 2
assign (resid 114 and name    C) (resid 115 and name    N)
       (resid 115 and name   CA) (resid 115 and name    C)  1.0  -90.0   70.0 2
assign (resid 115 and name    C) (resid 116 and name    N)
       (resid 116 and name   CA) (resid 116 and name    C)  1.0   80.0   60.0 2
assign (resid  51 and name    N) (resid  51 and name   CA)
       (resid  51 and name    C) (resid  52 and name    N)  1.0   90.0   90.0 2
assign (resid  61 and name    N) (resid  61 and name   CA)
       (resid  61 and name    C) (resid  62 and name    N)  1.0   90.0   90.0 2
assign (resid  86 and name    N) (resid  86 and name   CA)
       (resid  86 and name    C) (resid  87 and name    N)  1.0   90.0   90.0 2
assign (resid  93 and name    N) (resid  93 and name   CA)
       (resid  93 and name    C) (resid  94 and name    N)  1.0   90.0   90.0 2
assign (resid  94 and name    N) (resid  94 and name   CA)
       (resid  94 and name    C) (resid  95 and name    N)  1.0   90.0   90.0 2
assign (resid  95 and name    N) (resid  95 and name   CA)
       (resid  95 and name    C) (resid  96 and name    N)  1.0   90.0   90.0 2
assign (resid  98 and name    N) (resid  98 and name   CA)
       (resid  98 and name    C) (resid  99 and name    N)  1.0   90.0   90.0 2
assign (resid  99 and name    N) (resid  99 and name   CA)
       (resid  99 and name    C) (resid 100 and name    N)  1.0   90.0   90.0 2
assign (resid 113 and name    N) (resid 113 and name   CA)
       (resid 113 and name    C) (resid 114 and name    N)  1.0   90.0   90.0 2
assign (resid  87 and name    N) (resid  87 and name   CA)
       (resid  87 and name    C) (resid  88 and name    N)  1.0  120.0   60.0 2
assign (resid  88 and name    N) (resid  88 and name   CA)
       (resid  88 and name    C) (resid  89 and name    N)  1.0   40.0   40.0 2
assign (resid  89 and name    N) (resid  89 and name   CA)
       (resid  89 and name    C) (resid  90 and name    N)  1.0    0.0   40.0 2
assign (resid  90 and name    N) (resid  90 and name   CA)
       (resid  90 and name    C) (resid  91 and name    N)  1.0  120.0   60.0 2
assign (resid  71 and name    N) (resid  71 and name   CA)
       (resid  71 and name    C) (resid  72 and name    N)  1.0  120.0   60.0 2
assign (resid  72 and name    N) (resid  72 and name   CA)
       (resid  72 and name    C) (resid  73 and name    N)  1.0  120.0   60.0 2
assign (resid  73 and name    N) (resid  73 and name   CA)
       (resid  73 and name    C) (resid  74 and name    N)  1.0    0.0   60.0 2
assign (resid  77 and name    N) (resid  77 and name   CA)
       (resid  77 and name    C) (resid  78 and name    N)  1.0  120.0   60.0 2
assign (resid  78 and name    N) (resid  78 and name   CA)
       (resid  78 and name    C) (resid  79 and name    N)  1.0  120.0   60.0 2
assign (resid  79 and name    N) (resid  79 and name   CA)
       (resid  79 and name    C) (resid  80 and name    N)  1.0    0.0   60.0 2
assign (resid 108 and name    N) (resid 108 and name   CA)
       (resid 108 and name    C) (resid 109 and name    N)  1.0  120.0   60.0 2
assign (resid 109 and name    N) (resid 109 and name   CA)
       (resid 109 and name    C) (resid 110 and name    N)  1.0  120.0   60.0 2
assign (resid 110 and name    N) (resid 110 and name   CA)
       (resid 110 and name    C) (resid 111 and name    N)  1.0    0.0   60.0 2
assign (resid 114 and name    N) (resid 114 and name   CA)
       (resid 114 and name    C) (resid 115 and name    N)  1.0  120.0   60.0 2
assign (resid 115 and name    N) (resid 115 and name   CA)
       (resid 115 and name    C) (resid 116 and name    N)  1.0  120.0   60.0 2
assign (resid 116 and name    N) (resid 116 and name   CA)
       (resid 116 and name    C) (resid 117 and name    N)  1.0    0.0   60.0 2
assign (resid  56 and name    N) (resid  56 and name   CA)
       (resid  56 and name   CB) (resid  56 and name   CG)  1.0  -60.0   30.0 2
assign (resid  69 and name    N) (resid  69 and name   CA)
       (resid  69 and name   CB) (resid  69 and name   CG)  1.0  -60.0   30.0 2
assign (resid  70 and name    N) (resid  70 and name   CA)
       (resid  70 and name   CB) (resid  70 and name  CG1)  1.0  -60.0   30.0 2
assign (resid  75 and name    N) (resid  75 and name   CA)
       (resid  75 and name   CB) (resid  75 and name  OG1)  1.0  -60.0   30.0 2
assign (resid  76 and name    N) (resid  76 and name   CA)
       (resid  76 and name   CB) (resid  76 and name  CG1)  1.0  -60.0   30.0 2
assign (resid  81 and name    N) (resid  81 and name   CA)
       (resid  81 and name   CB) (resid  81 and name  OG1)  1.0  -60.0   30.0 2
assign (resid  92 and name    N) (resid  92 and name   CA)
       (resid  92 and name   CB) (resid  92 and name  OG1)  1.0  -60.0   30.0 2
assign (resid  98 and name    N) (resid  98 and name   CA)
       (resid  98 and name   CB) (resid  98 and name  OG1)  1.0   60.0   30.0 2
assign (resid  99 and name    N) (resid  99 and name   CA)
       (resid  99 and name   CB) (resid  99 and name   CG)  1.0   60.0   30.0 2
assign (resid 103 and name    N) (resid 103 and name   CA)
       (resid 103 and name   CB) (resid 103 and name   CG)  1.0   60.0   30.0 2
assign (resid 107 and name    N) (resid 107 and name   CA)
       (resid 107 and name   CB) (resid 107 and name  CG1)  1.0  -60.0   30.0 2
assign (resid 113 and name    N) (resid 113 and name   CA)
       (resid 113 and name   CB) (resid 113 and name  CG1)  1.0  -60.0   30.0 2
assign (resid 114 and name    N) (resid 114 and name   CA)
       (resid 114 and name   CB) (resid 114 and name   CG)  1.0  -60.0   30.0 2
assign (resid 117 and name    N) (resid 117 and name   CA)
       (resid 117 and name   CB) (resid 117 and name   CG)  1.0  180.0   30.0 2
assign (resid  64 and name    N) (resid  64 and name   CA)
       (resid  64 and name   CB) (resid  64 and name  OG1)  1.0  -60.0   30.0 2
assign (resid  74 and name    N) (resid  74 and name   CA)
       (resid  74 and name   CB) (resid  74 and name   CG)  1.0  -60.0   30.0 2
assign (resid  91 and name    N) (resid  91 and name   CA)
       (resid  91 and name   CB) (resid  91 and name   CG)  1.0  -60.0   30.0 2
assign (resid  84 and name    N) (resid  84 and name   CA)
       (resid  84 and name   CB) (resid  84 and name  CG1)  1.0  180.0   30.0 2
assign (resid 102 and name    N) (resid 102 and name   CA)
