*HEADER    DNA BINDING PROTEIN                     22-JUN-18   6GW7              
*TITLE     THE CTD OF HPDPRA, A DNA BINDING WINGED HELIX DOMAIN WHICH DO NOT BIND
*TITLE    2 DSDNA                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA PROTECTING PROTEIN DPRA;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI;                            
*SOURCE   3 ORGANISM_COMMON: CAMPYLOBACTER PYLORI;                               
*SOURCE   4 ORGANISM_TAXID: 210;                                                 
*SOURCE   5 GENE: BB415_01075;                                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG';        
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 866768                                      
*KEYWDS    WINGED HELIX, DNA BINDING PROTEIN, DPRA, HELICOBACTER PYLORI          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.LISBOA,L.CELMA,D.SANCHEZ,M.MARQUIS,J.ANDREANI,R.GUEROIS,            
*AUTHOR   2 F.OCHSENBEIN,D.DURAND,S.MARSIN,P.CUNIASSE,J.P.RADICELLA,S.QUEVILLON- 
*AUTHOR   3 CHERUEL                                                              
*REVDAT   1   24-APR-19 6GW7    0                                                
# Restraints file 1: dpra_noe_restraints.tbl
! Distance constraint file from UNIO
! UNIO version 2.0.3
! File format   : cns
! File generated: 2015 April  6th, 16:55:40

assign    resid   26 and name HB2       resid   28 and name HG1       4.63  2.83  0.00 ! #SUP  2.09
assign    resid   25 and name HB2       resid   26 and name HB2       3.58  1.78  0.00 ! #SUP  3.50
assign    resid   21 and name HA        resid   24 and name HA        4.77  2.97  0.00 ! #SUP  0.76
assign    resid   20 and name HB2       resid   21 and name HA        3.86  2.06  0.00 ! #SUP  2.89
assign    resid   21 and name HA        resid   56 and name HD2*      4.27  2.47  0.00 ! #SUP  5.26
assign    resid   25 and name HA        resid   54 and name HG*       5.50  3.70  0.00 ! #SUP  1.34
assign    resid   25 and name HA        resid   53 and name HD1*      5.50  3.70  0.00 ! #SUP  3.21
assign    resid   27 and name HA        resid   27 and name HD*       3.73  1.93  0.00 ! #SUP  5.15
assign    resid   27 and name HA        resid   30 and name HB*       3.69  1.89  0.00 ! #SUP  3.50
assign    resid   27 and name HA        resid   54 and name HG*       3.38  1.58  0.00 ! #SUP  2.08
assign    resid   26 and name HA        resid   27 and name HA        5.21  3.41  0.00 ! #SUP  3.35
assign    resid   41 and name HA        resid   41 and name HD*       3.73  1.93  0.00 ! #SUP  4.89
assign    resid   41 and name HA        resid   44 and name HD2*      3.82  2.02  0.00 ! #SUP  3.62
assign    resid   41 and name HA        resid   44 and name HB2       4.29  2.49  0.00 ! #SUP  3.39
assign    resid   27 and name HE*       resid   54 and name HA        5.20  3.40  0.00 ! #SUP  0.75
assign    resid   54 and name HA        resid   54 and name HG*       3.44  1.64  0.00 ! #SUP  2.61
assign    resid   41 and name HA        resid   44 and name HB1       3.28  1.48  0.00 ! #SUP  2.90
assign    resid   31 and name HA        resid   38 and name HB1       3.84  2.04  0.00 ! #SUP  5.29
assign    resid   31 and name HA        resid   38 and name HD2*      3.65  1.85  0.00 ! #SUP  8.45
assign    resid   27 and name HD*       resid   28 and name HA        4.05  2.25  0.00 ! #SUP  4.85
assign    resid   31 and name HA        resid   35 and name HA2       5.28  3.48  0.00 ! #SUP  3.22
assign    resid   27 and name HB1       resid   53 and name HA        5.12  3.32  0.00 ! #SUP  5.29
assign    resid   28 and name HA        resid   28 and name HB1       3.04  1.24  0.00 ! #SUP  3.29
assign    resid   17 and name HA        resid   20 and name HD*       4.89  3.09  0.00 ! #SUP  2.69
assign    resid   17 and name HA        resid   34 and name HE*       4.75  2.95  0.00 ! #SUP  2.75
assign    resid   53 and name HA        resid   54 and name HA        4.53  2.73  0.00 ! #SUP  4.56
assign    resid   53 and name HA        resid   54 and name HG*       5.27  3.47  0.00 ! #SUP  3.42
assign    resid   53 and name HA        resid   53 and name HG2*      3.49  1.69  0.00 ! #SUP  4.66
assign    resid   42 and name HA        resid   42 and name HB2       2.99  1.19  0.00 ! #SUP  4.23
assign    resid   42 and name HA        resid   47 and name HG12      3.57  1.77  0.00 ! #SUP  5.47
assign    resid   42 and name HA        resid   47 and name HD1*      4.25  2.45  0.00 ! #SUP  7.76
assign    resid   42 and name HA        resid   47 and name HG11      3.56  1.76  0.00 ! #SUP  3.78
assign    resid   50 and name HA        resid   50 and name HG12      3.80  2.00  0.00 ! #SUP  4.61
assign    resid   50 and name HA        resid   50 and name HG11      3.49  1.69  0.00 ! #SUP  4.43
assign    resid   50 and name HA        resid   50 and name HG2*      3.23  1.43  0.00 ! #SUP  6.12
assign    resid   41 and name HB2       resid   42 and name HA        5.00  3.20  0.00 ! #SUP  3.14