       (resid 102 and name   CB) (resid 102 and name  CG1)  1.0  180.0   30.0 2
assign (resid  65 and name    N) (resid  65 and name   CA)
       (resid  65 and name   CB) (resid  65 and name  CG1)  1.0  180.0   30.0 2
assign (resid  57 and name    N) (resid  57 and name   CA)
       (resid  57 and name   CB) (resid  57 and name  CG1)  1.0  -60.0   30.0 2
assign (resid  94 and name    N) (resid  94 and name   CA)
       (resid  94 and name   CB) (resid  94 and name  CG1)  1.0  -60.0   30.0 2
assign (resid 106 and name    N) (resid 106 and name   CA)
       (resid 106 and name   CB) (resid 106 and name   CG)  1.0  -60.0   30.0 2
assign (resid 119 and name    N) (resid 119 and name   CA)
       (resid 119 and name   CB) (resid 119 and name   CG)  1.0  -60.0   30.0 2
assign (resid 120 and name    N) (resid 120 and name   CA)
       (resid 120 and name   CB) (resid 120 and name  CG1)  1.0  -60.0   30.0 2
assign (resid 122 and name    N) (resid 122 and name   CA)
       (resid 122 and name   CB) (resid 122 and name  CG1)  1.0  -60.0   30.0 2
assign (resid 105 and name    N) (resid 105 and name   CA)
       (resid 105 and name   CB) (resid 105 and name  CG1)  1.0  180.0   30.0 2
assign (resid  68 and name    N) (resid  68 and name   CA)
       (resid  68 and name   CB) (resid  68 and name  CG1)  1.0  -60.0   30.0 2





  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA  47           HT1      ALA  47  18.322  10.675  -6.584
    2   2H    ALA  47           HT2      ALA  47  16.883  10.140  -5.857
    3   3H    ALA  47           HT3      ALA  47  17.842   9.057  -6.747
    4    HA   ALA  47           HA       ALA  47  19.462   8.917  -5.137
    5   1HB   ALA  47           HB1      ALA  47  19.778  10.500  -3.353
    6   2HB   ALA  47           HB2      ALA  47  18.254  11.308  -3.723
    7   3HB   ALA  47           HB3      ALA  47  19.611  11.428  -4.843
    8    H    GLY  48           HN       GLY  48  16.813   7.863  -5.509
    9   1HA   GLY  48           HA2      GLY  48  16.434   6.688  -2.899
   10   2HA   GLY  48           HA1      GLY  48  15.100   7.727  -3.392
   11    H    ALA  49           HN       ALA  49  15.763   4.651  -3.147
   12    HA   ALA  49           HA       ALA  49  15.186   3.633  -5.776
   13   1HB   ALA  49           HB1      ALA  49  16.435   2.396  -3.924
   14   2HB   ALA  49           HB2      ALA  49  15.196   1.476  -4.778
   15   3HB   ALA  49           HB3      ALA  49  14.859   2.134  -3.177
   16    H    GLY  50           HN       GLY  50  13.348   4.396  -2.882
   17   1HA   GLY  50           HA2      GLY  50  10.919   4.848  -4.139
   18   2HA   GLY  50           HA1      GLY  50  10.910   3.146  -3.683
   19    H    LYS  51           HN       LYS  51   9.869   6.047  -2.703
   20    HA   LYS  51           HA       LYS  51   9.622   5.176   0.069
   21   1HB   LYS  51           HB2      LYS  51  10.367   7.417   0.923
   22   2HB   LYS  51           HB1      LYS  51  11.668   6.443   0.236
   23   1HG   LYS  51           HG2      LYS  51  11.669   7.701  -1.795
   24   2HG   LYS  51           HG1      LYS  51  10.146   8.492  -1.386
   25   1HD   LYS  51           HD2      LYS  51  11.960  10.053  -0.966
   26   2HD   LYS  51           HD1      LYS  51  11.287   9.545   0.584
   27   1HE   LYS  51           HE2      LYS  51  13.093   8.039   0.983
   28   2HE   LYS  51           HE1      LYS  51  13.661   8.169  -0.676
   29   1HZ   LYS  51           HZ1      LYS  51  15.079   9.472   0.666
   30   2HZ   LYS  51           HZ2      LYS  51  13.776  10.238   1.441
   31   3HZ   LYS  51           HZ3      LYS  51  14.104  10.560  -0.195
   32    H    ALA  52           HN       ALA  52   8.197   6.720   1.307
   33    HA   ALA  52           HA       ALA  52   6.323   8.180  -0.438
   34   1HB   ALA  52           HB1      ALA  52   5.710   5.673   0.485
   35   2HB   ALA  52           HB2      ALA  52   4.521   6.910   0.079
   36   3HB   ALA  52           HB3      ALA  52   5.031   6.693   1.753
   37    H    GLY  53           HN       GLY  53   4.594   9.250   1.127
   38   1HA   GLY  53           HA2      GLY  53   4.956   9.944   3.723
   39   2HA   GLY  53           HA1      GLY  53   6.129  10.961   2.891
   40    H    GLU  54           HN       GLU  54   4.997  11.863   0.707
   41    HA   GLU  54           HA       GLU  54   2.678  13.379   1.700
   42   1HB   GLU  54           HB2      GLU  54   4.830  13.907  -0.297
   43   2HB   GLU  54           HB1      GLU  54   3.259  14.668  -0.553
   44   1HG   GLU  54           HG2      GLU  54   3.396  15.412   1.899
   45   2HG   GLU  54           HG1      GLU  54   5.096  14.948   1.829
   46    H    GLY  55           HN       GLY  55   0.924  12.106   1.304
   47   1HA   GLY  55           HA2      GLY  55  -0.899  11.626  -0.110
   48   2HA   GLY  55           HA1      GLY  55   0.165  11.795  -1.504
   49    H    GLU  56           HN       GLU  56   2.152  10.095  -1.149
   50    HA   GLU  56           HA       GLU  56   0.881   7.513  -1.450
   51   1HB   GLU  56           HB2      GLU  56   3.828   8.196  -1.478
   52   2HB   GLU  56           HB1      GLU  56   3.082   6.718  -2.085
   53   1HG   GLU  56           HG2      GLU  56   1.978   7.885  -3.853
   54   2HG   GLU  56           HG1      GLU  56   2.345   9.455  -3.137
   55    H    ILE  57           HN       ILE  57   0.755   5.932   0.015
   56    HA   ILE  57           HA       ILE  57   1.687   6.430   2.710
   57    HB   ILE  57           HB       ILE  57   0.344   3.951   1.608
   58   1HG1  ILE  57          HG12      ILE  57  -0.945   6.314   3.004
   59   2HG1  ILE  57          HG11      ILE  57  -0.928   6.122   1.250
   60   1HG2  ILE  57          HG21      ILE  57   1.529   3.847   3.855
   61   2HG2  ILE  57          HG22      ILE  57  -0.194   3.476   3.899
   62   3HG2  ILE  57          HG23      ILE  57   0.381   5.058   4.426
   63   1HD1  ILE  57          HD11      ILE  57  -1.893   3.858   2.970
   64   2HD1  ILE  57          HD12      ILE  57  -2.319   4.250   1.304
   65   3HD1  ILE  57          HD13      ILE  57  -2.972   5.212   2.631
   66    HA   PRO  58           HA       PRO  58   5.491   4.210   1.974
   67   1HB   PRO  58           HB2      PRO  58   6.433   4.176   4.534