assign    resid   16 and name HA        resid   16 and name HG1       3.44  1.64  0.00 ! #SUP  1.31
assign    resid   16 and name HA        resid   16 and name HB2       2.64  0.84  0.00 ! #SUP  2.95
assign    resid   40 and name HA        resid   41 and name HD*       4.96  3.16  0.00 ! #SUP  5.34
assign    resid   40 and name HA        resid   40 and name HB2       2.65  0.85  0.00 ! #SUP  4.24
assign    resid   29 and name HA        resid   32 and name HB2       3.41  1.61  0.00 ! #SUP  0.60
assign    resid   29 and name HA        resid   33 and name HB2       5.00  3.20  0.00 ! #SUP  1.45
assign    resid   37 and name HA        resid   37 and name HG1       3.13  1.33  0.00 ! #SUP  6.60
assign    resid   19 and name HA        resid   19 and name HG1       3.60  1.80  0.00 ! #SUP  2.49
assign    resid   19 and name HA        resid   19 and name HB*       2.88  1.08  0.00 ! #SUP  4.50
assign    resid   47 and name HA        resid   57 and name HA        5.09  3.29  0.00 ! #SUP  3.20
assign    resid   55 and name HA        resid   55 and name HG1*      3.41  1.61  0.00 ! #SUP  3.14
assign    resid   34 and name HA        resid   34 and name HD*       3.22  1.42  0.00 ! #SUP  6.37
assign    resid   37 and name HA        resid   37 and name HB1       2.95  1.15  0.00 ! #SUP  6.90
assign    resid   38 and name HA        resid   41 and name HB1       3.94  2.14  0.00 ! #SUP  1.14
assign    resid   38 and name HA        resid   47 and name HD1*      4.00  2.20  0.00 ! #SUP  0.75
assign    resid   38 and name HA        resid   38 and name HD1*      3.52  1.72  0.00 ! #SUP  5.19
assign    resid   33 and name HA        resid   33 and name HB2       3.01  1.21  0.00 ! #SUP  7.88
assign    resid   33 and name HA        resid   33 and name HG2       3.38  1.58  0.00 ! #SUP  6.76
assign    resid   33 and name HA        resid   33 and name HG1       3.74  1.94  0.00 ! #SUP  7.74
assign    resid   47 and name HA        resid   56 and name HA        3.24  1.44  0.00 ! #SUP  7.29
assign    resid   47 and name HA        resid   47 and name HG2*      3.21  1.41  0.00 ! #SUP  6.12
assign    resid   47 and name HA        resid   57 and name HB*       4.03  2.23  0.00 ! #SUP  4.12
assign    resid   26 and name HA        resid   53 and name HG2*      3.57  1.77  0.00 ! #SUP  2.63
assign    resid   33 and name HD1       resid   34 and name HA        4.60  2.80  0.00 ! #SUP  6.86
assign    resid   34 and name HA        resid   34 and name HE*       5.18  3.38  0.00 ! #SUP  6.31
assign    resid   34 and name HA        resid   37 and name HB1       4.98  3.18  0.00 ! #SUP  2.14
assign    resid    5 and name HA        resid    5 and name HB2       2.93  1.13  0.00 ! #SUP  2.29
assign    resid    3 and name HD*       resid    5 and name HA        5.36  3.56  0.00 ! #SUP  1.22
assign    resid   43 and name HA        resid   43 and name HD*       3.00  1.20  0.00 ! #SUP  4.81
assign    resid   17 and name HD*       resid   18 and name HA        4.78  2.98  0.00 ! #SUP  5.40
assign    resid   18 and name HA        resid   21 and name HB2       3.56  1.76  0.00 ! #SUP  3.60
assign    resid   46 and name HA        resid   46 and name HE*       4.30  2.50  0.00 ! #SUP  5.74
assign    resid   46 and name HA        resid   46 and name HG2       3.20  1.40  0.00 ! #SUP  4.55
assign    resid   46 and name HA        resid   46 and name HB2       2.95  1.15  0.00 ! #SUP  6.45
assign    resid   39 and name HA        resid   42 and name HB1       3.33  1.53  0.00 ! #SUP  1.81
assign    resid   39 and name HA        resid   39 and name HB1       2.96  1.16  0.00 ! #SUP  6.51
assign    resid   39 and name HA        resid   39 and name HD1*      3.81  2.01  0.00 ! #SUP  4.73
assign    resid   39 and name HA        resid   39 and name HD2*      3.32  1.52  0.00 ! #SUP  5.90
assign    resid   14 and name HA        resid   15 and name HA        4.81  3.01  0.00 ! #SUP  2.58
assign    resid   14 and name HA        resid   17 and name HA        5.16  3.36  0.00 ! #SUP  2.25
assign    resid   14 and name HA        resid   17 and name HB2       4.25  2.45  0.00 ! #SUP  1.74
assign    resid   14 and name HA        resid   14 and name HB1       2.89  1.09  0.00 ! #SUP  4.02
assign    resid   32 and name HA        resid   32 and name HD*       2.96  1.16  0.00 ! #SUP  4.74
assign    resid   31 and name HD*       resid   32 and name HA        4.94  3.14  0.00 ! #SUP  4.82
assign    resid   36 and name HA        resid   39 and name HB2       3.60  1.80  0.00 ! #SUP  4.72
assign    resid   36 and name HA        resid   39 and name HG        3.73  1.93  0.00 ! #SUP  6.63
assign    resid   36 and name HA        resid   39 and name HD1*      3.68  1.88  0.00 ! #SUP  3.69
assign    resid   36 and name HA        resid   39 and name HD2*      4.56  2.76  0.00 ! #SUP  4.64
assign    resid    3 and name HA        resid    3 and name HE*       4.58  2.78  0.00 ! #SUP  4.29
assign    resid    9 and name HA        resid    9 and name HB2       2.77  0.97  0.00 ! #SUP  4.19
assign    resid    9 and name HA        resid    9 and name HG*       3.34  1.54  0.00 ! #SUP  4.34
assign    resid    3 and name HA        resid    3 and name HG*       3.54  1.74  0.00 ! #SUP  5.00
assign    resid    6 and name HA        resid    6 and name HB2       2.93  1.13  0.00 ! #SUP  2.81
assign    resid   13 and name HA        resid   13 and name HG1       3.48  1.68  0.00 ! #SUP  3.12
assign    resid   13 and name HA        resid   13 and name HB*       2.69  0.89  0.00 ! #SUP  4.92
assign    resid   13 and name HA        resid   14 and name HG*       4.13  2.33  0.00 ! #SUP  4.83
assign    resid   23 and name HA        resid   23 and name HG1       3.26  1.46  0.00 ! #SUP  3.71
assign    resid   49 and name HA        resid   54 and name HA        3.38  1.58  0.00 ! #SUP  3.25
assign    resid   15 and name HA        resid   18 and name HD1*      4.07  2.27  0.00 ! #SUP  6.74
assign    resid   15 and name HA        resid   18 and name HB2       4.06  2.26  0.00 ! #SUP  5.01
assign    resid   30 and name HA        resid   33 and name HB1       3.98  2.18  0.00 ! #SUP  6.53
assign    resid    2 and name HA        resid    2 and name HG        2.99  1.19  0.00 ! #SUP  2.82
assign    resid   56 and name HA        resid   56 and name HB*       2.99  1.19  0.00 ! #SUP  3.22
assign    resid   44 and name HA        resid   44 and name HB1       2.91  1.11  0.00 ! #SUP  5.88
assign    resid    7 and name HA        resid    7 and name HB*       2.91  1.11  0.00 ! #SUP  3.45
assign    resid    6 and name HB1       resid    7 and name HA        4.51  2.71  0.00 ! #SUP  2.15
assign    resid   27 and name HD*       resid   49 and name HA        5.34  3.54  0.00 ! #SUP  1.50
assign    resid   49 and name HA        resid   54 and name HG*       4.33  2.53  0.00 ! #SUP  2.96
assign    resid   49 and name HA        resid   49 and name HG*       3.45  1.65  0.00 ! #SUP  4.31
assign    resid   42 and name HG1       resid   48 and name HA        4.97  3.17  0.00 ! #SUP  2.21
assign    resid   30 and name HA        resid   34 and name HE*       3.32  1.52  0.00 ! #SUP  5.61
assign    resid   30 and name HA        resid   33 and name HB2       4.03  2.23  0.00 ! #SUP  5.68
assign    resid   44 and name HA        resid   44 and name HD2*      3.95  2.15  0.00 ! #SUP  5.98
assign    resid    1 and name HA        resid    1 and name HG*       4.28  2.48  0.00 ! #SUP  1.74
assign    resid   48 and name HA        resid   48 and name HG2       4.24  2.44  0.00 ! #SUP  4.59
assign    resid   23 and name HB1       resid   24 and name HA        5.12  3.32  0.00 ! #SUP  4.91
assign    resid    9 and name HA        resid   10 and name HA        4.72  2.92  0.00 ! #SUP  5.56
assign    resid    4 and name HA        resid    7 and name HD1*      5.50  3.70  0.00 ! #SUP  2.11
assign    resid    4 and name HA        resid    4 and name HB*       3.01  1.21  0.00 ! #SUP  2.21
assign    resid    4 and name HA        resid    5 and name HD*       4.80  3.00  0.00 ! #SUP  3.27
assign    resid   22 and name HA        resid   56 and name HD2*      3.40  1.60  0.00 ! #SUP  3.99
assign    resid   24 and name HA        resid   53 and name HD1*      4.49  2.69  0.00 ! #SUP  5.52
assign    resid    9 and name HG*       resid   10 and name HA        4.98  3.18  0.00 ! #SUP  5.35
assign    resid   10 and name HA        resid   11 and name HD2       2.80  1.00  0.00 ! #SUP  7.76
assign    resid   10 and name HA        resid   10 and name HB2       3.02  1.22  0.00 ! #SUP  6.90
assign    resid   10 and name HA        resid   10 and name HG1       3.58  1.78  0.00 ! #SUP  7.16
assign    resid   24 and name HA        resid   25 and name HD1       3.75  1.95  0.00 ! #SUP  6.46
assign    resid   25 and name HD1       resid   53 and name HD1*      5.50  3.70  0.00 ! #SUP  3.21
assign    resid   10 and name HG1       resid   11 and name HD2       5.17  3.37  0.00 ! #SUP  5.56
assign    resid   10 and name HA        resid   11 and name HD1       3.00  1.20  0.00 ! #SUP  7.91
assign    resid   10 and name HG1       resid   11 and name HD1       5.50  3.70  0.00 ! #SUP  5.49
assign    resid   24 and name HB1       resid   25 and name HD1       5.42  3.62  0.00 ! #SUP  4.98
assign    resid   32 and name HD*       resid   35 and name HA2       5.50  3.70  0.00 ! #SUP  1.75
assign    resid   31 and name HD*       resid   35 and name HA2       5.19  3.39  0.00 ! #SUP  4.80
assign    resid   31 and name HE*       resid   35 and name HA2       5.27  3.47  0.00 ! #SUP  4.35
assign    resid   35 and name HA2       resid   36 and name HA        5.24  3.44  0.00 ! #SUP  3.20
assign    resid   35 and name HA1       resid   36 and name HA        5.39  3.59  0.00 ! #SUP  3.33
assign    resid   31 and name HD*       resid   35 and name HA1       5.02  3.22  0.00 ! #SUP  2.95
assign    resid   31 and name HE*       resid   35 and name HA1       4.75  2.95  0.00 ! #SUP  2.96
assign    resid   45 and name HA2       resid   57 and name HB*       5.50  3.70  0.00 ! #SUP  0.99