   68   2HB   PRO  58           HB1      PRO  58   6.498   5.612   3.494
   69   1HG   PRO  58           HG2      PRO  58   4.621   4.954   5.694
   70   2HG   PRO  58           HG1      PRO  58   5.308   6.515   5.219
   71   1HD   PRO  58           HD2      PRO  58   2.764   5.694   4.609
   72   2HD   PRO  58           HD1      PRO  58   3.676   6.907   3.686
   73    H    ALA  59           HN       ALA  59   6.068   2.087   1.981
   74    HA   ALA  59           HA       ALA  59   4.257   0.162   3.127
   75   1HB   ALA  59           HB1      ALA  59   6.640   0.077   1.347
   76   2HB   ALA  59           HB2      ALA  59   5.068  -0.701   1.164
   77   3HB   ALA  59           HB3      ALA  59   6.268  -1.385   2.262
   78    HA   PRO  60           HA       PRO  60   6.362  -0.480   6.945
   79   1HB   PRO  60           HB2      PRO  60   5.623  -3.049   7.508
   80   2HB   PRO  60           HB1      PRO  60   4.523  -1.664   7.656
   81   1HG   PRO  60           HG2      PRO  60   4.735  -3.691   5.494
   82   2HG   PRO  60           HG1      PRO  60   3.298  -2.923   6.189
   83   1HD   PRO  60           HD2      PRO  60   4.404  -2.192   3.805
   84   2HD   PRO  60           HD1      PRO  60   3.462  -1.095   4.836
   85    H    LEU  61           HN       LEU  61   6.797  -2.798   4.343
   86    HA   LEU  61           HA       LEU  61   9.623  -2.990   4.847
   87   1HB   LEU  61           HB2      LEU  61   9.561  -5.505   5.063
   88   2HB   LEU  61           HB1      LEU  61   9.096  -4.591   6.480
   89    HG   LEU  61           HG       LEU  61   6.656  -4.979   5.454
   90   1HD1  LEU  61          HD11      LEU  61   8.057  -6.324   3.587
   91   2HD1  LEU  61          HD12      LEU  61   6.433  -6.805   4.078
   92   3HD1  LEU  61          HD13      LEU  61   7.839  -7.623   4.760
   93   1HD2  LEU  61          HD21      LEU  61   8.101  -7.222   6.886
   94   2HD2  LEU  61          HD22      LEU  61   6.409  -6.748   7.045
   95   3HD2  LEU  61          HD23      LEU  61   7.680  -5.708   7.686
   96    H    ALA  62           HN       ALA  62  10.722  -4.283   3.217
   97    HA   ALA  62           HA       ALA  62   9.454  -4.008   0.640
   98   1HB   ALA  62           HB1      ALA  62  11.985  -3.731   1.288
   99   2HB   ALA  62           HB2      ALA  62  11.549  -4.412  -0.280
  100   3HB   ALA  62           HB3      ALA  62  12.037  -5.476   1.039
  101    H    GLY  63           HN       GLY  63   7.762  -5.442   0.499
  102   1HA   GLY  63           HA2      GLY  63   8.505  -8.311   0.522
  103   2HA   GLY  63           HA1      GLY  63   6.949  -7.738   1.118
  104    H    THR  64           HN       THR  64   5.623  -8.750  -0.327
  105    HA   THR  64           HA       THR  64   5.762  -7.765  -3.103
  106    HB   THR  64           HB       THR  64   5.120 -10.640  -2.423
  107    HG1  THR  64           HG1      THR  64   7.215 -10.672  -2.116
  108   1HG2  THR  64          HG21      THR  64   5.373  -8.996  -4.918
  109   2HG2  THR  64          HG22      THR  64   4.156 -10.200  -4.493
  110   3HG2  THR  64          HG23      THR  64   5.773 -10.713  -4.975
  111    H    VAL  65           HN       VAL  65   3.815  -7.315  -4.018
  112    HA   VAL  65           HA       VAL  65   1.552  -7.027  -2.291
  113    HB   VAL  65           HB       VAL  65   1.602  -6.820  -5.311
  114   1HG1  VAL  65          HG11      VAL  65  -0.319  -6.143  -3.138
  115   2HG1  VAL  65          HG12      VAL  65  -0.631  -6.635  -4.803
  116   3HG1  VAL  65          HG13      VAL  65  -0.160  -4.973  -4.449
  117   1HG2  VAL  65          HG21      VAL  65   3.184  -5.221  -4.821
  118   2HG2  VAL  65          HG22      VAL  65   2.638  -5.043  -3.153
  119   3HG2  VAL  65          HG23      VAL  65   1.745  -4.266  -4.461
  120    H    SER  66           HN       SER  66  -0.009  -8.436  -1.858
  121    HA   SER  66           HA       SER  66  -0.116 -10.936  -3.408
  122   1HB   SER  66           HB2      SER  66  -0.003 -10.686  -0.756
  123   2HB   SER  66           HB1      SER  66  -1.748 -10.544  -0.944
  124    HG   SER  66           HG       SER  66  -1.677 -12.511  -2.130
  125    H    LYS  67           HN       LYS  67  -2.342  -8.557  -1.954
  126    HA   LYS  67           HA       LYS  67  -4.060  -8.717  -4.304
  127   1HB   LYS  67           HB2      LYS  67  -4.844 -10.559  -2.795
  128   2HB   LYS  67           HB1      LYS  67  -5.177  -9.344  -1.561
  129   1HG   LYS  67           HG2      LYS  67  -6.991  -8.494  -2.687
  130   2HG   LYS  67           HG1      LYS  67  -6.307  -8.852  -4.273
  131   1HD   LYS  67           HD2      LYS  67  -7.116 -11.005  -4.293
  132   2HD   LYS  67           HD1      LYS  67  -6.994 -11.178  -2.542
  133   1HE   LYS  67           HE2      LYS  67  -8.913  -9.554  -2.335
  134   2HE   LYS  67           HE1      LYS  67  -9.097  -9.641  -4.082
  135   1HZ   LYS  67           HZ1      LYS  67  -9.169 -12.187  -3.593
  136   2HZ   LYS  67           HZ2      LYS  67 -10.560 -11.230  -3.408
  137   3HZ   LYS  67           HZ3      LYS  67  -9.646 -11.677  -2.048
  138    H    ILE  68           HN       ILE  68  -5.445  -6.960  -4.520
  139    HA   ILE  68           HA       ILE  68  -4.792  -4.680  -2.772
  140    HB   ILE  68           HB       ILE  68  -6.221  -4.656  -5.442
  141   1HG1  ILE  68          HG12      ILE  68  -3.346  -3.870  -4.967
  142   2HG1  ILE  68          HG11      ILE  68  -3.773  -5.534  -5.365
  143   1HG2  ILE  68          HG21      ILE  68  -4.696  -2.362  -4.270
  144   2HG2  ILE  68          HG22      ILE  68  -6.294  -2.722  -3.615
  145   3HG2  ILE  68          HG23      ILE  68  -6.108  -2.345  -5.328
  146   1HD1  ILE  68          HD11      ILE  68  -3.225  -3.751  -7.272
  147   2HD1  ILE  68          HD12      ILE  68  -4.931  -3.360  -7.055
  148   3HD1  ILE  68          HD13      ILE  68  -4.452  -4.996  -7.505
  149    H    LEU  69           HN       LEU  69  -6.265  -3.798  -1.452
  150    HA   LEU  69           HA       LEU  69  -8.971  -4.955  -1.456
  151   1HB   LEU  69           HB2      LEU  69  -7.312  -3.547   0.601
  152   2HB   LEU  69           HB1      LEU  69  -9.051  -3.627   0.776
  153    HG   LEU  69           HG       LEU  69  -7.491  -6.153   0.343