assign    resid   45 and name HA1       resid   57 and name HB*       5.50  3.70  0.00 ! #SUP  0.99
assign    resid   27 and name HE*       resid   49 and name HD*       4.83  3.03  0.00 ! #SUP  0.75
assign    resid   49 and name HA        resid   49 and name HD*       4.86  3.06  0.00 ! #SUP  3.62
assign    resid   49 and name HD*       resid   54 and name HA        5.50  3.70  0.00 ! #SUP  1.74
assign    resid   31 and name HA        resid   38 and name HB2       3.49  1.69  0.00 ! #SUP  6.19
assign    resid   31 and name HB1       resid   38 and name HB2       4.42  2.62  0.00 ! #SUP  5.76
assign    resid   48 and name HE*       resid   57 and name HA        4.23  2.43  0.00 ! #SUP  1.27
assign    resid   48 and name HE*       resid   55 and name HG2*      3.78  1.98  0.00 ! #SUP  3.70
assign    resid   38 and name HB2       resid   38 and name HD1*      4.06  2.26  0.00 ! #SUP  3.61
assign    resid   47 and name HB        resid   56 and name HA        4.25  2.45  0.00 ! #SUP  4.21
assign    resid    5 and name HB2       resid    7 and name HB*       4.03  2.23  0.00 ! #SUP  2.74
assign    resid   31 and name HB1       resid   38 and name HB1       4.16  2.36  0.00 ! #SUP  4.75
assign    resid   38 and name HB1       resid   38 and name HD2*      3.79  1.99  0.00 ! #SUP  5.51
assign    resid    3 and name HG*       resid    3 and name HE*       3.85  2.05  0.00 ! #SUP  4.35
assign    resid   23 and name HB1       resid   23 and name HE*       2.80  1.00  0.00 ! #SUP  4.66
assign    resid    8 and name HG2       resid    8 and name HE*       3.57  1.77  0.00 ! #SUP  1.47
assign    resid   48 and name HB1       resid   48 and name HE*       3.00  1.20  0.00 ! #SUP  4.85
assign    resid   48 and name HG2       resid   48 and name HE*       3.71  1.91  0.00 ! #SUP  4.98
assign    resid   46 and name HD*       resid   46 and name HE*       3.04  1.24  0.00 ! #SUP  4.56
assign    resid   41 and name HE*       resid   46 and name HE*       4.39  2.59  0.00 ! #SUP  0.47
assign    resid   37 and name HA        resid   37 and name HE1       5.48  3.68  0.00 ! #SUP  4.68
assign    resid   33 and name HG1       resid   33 and name HE2       4.21  2.41  0.00 ! #SUP  7.74
assign    resid   33 and name HD1       resid   34 and name HB1       4.84  3.04  0.00 ! #SUP  5.65
assign    resid   40 and name HA        resid   43 and name HB2       3.76  1.96  0.00 ! #SUP  1.99
assign    resid   43 and name HB2       resid   43 and name HD*       3.18  1.38  0.00 ! #SUP  4.42
assign    resid   32 and name HB2       resid   32 and name HD*       3.23  1.43  0.00 ! #SUP  3.94
assign    resid   40 and name HA        resid   43 and name HB1       4.21  2.41  0.00 ! #SUP  1.93
assign    resid   43 and name HB1       resid   43 and name HD*       3.18  1.38  0.00 ! #SUP  4.67
assign    resid   15 and name HB2       resid   18 and name HD1*      4.39  2.59  0.00 ! #SUP  5.54
assign    resid   37 and name HG1       resid   37 and name HE2       4.09  2.29  0.00 ! #SUP  4.87
assign    resid   33 and name HE2       resid   34 and name HE*       4.42  2.62  0.00 ! #SUP  6.94
assign    resid   15 and name HA        resid   15 and name HB1       3.01  1.21  0.00 ! #SUP  3.23
assign    resid   31 and name HA        resid   34 and name HB1       5.09  3.29  0.00 ! #SUP  2.55
assign    resid   17 and name HE*       resid   34 and name HB1       4.49  2.69  0.00 ! #SUP  0.75
assign    resid   33 and name HG1       resid   33 and name HE1       3.98  2.18  0.00 ! #SUP  6.73
assign    resid   27 and name HB1       resid   53 and name HB        4.87  3.07  0.00 ! #SUP  4.13
assign    resid   36 and name HA        resid   39 and name HB1       4.54  2.74  0.00 ! #SUP  4.72
assign    resid   39 and name HB1       resid   40 and name HA        4.84  3.04  0.00 ! #SUP  3.51
assign    resid   39 and name HB1       resid   39 and name HD1*      3.84  2.04  0.00 ! #SUP  5.05
assign    resid   39 and name HB1       resid   39 and name HD2*      3.69  1.89  0.00 ! #SUP  5.35
assign    resid   15 and name HA        resid   18 and name HB1       4.92  3.12  0.00 ! #SUP  5.05
assign    resid   36 and name HB2       resid   37 and name HN        4.39  2.59  0.00 ! #SUP  3.90
assign    resid   15 and name HB2       resid   18 and name HB2       4.62  2.82  0.00 ! #SUP  3.38
assign    resid   18 and name HB2       resid   18 and name HD1*      4.02  2.22  0.00 ! #SUP  5.92
assign    resid   15 and name HB2       resid   18 and name HB1       4.54  2.74  0.00 ! #SUP  3.45
assign    resid   18 and name HB1       resid   18 and name HD1*      4.25  2.45  0.00 ! #SUP  6.16
assign    resid   36 and name HA        resid   36 and name HB2       3.03  1.23  0.00 ! #SUP  3.62
assign    resid   17 and name HD*       resid   20 and name HB2       5.19  3.39  0.00 ! #SUP  2.00
assign    resid   17 and name HA        resid   20 and name HB2       4.02  2.22  0.00 ! #SUP  3.92
assign    resid   20 and name HB1       resid   30 and name HB*       5.50  3.70  0.00 ! #SUP  1.05
assign    resid   27 and name HB2       resid   54 and name HG*       4.33  2.53  0.00 ! #SUP  3.43
assign    resid   27 and name HB1       resid   54 and name HA        5.30  3.50  0.00 ! #SUP  4.24
assign    resid   31 and name HB1       resid   38 and name HD1*      4.02  2.22  0.00 ! #SUP  7.82
assign    resid   20 and name HB2       resid   34 and name HE*       4.27  2.47  0.00 ! #SUP  1.87
assign    resid   20 and name HB2       resid   34 and name HZ        4.73  2.93  0.00 ! #SUP  2.00
assign    resid   17 and name HE*       resid   41 and name HB1       4.47  2.67  0.00 ! #SUP  0.75
assign    resid   41 and name HB1       resid   46 and name HB2       5.10  3.30  0.00 ! #SUP  4.00
assign    resid   41 and name HB1       resid   46 and name HB1       4.41  2.61  0.00 ! #SUP  5.40
assign    resid   41 and name HB1       resid   47 and name HG12      5.10  3.30  0.00 ! #SUP  4.60
assign    resid   41 and name HB1       resid   47 and name HG2*      4.00  2.20  0.00 ! #SUP  7.96
assign    resid   20 and name HB1       resid   34 and name HE*       4.74  2.94  0.00 ! #SUP  1.83
assign    resid   17 and name HD*       resid   20 and name HB1       5.30  3.50  0.00 ! #SUP  2.00
assign    resid   17 and name HA        resid   20 and name HB1       3.88  2.08  0.00 ! #SUP  4.59
assign    resid   31 and name HB2       resid   38 and name HB2       4.79  2.99  0.00 ! #SUP  4.59
assign    resid   31 and name HB2       resid   32 and name HG        4.30  2.50  0.00 ! #SUP  5.42
assign    resid   50 and name HG2*      resid   51 and name HB2       4.29  2.49  0.00 ! #SUP  4.02
assign    resid   24 and name HB2       resid   53 and name HG1*      4.78  2.98  0.00 ! #SUP  1.10
assign    resid   28 and name HA        resid   28 and name HG2       3.70  1.90  0.00 ! #SUP  2.29
assign    resid   27 and name HD*       resid   28 and name HG2       4.76  2.96  0.00 ! #SUP  3.92
assign    resid   26 and name HB1       resid   28 and name HG1       3.77  1.97  0.00 ! #SUP  4.59
assign    resid   27 and name HD*       resid   28 and name HG1       4.51  2.71  0.00 ! #SUP  5.29
assign    resid   37 and name HA        resid   40 and name HG*       3.19  1.39  0.00 ! #SUP  2.47
assign    resid   42 and name HG1       resid   47 and name HD1*      5.50  3.70  0.00 ! #SUP  4.49
assign    resid   42 and name HA        resid   42 and name HG1       3.89  2.09  0.00 ! #SUP  3.17
assign    resid   14 and name HG*       resid   18 and name HD1*      4.22  2.42  0.00 ! #SUP  1.74
assign    resid   12 and name HA        resid   12 and name HG*       3.14  1.34  0.00 ! #SUP  1.94
assign    resid   48 and name HB2       resid   48 and name HE*       5.03  3.23  0.00 ! #SUP  5.02
assign    resid   19 and name HA        resid   19 and name HG2       3.80  2.00  0.00 ! #SUP  3.43
assign    resid   29 and name HA        resid   29 and name HG1       3.37  1.57  0.00 ! #SUP  2.61
assign    resid   29 and name HG1       resid   32 and name HD*       4.57  2.77  0.00 ! #SUP  2.34
assign    resid   14 and name HG*       resid   15 and name HB2       4.40  2.60  0.00 ! #SUP  2.69
assign    resid   29 and name HA        resid   29 and name HG2       3.62  1.82  0.00 ! #SUP  2.49
assign    resid   46 and name HB2       resid   46 and name HE*       4.19  2.39  0.00 ! #SUP  6.29
assign    resid   41 and name HD*       resid   46 and name HB2       4.18  2.38  0.00 ! #SUP  6.35
assign    resid   41 and name HD*       resid   46 and name HB1       4.21  2.41  0.00 ! #SUP  7.71
assign    resid   46 and name HB1       resid   46 and name HE*       3.99  2.19  0.00 ! #SUP  6.63
assign    resid   18 and name HD2*      resid   46 and name HB1       5.18  3.38  0.00 ! #SUP  1.03
assign    resid   46 and name HB1       resid   47 and name HG2*      4.72  2.92  0.00 ! #SUP  4.32
assign    resid   33 and name HB2       resid   34 and name HD*       4.34  2.54  0.00 ! #SUP  8.60
assign    resid   33 and name HB1       resid   34 and name HD*       4.14  2.34  0.00 ! #SUP  7.56
assign    resid   33 and name HB1       resid   33 and name HE1       5.50  3.70  0.00 ! #SUP  6.47
assign    resid   24 and name HA        resid   54 and name HB        4.93  3.13  0.00 ! #SUP  0.67
assign    resid   27 and name HD*       resid   54 and name HB        4.72  2.92  0.00 ! #SUP  0.75
assign    resid   33 and name HB2       resid   34 and name HE*       4.67  2.87  0.00 ! #SUP  8.65
assign    resid   33 and name HB2       resid   33 and name HE2       5.08  3.28  0.00 ! #SUP  7.46
assign    resid   33 and name HB1       resid   33 and name HD1       3.93  2.13  0.00 ! #SUP  8.62
assign    resid   33 and name HB1       resid   34 and name HE*       4.69  2.89  0.00 ! #SUP  8.02
assign    resid   12 and name HN        resid   13 and name HB*       5.04  3.24  0.00 ! #SUP  2.94
assign    resid    3 and name HB2       resid    3 and name HE*       4.60  2.80  0.00 ! #SUP  3.85
assign    resid    3 and name HB1       resid    3 and name HE*       4.48  2.68  0.00 ! #SUP  4.23
assign    resid   13 and name HA        resid   13 and name HG2       3.88  2.08  0.00 ! #SUP  3.46