  154   1HD1  LEU  69          HD11      LEU  69  -6.770  -6.277   2.536
  155   2HD1  LEU  69          HD12      LEU  69  -8.033  -5.196   3.123
  156   3HD1  LEU  69          HD13      LEU  69  -6.628  -4.538   2.284
  157   1HD2  LEU  69          HD21      LEU  69  -9.347  -7.107   1.594
  158   2HD2  LEU  69          HD22      LEU  69 -10.003  -6.083   0.318
  159   3HD2  LEU  69          HD23      LEU  69  -9.960  -5.500   1.982
  160    H    VAL  70           HN       VAL  70  -7.238  -1.904  -1.707
  161    HA   VAL  70           HA       VAL  70  -9.812  -0.514  -2.134
  162    HB   VAL  70           HB       VAL  70  -8.546   1.574  -1.713
  163   1HG1  VAL  70          HG11      VAL  70  -7.958   0.938   0.751
  164   2HG1  VAL  70          HG12      VAL  70  -8.596  -0.648   0.318
  165   3HG1  VAL  70          HG13      VAL  70  -9.629   0.777   0.210
  166   1HG2  VAL  70          HG21      VAL  70  -6.262  -0.142  -0.751
  167   2HG2  VAL  70          HG22      VAL  70  -6.265   1.579  -1.135
  168   3HG2  VAL  70          HG23      VAL  70  -6.327   0.386  -2.432
  169    H    LYS  71           HN       LYS  71 -10.110   0.789  -3.921
  170    HA   LYS  71           HA       LYS  71  -8.042   0.692  -6.021
  171   1HB   LYS  71           HB2      LYS  71  -9.860   0.300  -7.702
  172   2HB   LYS  71           HB1      LYS  71  -9.590  -1.067  -6.621
  173   1HG   LYS  71           HG2      LYS  71 -11.515  -0.533  -5.309
  174   2HG   LYS  71           HG1      LYS  71 -11.682   1.047  -6.074
  175   1HD   LYS  71           HD2      LYS  71 -12.658   0.185  -7.962
  176   2HD   LYS  71           HD1      LYS  71 -11.727  -1.312  -7.885
  177   1HE   LYS  71           HE2      LYS  71 -13.114  -1.948  -5.865
  178   2HE   LYS  71           HE1      LYS  71 -14.136  -0.561  -6.216
  179   1HZ   LYS  71           HZ1      LYS  71 -13.594  -2.497  -8.350
  180   2HZ   LYS  71           HZ2      LYS  71 -14.962  -1.523  -8.095
  181   3HZ   LYS  71           HZ3      LYS  71 -14.711  -2.907  -7.142
  182    H    GLU  72           HN       GLU  72  -8.405   2.308  -7.725
  183    HA   GLU  72           HA       GLU  72  -8.860   4.877  -6.680
  184   1HB   GLU  72           HB2      GLU  72  -8.894   3.945  -9.561
  185   2HB   GLU  72           HB1      GLU  72  -8.833   5.632  -9.047
  186   1HG   GLU  72           HG2      GLU  72  -6.695   5.342  -8.020
  187   2HG   GLU  72           HG1      GLU  72  -6.797   3.586  -8.145
  188    H    GLY  73           HN       GLY  73 -10.798   5.314  -5.779
  189   1HA   GLY  73           HA2      GLY  73 -12.934   6.366  -6.825
  190   2HA   GLY  73           HA1      GLY  73 -13.250   4.697  -7.292
  191    H    ASP  74           HN       ASP  74 -12.018   3.627  -4.837
  192    HA   ASP  74           HA       ASP  74 -14.347   3.956  -3.097
  193   1HB   ASP  74           HB2      ASP  74 -12.044   2.003  -3.126
  194   2HB   ASP  74           HB1      ASP  74 -13.214   2.073  -1.808
  195    H    THR  75           HN       THR  75 -14.204   4.507  -0.906
  196    HA   THR  75           HA       THR  75 -11.896   6.214  -0.265
  197    HB   THR  75           HB       THR  75 -14.343   6.036   1.455
  198    HG1  THR  75           HG1      THR  75 -15.456   7.300   0.081
  199   1HG2  THR  75          HG21      THR  75 -12.311   8.139   0.697
  200   2HG2  THR  75          HG22      THR  75 -12.627   7.455   2.292
  201   3HG2  THR  75          HG23      THR  75 -13.803   8.538   1.548
  202    H    VAL  76           HN       VAL  76 -10.787   6.035   1.702
  203    HA   VAL  76           HA       VAL  76 -11.160   3.461   3.118
  204    HB   VAL  76           HB       VAL  76  -8.690   3.471   3.491
  205   1HG1  VAL  76          HG11      VAL  76  -8.129   2.922   1.068
  206   2HG1  VAL  76          HG12      VAL  76  -9.763   3.445   0.660
  207   3HG1  VAL  76          HG13      VAL  76  -9.520   2.066   1.734
  208   1HG2  VAL  76          HG21      VAL  76  -8.293   5.872   3.178
  209   2HG2  VAL  76          HG22      VAL  76  -8.816   5.758   1.498
  210   3HG2  VAL  76          HG23      VAL  76  -7.335   4.953   2.017
  211    H    LYS  77           HN       LYS  77 -10.070   3.497   5.310
  212    HA   LYS  77           HA       LYS  77 -10.334   6.158   6.573
  213   1HB   LYS  77           HB2      LYS  77 -11.623   3.566   7.318
  214   2HB   LYS  77           HB1      LYS  77 -11.124   4.659   8.609
  215   1HG   LYS  77           HG2      LYS  77 -12.351   6.502   7.318
  216   2HG   LYS  77           HG1      LYS  77 -13.064   5.206   6.357
  217   1HD   LYS  77           HD2      LYS  77 -14.099   4.226   8.288
  218   2HD   LYS  77           HD1      LYS  77 -13.192   5.272   9.380
  219   1HE   LYS  77           HE2      LYS  77 -14.514   7.102   8.953
  220   2HE   LYS  77           HE1      LYS  77 -14.860   6.601   7.303
  221   1HZ   LYS  77           HZ1      LYS  77 -16.203   5.877   9.792
  222   2HZ   LYS  77           HZ2      LYS  77 -16.120   4.694   8.576
  223   3HZ   LYS  77           HZ3      LYS  77 -16.855   6.192   8.259
  224    H    ALA  78           HN       ALA  78  -9.000   6.545   8.355
  225    HA   ALA  78           HA       ALA  78  -6.422   5.422   8.262
  226   1HB   ALA  78           HB1      ALA  78  -5.873   6.902   9.938
  227   2HB   ALA  78           HB2      ALA  78  -7.387   6.648  10.806
  228   3HB   ALA  78           HB3      ALA  78  -7.358   7.656   9.359
  229    H    GLY  79           HN       GLY  79  -6.320   3.232   8.498
  230   1HA   GLY  79           HA2      GLY  79  -5.736   1.769  10.501
  231   2HA   GLY  79           HA1      GLY  79  -7.396   2.079  11.002
  232    H    GLN  80           HN       GLN  80  -8.538   1.991   8.370
  233    HA   GLN  80           HA       GLN  80  -9.091  -0.775   8.161
  234   1HB   GLN  80           HB2      GLN  80 -10.547   1.170   7.368
  235   2HB   GLN  80           HB1      GLN  80  -9.510   1.227   5.943
  236   1HG   GLN  80           HG2      GLN  80 -10.030  -1.124   5.450
  237   2HG   GLN  80           HG1      GLN  80 -11.042  -1.212   6.892
  238   1HE2  GLN  80          HE21      GLN  80 -11.222  -0.749   3.585
  239   2HE2  GLN  80          HE22      GLN  80 -12.681   0.115   3.514