assign    resid    1 and name HB*       resid    2 and name HD1*      5.31  3.51  0.00 ! #SUP  1.88
assign    resid    9 and name HA        resid   10 and name HB2       5.03  3.23  0.00 ! #SUP  3.94
assign    resid   34 and name HD*       resid   37 and name HB2       5.11  3.31  0.00 ! #SUP  2.93
assign    resid   34 and name HB2       resid   37 and name HB1       4.20  2.40  0.00 ! #SUP  2.96
assign    resid   34 and name HD*       resid   37 and name HB1       5.29  3.49  0.00 ! #SUP  3.97
assign    resid   37 and name HB1       resid   37 and name HE2       4.64  2.84  0.00 ! #SUP  5.56
assign    resid   34 and name HB2       resid   37 and name HB2       3.91  2.11  0.00 ! #SUP  2.00
assign    resid   27 and name HD*       resid   49 and name HB2       4.73  2.93  0.00 ! #SUP  2.96
assign    resid   49 and name HB2       resid   54 and name HG*       5.49  3.69  0.00 ! #SUP  1.50
assign    resid   49 and name HB1       resid   49 and name HD*       4.13  2.33  0.00 ! #SUP  3.31
assign    resid   27 and name HE*       resid   49 and name HB2       4.60  2.80  0.00 ! #SUP  2.00
assign    resid   49 and name HB2       resid   49 and name HD*       3.83  2.03  0.00 ! #SUP  3.31
assign    resid    1 and name HG*       resid    2 and name HD1*      5.50  3.70  0.00 ! #SUP  2.47
assign    resid   42 and name HB2       resid   47 and name HG12      4.47  2.67  0.00 ! #SUP  3.41
assign    resid   39 and name HA        resid   42 and name HB2       3.93  2.13  0.00 ! #SUP  1.07
assign    resid    9 and name HB2       resid   10 and name HA        5.01  3.21  0.00 ! #SUP  3.84
assign    resid   42 and name HB1       resid   43 and name HD*       4.65  2.85  0.00 ! #SUP  3.90
assign    resid   28 and name HB2       resid   32 and name HD*       3.63  1.83  0.00 ! #SUP  2.80
assign    resid   19 and name HB*       resid   19 and name HG1       2.59  0.79  0.00 ! #SUP  2.93
assign    resid   28 and name HB1       resid   32 and name HD*       4.62  2.82  0.00 ! #SUP  3.20
assign    resid   40 and name HB1       resid   41 and name HN        5.18  3.38  0.00 ! #SUP  3.80
assign    resid   28 and name HB1       resid   29 and name HN        4.93  3.13  0.00 ! #SUP  4.31
assign    resid    3 and name HA        resid    3 and name HD*       3.79  1.99  0.00 ! #SUP  5.26
assign    resid   41 and name HA        resid   44 and name HG        4.07  2.27  0.00 ! #SUP  2.61
assign    resid   48 and name HB1       resid   48 and name HD*       3.37  1.57  0.00 ! #SUP  2.71
assign    resid   17 and name HD*       resid   37 and name HD*       5.47  3.67  0.00 ! #SUP  1.90
assign    resid   33 and name HA        resid   33 and name HD2       4.91  3.11  0.00 ! #SUP  7.02
assign    resid   34 and name HD*       resid   37 and name HD*       4.83  3.03  0.00 ! #SUP  1.39
assign    resid   37 and name HA        resid   37 and name HD*       4.69  2.89  0.00 ! #SUP  5.42
assign    resid   33 and name HD2       resid   34 and name HE*       4.90  3.10  0.00 ! #SUP  7.63
assign    resid   33 and name HB2       resid   33 and name HD2       3.31  1.51  0.00 ! #SUP  8.42
assign    resid   33 and name HA        resid   33 and name HD1       4.40  2.60  0.00 ! #SUP  8.10
assign    resid   33 and name HD1       resid   34 and name HN        4.13  2.33  0.00 ! #SUP  9.97
assign    resid   33 and name HB2       resid   33 and name HD1       3.58  1.78  0.00 ! #SUP  9.58
assign    resid   22 and name HA        resid   56 and name HG        4.35  2.55  0.00 ! #SUP  1.92
assign    resid   47 and name HA        resid   56 and name HG        5.50  3.70  0.00 ! #SUP  2.22
assign    resid   10 and name HA        resid   11 and name HG1       4.46  2.66  0.00 ! #SUP  6.00
assign    resid   36 and name HB1       resid   39 and name HG        5.34  3.54  0.00 ! #SUP  1.16
assign    resid   38 and name HA        resid   38 and name HG        3.83  2.03  0.00 ! #SUP  4.37
assign    resid   21 and name HB1       resid   56 and name HG        4.44  2.64  0.00 ! #SUP  4.68
assign    resid   43 and name HA        resid   43 and name HG        4.11  2.31  0.00 ! #SUP  4.36
assign    resid   31 and name HB1       resid   32 and name HG        5.49  3.69  0.00 ! #SUP  5.45
assign    resid   31 and name HD*       resid   32 and name HG        5.38  3.58  0.00 ! #SUP  5.81
assign    resid    7 and name HA        resid    7 and name HG        3.91  2.11  0.00 ! #SUP  2.40
assign    resid   49 and name HG*       resid   54 and name HA        4.51  2.71  0.00 ! #SUP  4.31
assign    resid   21 and name HB2       resid   56 and name HG        4.55  2.75  0.00 ! #SUP  3.68
assign    resid   21 and name HB2       resid   56 and name HD2*      3.55  1.75  0.00 ! #SUP  6.20
assign    resid   21 and name HB1       resid   56 and name HA        4.77  2.97  0.00 ! #SUP  1.77
assign    resid   21 and name HB1       resid   56 and name HD2*      3.57  1.77  0.00 ! #SUP  7.48
assign    resid   41 and name HD*       resid   46 and name HG2       5.44  3.64  0.00 ! #SUP  3.45