  240    H    THR  81           HN       THR  81  -8.390  -2.338   6.760
  241    HA   THR  81           HA       THR  81  -5.726  -2.149   5.787
  242    HB   THR  81           HB       THR  81  -7.773  -4.204   4.940
  243    HG1  THR  81           HG1      THR  81  -7.850  -4.649   6.982
  244   1HG2  THR  81          HG21      THR  81  -5.415  -3.995   3.889
  245   2HG2  THR  81          HG22      THR  81  -5.914  -5.579   4.484
  246   3HG2  THR  81          HG23      THR  81  -4.826  -4.578   5.446
  247    H    VAL  82           HN       VAL  82  -4.928  -1.754   3.791
  248    HA   VAL  82           HA       VAL  82  -6.880  -0.951   1.719
  249    HB   VAL  82           HB       VAL  82  -5.182   0.581   0.853
  250   1HG1  VAL  82          HG11      VAL  82  -5.199   1.129   3.797
  251   2HG1  VAL  82          HG12      VAL  82  -6.743   1.033   2.949
  252   3HG1  VAL  82          HG13      VAL  82  -5.537   2.220   2.453
  253   1HG2  VAL  82          HG21      VAL  82  -3.035  -0.078   1.276
  254   2HG2  VAL  82          HG22      VAL  82  -3.478  -0.906   2.767
  255   3HG2  VAL  82          HG23      VAL  82  -3.235   0.840   2.768
  256    H    LEU  83           HN       LEU  83  -3.986  -2.806   2.405
  257    HA   LEU  83           HA       LEU  83  -4.401  -4.418   0.049
  258   1HB   LEU  83           HB2      LEU  83  -3.215  -2.587  -0.982
  259   2HB   LEU  83           HB1      LEU  83  -1.984  -2.627   0.259
  260    HG   LEU  83           HG       LEU  83  -2.356  -5.112  -1.338
  261   1HD1  LEU  83          HD11      LEU  83  -0.563  -3.779  -2.896
  262   2HD1  LEU  83          HD12      LEU  83  -1.665  -2.466  -2.479
  263   3HD1  LEU  83          HD13      LEU  83  -2.279  -3.912  -3.280
  264   1HD2  LEU  83          HD21      LEU  83   0.164  -5.008  -1.179
  265   2HD2  LEU  83          HD22      LEU  83  -0.654  -5.050   0.383
  266   3HD2  LEU  83          HD23      LEU  83  -0.015  -3.528  -0.237
  267    H    VAL  84           HN       VAL  84  -3.222  -6.347   0.083
  268    HA   VAL  84           HA       VAL  84  -2.026  -6.970   2.706
  269    HB   VAL  84           HB       VAL  84  -2.898  -8.896   0.539
  270   1HG1  VAL  84          HG11      VAL  84  -1.199  -9.524   2.411
  271   2HG1  VAL  84          HG12      VAL  84  -2.581 -10.587   2.143
  272   3HG1  VAL  84          HG13      VAL  84  -2.595  -9.444   3.486
  273   1HG2  VAL  84          HG21      VAL  84  -4.369  -7.665   2.870
  274   2HG2  VAL  84          HG22      VAL  84  -4.820  -9.253   2.250
  275   3HG2  VAL  84          HG23      VAL  84  -4.907  -7.839   1.200
  276    H    LEU  85           HN       LEU  85   0.049  -7.646   2.909
  277    HA   LEU  85           HA       LEU  85   1.667  -7.726   0.430
  278   1HB   LEU  85           HB2      LEU  85   2.216  -6.651   3.160
  279   2HB   LEU  85           HB1      LEU  85   3.550  -7.269   2.211
  280    HG   LEU  85           HG       LEU  85   1.694  -5.012   1.418
  281   1HD1  LEU  85          HD11      LEU  85   4.640  -4.707   1.766
  282   2HD1  LEU  85          HD12      LEU  85   3.669  -4.857   3.230
  283   3HD1  LEU  85          HD13      LEU  85   3.345  -3.554   2.087
  284   1HD2  LEU  85          HD21      LEU  85   3.843  -6.541  -0.012
  285   2HD2  LEU  85          HD22      LEU  85   3.669  -4.817  -0.338
  286   3HD2  LEU  85          HD23      LEU  85   2.319  -5.911  -0.636
  287    H    GLU  86           HN       GLU  86   3.587  -9.115   0.525
  288    HA   GLU  86           HA       GLU  86   3.325 -11.397   2.375
  289   1HB   GLU  86           HB2      GLU  86   3.204 -11.442  -0.607
  290   2HB   GLU  86           HB1      GLU  86   4.061 -12.751   0.208
  291   1HG   GLU  86           HG2      GLU  86   1.905 -12.778   1.743
  292   2HG   GLU  86           HG1      GLU  86   1.158 -12.020   0.337
  293    H    ALA  87           HN       ALA  87   5.175 -11.446   3.459
  294    HA   ALA  87           HA       ALA  87   7.697 -11.482   1.982
  295   1HB   ALA  87           HB1      ALA  87   8.699  -9.668   3.014
  296   2HB   ALA  87           HB2      ALA  87   7.592  -9.703   4.386
  297   3HB   ALA  87           HB3      ALA  87   7.050  -9.070   2.832
  298    H    MET  88           HN       MET  88   9.200 -12.772   2.912
  299    HA   MET  88           HA       MET  88  10.101 -14.350   4.321
  300   1HB   MET  88           HB2      MET  88   8.634 -12.770   6.449
  301   2HB   MET  88           HB1      MET  88   9.893 -13.969   6.744
  302   1HG   MET  88           HG2      MET  88  11.338 -12.522   5.138
  303   2HG   MET  88           HG1      MET  88  10.143 -11.263   5.444
  304   1HE   MET  88           HE1      MET  88  13.314 -10.961   6.234
  305   2HE   MET  88           HE2      MET  88  12.944  -9.965   7.639
  306   3HE   MET  88           HE3      MET  88  11.970  -9.813   6.180
  307    H    LYS  89           HN       LYS  89   7.523 -14.810   3.050
  308    HA   LYS  89           HA       LYS  89   5.857 -16.396   3.034
  309   1HB   LYS  89           HB2      LYS  89   7.502 -17.590   5.279
  310   2HB   LYS  89           HB1      LYS  89   6.190 -18.409   4.431
  311   1HG   LYS  89           HG2      LYS  89   7.463 -17.988   2.276
  312   2HG   LYS  89           HG1      LYS  89   8.821 -17.462   3.271
  313   1HD   LYS  89           HD2      LYS  89   8.972 -19.623   4.335
  314   2HD   LYS  89           HD1      LYS  89   7.475 -20.159   3.572
  315   1HE   LYS  89           HE2      LYS  89   8.469 -20.191   1.411
  316   2HE   LYS  89           HE1      LYS  89   9.873 -19.285   1.961
  317   1HZ   LYS  89           HZ1      LYS  89  10.767 -21.114   2.982
  318   2HZ   LYS  89           HZ2      LYS  89  10.018 -21.832   1.636
  319   3HZ   LYS  89           HZ3      LYS  89   9.274 -21.898   3.162
  320    H    MET  90           HN       MET  90   5.561 -13.997   4.633
  321    HA   MET  90           HA       MET  90   3.475 -14.978   6.470
  322   1HB   MET  90           HB2      MET  90   5.765 -14.184   7.562
  323   2HB   MET  90           HB1      MET  90   5.056 -12.589   7.305
  324   1HG   MET  90           HG2      MET  90   2.964 -13.445   8.450
  325   2HG   MET  90           HG1      MET  90   3.879 -14.889   8.884
  326   1HE   MET  90           HE1      MET  90   5.598 -14.182  11.904
  327   2HE   MET  90           HE2      MET  90   5.144 -15.250  10.579
  328   3HE   MET  90           HE3      MET  90   3.899 -14.596  11.639
  329    H    GLU  91           HN       GLU  91   1.601 -14.089   5.951
  330    HA   GLU  91           HA       GLU  91   1.405 -11.908   4.098
  331   1HB   GLU  91           HB2      GLU  91  -0.592 -13.491   5.699
  332   2HB   GLU  91           HB1      GLU  91  -1.086 -12.062   4.791
  333   1HG   GLU  91           HG2      GLU  91  -0.278 -13.018   2.720
  334   2HG   GLU  91           HG1      GLU  91   0.435 -14.385   3.578
  335    H    THR  92           HN       THR  92   1.404  -9.806   4.513
  336    HA   THR  92           HA       THR  92   0.849  -8.916   7.283
  337    HB   THR  92           HB       THR  92   2.574  -7.369   5.366
  338    HG1  THR  92           HG1      THR  92   3.381  -9.397   7.176
  339   1HG2  THR  92          HG21      THR  92   2.831  -7.548   8.353
  340   2HG2  THR  92          HG22      THR  92   1.570  -6.543   7.640
  341   3HG2  THR  92          HG23      THR  92   3.265  -6.219   7.279
  342    H    GLU  93           HN       GLU  93  -0.805  -7.569   7.521
  343    HA   GLU  93           HA       GLU  93  -2.215  -6.597   5.168
  344   1HB   GLU  93           HB2      GLU  93  -2.847  -6.287   8.114
  345   2HB   GLU  93           HB1      GLU  93  -3.910  -5.828   6.783
  346   1HG   GLU  93           HG2      GLU  93  -4.087  -8.120   6.042
  347   2HG   GLU  93           HG1      GLU  93  -2.849  -8.637   7.187
  348    H    ILE  94           HN       ILE  94  -2.439  -4.497   4.549
  349    HA   ILE  94           HA       ILE  94  -0.682  -2.546   5.909
  350    HB   ILE  94           HB       ILE  94  -1.747  -2.417   3.079
  351   1HG1  ILE  94          HG12      ILE  94  -0.262  -4.370   3.355
  352   2HG1  ILE  94          HG11      ILE  94   0.524  -3.120   2.394
  353   1HG2  ILE  94          HG21      ILE  94   0.450  -0.899   4.520
  354   2HG2  ILE  94          HG22      ILE  94  -1.128  -0.251   4.071
  355   3HG2  ILE  94          HG23      ILE  94   0.025  -0.712   2.818
  356   1HD1  ILE  94          HD11      ILE  94   2.260  -3.326   3.835
  357   2HD1  ILE  94          HD12      ILE  94   1.287  -4.218   5.004
  358   3HD1  ILE  94          HD13      ILE  94   1.250  -2.455   4.989
  359    H    ASN  95           HN       ASN  95  -1.695  -1.092   7.106
  360    HA   ASN  95           HA       ASN  95  -4.510  -0.448   6.505
  361   1HB   ASN  95           HB2      ASN  95  -2.869   0.000   9.010
  362   2HB   ASN  95           HB1      ASN  95  -4.550   0.495   8.805
  363   1HD2  ASN  95          HD21      ASN  95  -3.121  -1.707  10.519
  364   2HD2  ASN  95          HD22      ASN  95  -4.067  -3.086  10.226
  365    H    ALA  96           HN       ALA  96  -5.165   1.601   6.066
  366    HA   ALA  96           HA       ALA  96  -3.332   3.430   4.954
  367   1HB   ALA  96           HB1      ALA  96  -5.399   5.046   5.344
  368   2HB   ALA  96           HB2      ALA  96  -6.225   3.528   5.695
  369   3HB   ALA  96           HB3      ALA  96  -5.459   3.773   4.125
  370    HA   PRO  97           HA       PRO  97  -1.863   5.509   8.565
  371   1HB   PRO  97           HB2      PRO  97  -1.009   7.853   7.455
  372   2HB   PRO  97           HB1      PRO  97  -0.136   6.318   7.280
  373   1HG   PRO  97           HG2      PRO  97  -1.928   7.706   5.361
  374   2HG   PRO  97           HG1      PRO  97  -0.444   6.786   5.063
  375   1HD   PRO  97           HD2      PRO  97  -2.959   5.800   4.650
  376   2HD   PRO  97           HD1      PRO  97  -1.540   4.791   5.001
  377    H    THR  98           HN       THR  98  -3.975   7.306   6.364
  378    HA   THR  98           HA       THR  98  -5.434   8.392   8.660
  379    HB   THR  98           HB       THR  98  -5.453  10.664   7.455
  380    HG1  THR  98           HG1      THR  98  -4.491  10.058   5.545
  381   1HG2  THR  98          HG21      THR  98  -2.747   9.887   8.533
  382   2HG2  THR  98          HG22      THR  98  -4.164   9.952   9.582
  383   3HG2  THR  98          HG23      THR  98  -3.620  11.405   8.744
  384    H    ASP  99           HN       ASP  99  -7.476   9.448   7.966
  385    HA   ASP  99           HA       ASP  99  -8.888   7.783   6.143
  386   1HB   ASP  99           HB2      ASP  99 -10.751   9.429   6.470
  387   2HB   ASP  99           HB1      ASP  99 -10.088   8.795   7.977
  388    H    GLY 100           HN       GLY 100  -9.598   8.143   4.083
  389   1HA   GLY 100           HA2      GLY 100  -9.614  10.526   2.649
  390   2HA   GLY 100           HA1      GLY 100  -8.019   9.819   2.406
  391    H    LYS 101           HN       LYS 101  -8.662   9.684   0.145
  392    HA   LYS 101           HA       LYS 101 -10.153   7.192  -0.385
  393   1HB   LYS 101           HB2      LYS 101 -11.565   9.242  -0.862
  394   2HB   LYS 101           HB1      LYS 101 -10.395   9.658  -2.115
  395   1HG   LYS 101           HG2      LYS 101 -10.775   7.294  -3.037
  396   2HG   LYS 101           HG1      LYS 101 -12.176   7.221  -1.968
  397   1HD   LYS 101           HD2      LYS 101 -11.717   9.415  -4.008
  398   2HD   LYS 101           HD1      LYS 101 -12.727   7.997  -4.294
  399   1HE   LYS 101           HE2      LYS 101 -14.209   8.605  -2.491
  400   2HE   LYS 101           HE1      LYS 101 -13.137   9.903  -1.981
  401   1HZ   LYS 101           HZ1      LYS 101 -14.874  10.891  -3.193
  402   2HZ   LYS 101           HZ2      LYS 101 -14.764   9.753  -4.450
  403   3HZ   LYS 101           HZ3      LYS 101 -13.532  10.901  -4.229
  404    H    VAL 102           HN       VAL 102  -9.420   5.987  -2.123
  405    HA   VAL 102           HA       VAL 102  -6.661   6.371  -2.837
  406    HB   VAL 102           HB       VAL 102  -8.644   4.407  -4.013
  407   1HG1  VAL 102          HG11      VAL 102  -5.625   4.586  -3.919
  408   2HG1  VAL 102          HG12      VAL 102  -6.661   4.478  -5.343
  409   3HG1  VAL 102          HG13      VAL 102  -6.473   3.082  -4.281
  410   1HG2  VAL 102          HG21      VAL 102  -7.214   4.513  -1.403
  411   2HG2  VAL 102          HG22      VAL 102  -7.210   2.960  -2.239
  412   3HG2  VAL 102          HG23      VAL 102  -8.739   3.731  -1.818