assign    resid   46 and name HG2       resid   46 and name HE*       3.83  2.03  0.00 ! #SUP  4.99
assign    resid   46 and name HA        resid   46 and name HG1       3.84  2.04  0.00 ! #SUP  5.14
assign    resid   41 and name HD*       resid   46 and name HG1       5.50  3.70  0.00 ! #SUP  4.40
assign    resid   46 and name HG1       resid   46 and name HE*       3.70  1.90  0.00 ! #SUP  5.60
assign    resid   18 and name HA        resid   18 and name HD1*      4.19  2.39  0.00 ! #SUP  6.52
assign    resid   18 and name HD1*      resid   41 and name HE*       4.58  2.78  0.00 ! #SUP  1.83
assign    resid   31 and name HD*       resid   38 and name HD2*      4.42  2.62  0.00 ! #SUP  7.33
assign    resid   38 and name HA        resid   38 and name HD2*      3.41  1.61  0.00 ! #SUP  5.73
assign    resid   31 and name HB1       resid   38 and name HD2*      3.60  1.80  0.00 ! #SUP  7.83
assign    resid   31 and name HB2       resid   38 and name HD2*      3.49  1.69  0.00 ! #SUP  6.56
assign    resid   38 and name HB2       resid   38 and name HD2*      3.38  1.58  0.00 ! #SUP  5.18
assign    resid   31 and name HA        resid   38 and name HD1*      3.10  1.30  0.00 ! #SUP  7.83
assign    resid   56 and name HB*       resid   56 and name HD2*      2.93  1.13  0.00 ! #SUP  2.84
assign    resid   44 and name HB2       resid   44 and name HD2*      3.25  1.45  0.00 ! #SUP  5.90
assign    resid   23 and name HG2       resid   23 and name HE*       3.99  2.19  0.00 ! #SUP  2.56
assign    resid   23 and name HA        resid   23 and name HG2       3.58  1.78  0.00 ! #SUP  4.34
assign    resid   37 and name HA        resid   37 and name HG2       3.77  1.97  0.00 ! #SUP  5.41
assign    resid   37 and name HG2       resid   37 and name HE2       4.16  2.36  0.00 ! #SUP  4.27
assign    resid   31 and name HD*       resid   39 and name HD1*      4.98  3.18  0.00 ! #SUP  3.11
assign    resid   39 and name HB2       resid   39 and name HD1*      3.40  1.60  0.00 ! #SUP  4.71
assign    resid   38 and name HB1       resid   38 and name HD1*      2.92  1.12  0.00 ! #SUP  3.99
assign    resid    2 and name HA        resid    2 and name HD1*      4.18  2.38  0.00 ! #SUP  1.64
assign    resid   33 and name HG2       resid   33 and name HE2       4.05  2.25  0.00 ! #SUP  6.08
assign    resid   33 and name HG1       resid   34 and name HE*       5.19  3.39  0.00 ! #SUP  8.72
assign    resid   33 and name HG1       resid   34 and name HD*       5.23  3.43  0.00 ! #SUP  8.62
assign    resid   33 and name HG2       resid   33 and name HE1       3.59  1.79  0.00 ! #SUP  5.85
assign    resid   18 and name HD2*      resid   41 and name HE*       4.48  2.68  0.00 ! #SUP  3.98
assign    resid   17 and name HD*       resid   18 and name HD2*      4.31  2.51  0.00 ! #SUP  5.24
assign    resid   18 and name HA        resid   18 and name HD2*      3.20  1.40  0.00 ! #SUP  6.52
assign    resid   18 and name HB1       resid   18 and name HD2*      3.72  1.92  0.00 ! #SUP  5.80
assign    resid   44 and name HA        resid   44 and name HD1*      2.84  1.04  0.00 ! #SUP  5.95
assign    resid   18 and name HD2*      resid   21 and name HB2       5.05  3.25  0.00 ! #SUP  1.97
assign    resid   18 and name HD2*      resid   46 and name HB2       4.29  2.49  0.00 ! #SUP  1.03
assign    resid   27 and name HD*       resid   54 and name HG*       3.78  1.98  0.00 ! #SUP  3.55
assign    resid   49 and name HG*       resid   54 and name HG*       3.70  1.90  0.00 ! #SUP  3.30
assign    resid   44 and name HB2       resid   44 and name HD1*      2.92  1.12  0.00 ! #SUP  5.87
assign    resid   48 and name HB2       resid   55 and name HG2*      3.65  1.85  0.00 ! #SUP  4.44
assign    resid   48 and name HB1       resid   55 and name HG2*      3.72  1.92  0.00 ! #SUP  4.43
assign    resid   48 and name HD*       resid   55 and name HG2*      3.98  2.18  0.00 ! #SUP  4.26
assign    resid   48 and name HG2       resid   55 and name HG2*      5.50  3.70  0.00 ! #SUP  4.33
assign    resid   55 and name HA        resid   55 and name HG2*      3.85  2.05  0.00 ! #SUP  3.31
assign    resid   27 and name HB2       resid   30 and name HB*       5.35  3.55  0.00 ! #SUP  2.30
assign    resid   30 and name HB*       resid   33 and name HB1       4.96  3.16  0.00 ! #SUP  3.69
assign    resid   48 and name HE*       resid   57 and name HB*       4.67  2.87  0.00 ! #SUP  1.50
assign    resid   47 and name HG2*      resid   56 and name HA        3.64  1.84  0.00 ! #SUP  3.26
assign    resid   47 and name HG2*      resid   47 and name HG12      4.08  2.28  0.00 ! #SUP  4.76
assign    resid   20 and name HD*       resid   30 and name HB*       4.26  2.46  0.00 ! #SUP  1.41
assign    resid   30 and name HB*       resid   31 and name HA        5.15  3.35  0.00 ! #SUP  3.99
assign    resid   17 and name HE*       resid   30 and name HB*       4.97  3.17  0.00 ! #SUP  1.10
assign    resid   30 and name HB*       resid   31 and name HB1       5.27  3.47  0.00 ! #SUP  4.06