  413    H    GLU 103           HN       GLU 103  -6.073   7.858  -4.273
  414    HA   GLU 103           HA       GLU 103  -7.884   8.571  -6.466
  415   1HB   GLU 103           HB2      GLU 103  -6.238  10.400  -6.891
  416   2HB   GLU 103           HB1      GLU 103  -6.924  10.443  -5.267
  417   1HG   GLU 103           HG2      GLU 103  -4.952   9.508  -4.300
  418   2HG   GLU 103           HG1      GLU 103  -4.309   9.054  -5.878
  419    H    LYS 104           HN       LYS 104  -4.835   6.971  -5.858
  420    HA   LYS 104           HA       LYS 104  -4.830   5.851  -8.516
  421   1HB   LYS 104           HB2      LYS 104  -3.722   8.196  -8.671
  422   2HB   LYS 104           HB1      LYS 104  -2.375   7.441  -7.818
  423   1HG   LYS 104           HG2      LYS 104  -2.090   5.801  -9.555
  424   2HG   LYS 104           HG1      LYS 104  -3.590   6.292 -10.342
  425   1HD   LYS 104           HD2      LYS 104  -2.668   8.243 -11.194
  426   2HD   LYS 104           HD1      LYS 104  -1.457   8.351  -9.916
  427   1HE   LYS 104           HE2      LYS 104  -0.478   6.188 -10.932
  428   2HE   LYS 104           HE1      LYS 104  -1.471   6.555 -12.337
  429   1HZ   LYS 104           HZ1      LYS 104   0.896   7.395 -12.345
  430   2HZ   LYS 104           HZ2      LYS 104   0.402   8.530 -11.181
  431   3HZ   LYS 104           HZ3      LYS 104  -0.309   8.527 -12.724
  432    H    VAL 105           HN       VAL 105  -4.069   3.849  -8.367
  433    HA   VAL 105           HA       VAL 105  -2.473   3.130  -5.993
  434    HB   VAL 105           HB       VAL 105  -3.914   1.277  -7.903
  435   1HG1  VAL 105          HG11      VAL 105  -1.926   0.654  -6.192
  436   2HG1  VAL 105          HG12      VAL 105  -3.276  -0.435  -6.509
  437   3HG1  VAL 105          HG13      VAL 105  -3.288   0.590  -5.074
  438   1HG2  VAL 105          HG21      VAL 105  -4.801   2.724  -5.420
  439   2HG2  VAL 105          HG22      VAL 105  -5.452   1.124  -5.774
  440   3HG2  VAL 105          HG23      VAL 105  -5.688   2.444  -6.919
  441    H    LEU 106           HN       LEU 106  -0.359   3.182  -6.370
  442    HA   LEU 106           HA       LEU 106   0.744   2.752  -9.011
  443   1HB   LEU 106           HB2      LEU 106   2.303   2.891  -6.448
  444   2HB   LEU 106           HB1      LEU 106   2.840   3.285  -8.066
  445    HG   LEU 106           HG       LEU 106   0.640   4.898  -6.826
  446   1HD1  LEU 106          HD11      LEU 106   3.610   5.184  -6.276
  447   2HD1  LEU 106          HD12      LEU 106   2.355   4.828  -5.089
  448   3HD1  LEU 106          HD13      LEU 106   2.397   6.402  -5.883
  449   1HD2  LEU 106          HD21      LEU 106   2.957   5.872  -8.479
  450   2HD2  LEU 106          HD22      LEU 106   1.319   6.516  -8.376
  451   3HD2  LEU 106          HD23      LEU 106   1.624   5.022  -9.261
  452    H    VAL 107           HN       VAL 107   0.361   0.941  -6.037
  453    HA   VAL 107           HA       VAL 107   2.095  -1.219  -6.886
  454    HB   VAL 107           HB       VAL 107   1.278  -2.356  -4.840
  455   1HG1  VAL 107          HG11      VAL 107   3.184  -0.853  -4.657
  456   2HG1  VAL 107          HG12      VAL 107   2.164  -0.656  -3.232
  457   3HG1  VAL 107          HG13      VAL 107   2.112   0.541  -4.525
  458   1HG2  VAL 107          HG21      VAL 107  -0.320  -1.313  -3.386
  459   2HG2  VAL 107          HG22      VAL 107  -1.038  -1.289  -4.996
  460   3HG2  VAL 107          HG23      VAL 107  -0.311   0.173  -4.333
  461    H    LYS 108           HN       LYS 108   1.502  -3.190  -7.675
  462    HA   LYS 108           HA       LYS 108  -1.368  -3.606  -8.258
  463   1HB   LYS 108           HB2      LYS 108   0.973  -3.678 -10.113
  464   2HB   LYS 108           HB1      LYS 108  -0.331  -4.839 -10.367
  465   1HG   LYS 108           HG2      LYS 108  -1.943  -2.871 -10.249
  466   2HG   LYS 108           HG1      LYS 108  -0.528  -1.820 -10.331
  467   1HD   LYS 108           HD2      LYS 108   0.082  -2.647 -12.487
  468   2HD   LYS 108           HD1      LYS 108  -1.052  -3.993 -12.368
  469   1HE   LYS 108           HE2      LYS 108  -2.909  -2.270 -12.236
  470   2HE   LYS 108           HE1      LYS 108  -1.708  -1.055 -12.652
  471   1HZ   LYS 108           HZ1      LYS 108  -1.241  -2.711 -14.601
  472   2HZ   LYS 108           HZ2      LYS 108  -2.508  -1.582 -14.699
  473   3HZ   LYS 108           HZ3      LYS 108  -2.836  -3.200 -14.295
  474    H    GLU 109           HN       GLU 109  -1.909  -5.882  -8.686
  475    HA   GLU 109           HA       GLU 109  -0.951  -7.594  -6.663
  476   1HB   GLU 109           HB2      GLU 109  -2.713  -7.920  -9.050
  477   2HB   GLU 109           HB1      GLU 109  -2.081  -9.377  -8.280
  478   1HG   GLU 109           HG2      GLU 109  -3.037  -8.765  -6.157
  479   2HG   GLU 109           HG1      GLU 109  -3.468  -7.161  -6.752
  480    H    ARG 110           HN       ARG 110   0.408  -9.365  -6.702
  481    HA   ARG 110           HA       ARG 110   2.250 -10.601  -7.306
  482   1HB   ARG 110           HB2      ARG 110   0.913 -10.142  -9.956
  483   2HB   ARG 110           HB1      ARG 110   2.489 -10.931  -9.884
  484   1HG   ARG 110           HG2      ARG 110   0.361 -11.889  -8.017
  485   2HG   ARG 110           HG1      ARG 110   0.234 -12.342  -9.718
  486   1HD   ARG 110           HD2      ARG 110   2.814 -12.911  -9.382
  487   2HD   ARG 110           HD1      ARG 110   2.312 -13.087  -7.704
  488    HE   ARG 110           HE       ARG 110   0.763 -14.827  -8.445
  489   1HH1  ARG 110          HH11      ARG 110   1.320 -13.677 -11.403
  490   2HH1  ARG 110          HH12      ARG 110   2.031 -15.094 -12.100
  491   1HH2  ARG 110          HH21      ARG 110   2.466 -16.695  -9.055
  492   2HH2  ARG 110          HH22      ARG 110   2.679 -16.803 -10.770
  493    H    ASP 111           HN       ASP 111   2.479  -7.733  -6.922
  494    HA   ASP 111           HA       ASP 111   4.802  -7.173  -8.671
  495   1HB   ASP 111           HB2      ASP 111   2.654  -5.632  -8.675
  496   2HB   ASP 111           HB1      ASP 111   3.383  -4.986  -7.204
  497    H    ALA 112           HN       ALA 112   6.658  -6.316  -7.723
  498    HA   ALA 112           HA       ALA 112   6.955  -6.958  -4.882
  499   1HB   ALA 112           HB1      ALA 112   9.021  -6.144  -6.942
  500   2HB   ALA 112           HB2      ALA 112   8.656  -7.797  -6.446
  501   3HB   ALA 112           HB3      ALA 112   9.364  -6.667  -5.292
  502    H    VAL 113           HN       VAL 113   7.341  -5.499  -3.304
  503    HA   VAL 113           HA       VAL 113   7.492  -2.650  -4.097
  504    HB   VAL 113           HB       VAL 113   6.255  -2.140  -1.995
  505   1HG1  VAL 113          HG11      VAL 113   5.227  -2.669  -4.369
  506   2HG1  VAL 113          HG12      VAL 113   4.168  -2.466  -2.974
  507   3HG1  VAL 113          HG13      VAL 113   4.575  -4.085  -3.543
  508   1HG2  VAL 113          HG21      VAL 113   6.946  -4.552  -1.112
  509   2HG2  VAL 113          HG22      VAL 113   5.416  -5.014  -1.858
  510   3HG2  VAL 113          HG23      VAL 113   5.444  -3.795  -0.583
  511    H    GLN 114           HN       GLN 114   8.158  -1.350  -1.979
  512    HA   GLN 114           HA       GLN 114  10.373  -2.763  -0.637
  513   1HB   GLN 114           HB2      GLN 114  10.521  -0.215  -2.227
  514   2HB   GLN 114           HB1      GLN 114  11.640  -0.511  -0.896
  515   1HG   GLN 114           HG2      GLN 114  12.246  -2.696  -1.958
  516   2HG   GLN 114           HG1      GLN 114  11.228  -2.266  -3.333
  517   1HE2  GLN 114          HE21      GLN 114  12.845  -1.916  -4.924
  518   2HE2  GLN 114          HE22      GLN 114  14.062  -0.743  -4.775
  519    H    GLY 115           HN       GLY 115  10.795  -2.101   1.443
  520   1HA   GLY 115           HA2      GLY 115   8.701  -0.999   2.955
  521   2HA   GLY 115           HA1      GLY 115  10.361  -1.186   3.514
  522    H    GLY 116           HN       GLY 116   7.974   1.019   2.948
  523   1HA   GLY 116           HA2      GLY 116   8.288   3.328   3.546
  524   2HA   GLY 116           HA1      GLY 116   9.919   3.238   2.887
  525    H    GLN 117           HN       GLN 117   8.970   1.749   0.501
  526    HA   GLN 117           HA       GLN 117   8.637   3.889  -1.279
  527   1HB   GLN 117           HB2      GLN 117   9.416   1.568  -1.873
  528   2HB   GLN 117           HB1      GLN 117   7.735   1.045  -1.766
  529   1HG   GLN 117           HG2      GLN 117   7.130   2.772  -3.465
  530   2HG   GLN 117           HG1      GLN 117   8.842   3.167  -3.626
  531   1HE2  GLN 117          HE21      GLN 117   6.398   0.706  -4.319
  532   2HE2  GLN 117          HE22      GLN 117   7.380  -0.233  -5.337
  533    H    GLY 118           HN       GLY 118   6.885   4.782  -2.301
  534   1HA   GLY 118           HA2      GLY 118   4.454   4.970  -0.888
  535   2HA   GLY 118           HA1      GLY 118   4.716   5.523  -2.540
  536    H    LEU 119           HN       LEU 119   2.906   3.506  -0.691
  537    HA   LEU 119           HA       LEU 119   2.689   1.316  -2.610
  538   1HB   LEU 119           HB2      LEU 119   1.270   1.896  -0.016
  539   2HB   LEU 119           HB1      LEU 119   0.914   0.513  -1.025
  540    HG   LEU 119           HG       LEU 119   3.590   1.076   0.275
  541   1HD1  LEU 119          HD11      LEU 119   2.847  -1.070   1.549
  542   2HD1  LEU 119          HD12      LEU 119   1.221  -0.625   1.032
  543   3HD1  LEU 119          HD13      LEU 119   2.157   0.476   2.043
  544   1HD2  LEU 119          HD21      LEU 119   3.987  -1.333  -0.396
  545   2HD2  LEU 119          HD22      LEU 119   3.880  -0.209  -1.751
  546   3HD2  LEU 119          HD23      LEU 119   2.508  -1.243  -1.352
  547    H    ILE 120           HN       ILE 120   0.440   3.654  -1.117
  548    HA   ILE 120           HA       ILE 120  -0.961   3.873  -3.695
  549    HB   ILE 120           HB       ILE 120  -2.421   3.430  -1.080
  550   1HG1  ILE 120          HG12      ILE 120  -2.079   1.518  -3.412
  551   2HG1  ILE 120          HG11      ILE 120  -1.181   1.399  -1.898
  552   1HG2  ILE 120          HG21      ILE 120  -3.223   3.877  -3.948
  553   2HG2  ILE 120          HG22      ILE 120  -3.847   4.651  -2.491
  554   3HG2  ILE 120          HG23      ILE 120  -4.281   2.981  -2.858
  555   1HD1  ILE 120          HD11      ILE 120  -3.010   0.682  -0.709
  556   2HD1  ILE 120          HD12      ILE 120  -3.509   0.104  -2.299
  557   3HD1  ILE 120          HD13      ILE 120  -4.140   1.629  -1.677
  558    H    LYS 121           HN       LYS 121  -2.127   5.805  -3.962
  559    HA   LYS 121           HA       LYS 121  -1.194   7.981  -2.223
  560   1HB   LYS 121           HB2      LYS 121  -1.168   7.881  -4.891
  561   2HB   LYS 121           HB1      LYS 121  -2.800   8.515  -4.675
  562   1HG   LYS 121           HG2      LYS 121  -2.001  10.410  -3.448
  563   2HG   LYS 121           HG1      LYS 121  -0.388   9.713  -3.298
  564   1HD   LYS 121           HD2      LYS 121  -0.558   9.700  -5.966
  565   2HD   LYS 121           HD1      LYS 121  -1.672  11.031  -5.648
  566   1HE   LYS 121           HE2      LYS 121   0.081  12.105  -4.236
  567   2HE   LYS 121           HE1      LYS 121   1.192  10.817  -4.686
  568   1HZ   LYS 121           HZ1      LYS 121   1.595  12.665  -6.092
  569   2HZ   LYS 121           HZ2      LYS 121  -0.052  12.826  -6.477
  570   3HZ   LYS 121           HZ3      LYS 121   0.828  11.483  -7.035
  571    H    ILE 122           HN       ILE 122  -2.492   8.950  -0.811
  572    HA   ILE 122           HA       ILE 122  -5.381   8.339  -0.927
  573    HB   ILE 122           HB       ILE 122  -3.806   9.381   1.436
  574   1HG1  ILE 122          HG12      ILE 122  -2.970   7.154   0.771
  575   2HG1  ILE 122          HG11      ILE 122  -3.875   7.055   2.279
  576   1HG2  ILE 122          HG21      ILE 122  -5.763   8.746   2.715
  577   2HG2  ILE 122          HG22      ILE 122  -6.511   8.023   1.291
  578   3HG2  ILE 122          HG23      ILE 122  -6.287   9.770   1.378
  579   1HD1  ILE 122          HD11      ILE 122  -4.893   6.332  -0.487
  580   2HD1  ILE 122          HD12      ILE 122  -5.892   6.355   0.966
  581   3HD1  ILE 122          HD13      ILE 122  -4.553   5.215   0.834
  582    H    GLY 123           HN       GLY 123  -6.899   9.967  -0.752
  583   1HA   GLY 123           HA2      GLY 123  -6.308  12.693  -0.229
  584   2HA   GLY 123           HA1      GLY 123  -6.369  12.423  -1.969