assign    resid   29 and name HB2       resid   30 and name HB*       4.21  2.41  0.00 ! #SUP  3.73
assign    resid   30 and name HB*       resid   38 and name HD1*      3.43  1.63  0.00 ! #SUP  3.74
assign    resid   21 and name HB1       resid   22 and name HB*       5.25  3.45  0.00 ! #SUP  3.55
assign    resid   19 and name HA        resid   22 and name HB*       3.50  1.70  0.00 ! #SUP  2.41
assign    resid   22 and name HB*       resid   56 and name HD2*      3.51  1.71  0.00 ! #SUP  3.16
assign    resid   27 and name HB1       resid   53 and name HG2*      3.96  2.16  0.00 ! #SUP  5.03
assign    resid   26 and name HB2       resid   53 and name HG2*      5.50  3.70  0.00 ! #SUP  2.12
assign    resid   52 and name HB1       resid   53 and name HG2*      4.64  2.84  0.00 ! #SUP  1.50
assign    resid   53 and name HG2*      resid   53 and name HG1*      3.77  1.97  0.00 ! #SUP  3.16
assign    resid   50 and name HG2*      resid   51 and name HB1       4.18  2.38  0.00 ! #SUP  3.50
assign    resid   50 and name HG2*      resid   54 and name HA        5.50  3.70  0.00 ! #SUP  0.91
assign    resid   41 and name HB1       resid   47 and name HD1*      4.07  2.27  0.00 ! #SUP  6.85
assign    resid   41 and name HB2       resid   47 and name HD1*      4.14  2.34  0.00 ! #SUP  4.61
assign    resid   42 and name HB2       resid   47 and name HD1*      4.08  2.28  0.00 ! #SUP  5.56
assign    resid   38 and name HG        resid   47 and name HD1*      4.69  2.89  0.00 ! #SUP  0.75
assign    resid   47 and name HA        resid   47 and name HD1*      4.60  2.80  0.00 ! #SUP  6.38
assign    resid   47 and name HD1*      resid   48 and name HA        4.96  3.16  0.00 ! #SUP  4.14
assign    resid   47 and name HB        resid   47 and name HD1*      3.49  1.69  0.00 ! #SUP  6.19
assign    resid   47 and name HG2*      resid   47 and name HD1*      2.76  0.96  0.00 ! #SUP  6.30
assign    resid   50 and name HA        resid   50 and name HD1*      4.02  2.22  0.00 ! #SUP  4.03
assign    resid   24 and name HB1       resid   53 and name HD1*      4.35  2.55  0.00 ! #SUP  4.33
assign    resid   53 and name HA        resid   53 and name HD1*      4.52  2.72  0.00 ! #SUP  4.67
assign    resid   53 and name HB        resid   53 and name HD1*      3.85  2.05  0.00 ! #SUP  3.65
assign    resid   50 and name HB        resid   50 and name HD1*      3.81  2.01  0.00 ! #SUP  3.67
assign    resid   24 and name HB2       resid   53 and name HD1*      4.37  2.57  0.00 ! #SUP  4.22
assign    resid   49 and name HG*       resid   50 and name HN        4.75  2.95  0.00 ! #SUP  3.16
assign    resid   50 and name HN        resid   50 and name HG2*      5.19  3.39  0.00 ! #SUP  3.77
assign    resid   27 and name HN        resid   53 and name HA        4.62  2.82  0.00 ! #SUP  2.41
assign    resid   26 and name HB1       resid   27 and name HN        5.17  3.37  0.00 ! #SUP  3.68
assign    resid   27 and name HN        resid   53 and name HG2*      5.41  3.61  0.00 ! #SUP  3.96
assign    resid    2 and name HN        resid    2 and name HG        4.86  3.06  0.00 ! #SUP  2.09
assign    resid   50 and name HG2*      resid   51 and name HN        4.86  3.06  0.00 ! #SUP  3.71
assign    resid   35 and name HN        resid   36 and name HN        4.72  2.92  0.00 ! #SUP  4.11
assign    resid   35 and name HA2       resid   36 and name HN        3.30  1.50  0.00 ! #SUP  3.62
assign    resid   36 and name HN        resid   36 and name HB2       3.94  2.14  0.00 ! #SUP  4.04
assign    resid   36 and name HN        resid   36 and name HB1       3.61  1.81  0.00 ! #SUP  3.44
assign    resid   48 and name HN        resid   57 and name HN        4.69  2.89  0.00 ! #SUP  3.55
assign    resid   56 and name HN        resid   57 and name HN        4.97  3.17  0.00 ! #SUP  3.65
assign    resid   47 and name HA        resid   57 and name HN        3.86  2.06  0.00 ! #SUP  6.59
assign    resid   56 and name HA        resid   57 and name HN        3.32  1.52  0.00 ! #SUP  4.06
assign    resid   56 and name HB2       resid   57 and name HN        3.92  2.12  0.00 ! #SUP  4.15
assign    resid   57 and name HN        resid   57 and name HB*       3.72  1.92  0.00 ! #SUP  3.41
assign    resid   47 and name HG2*      resid   57 and name HN        4.07  2.27  0.00 ! #SUP  3.44
assign    resid   47 and name HB        resid   57 and name HN        5.34  3.54  0.00 ! #SUP  3.86
assign    resid   40 and name HA        resid   43 and name HN        4.88  3.08  0.00 ! #SUP  2.99
assign    resid   42 and name HB1       resid   43 and name HN        4.25  2.45  0.00 ! #SUP  5.31
assign    resid   42 and name HB2       resid   43 and name HN        4.11  2.31  0.00 ! #SUP  4.93
assign    resid   43 and name HN        resid   43 and name HB2       3.53  1.73  0.00 ! #SUP  5.61
assign    resid   43 and name HN        resid   43 and name HG        3.76  1.96  0.00 ! #SUP  5.82
assign    resid   43 and name HN        resid   43 and name HB1       3.68  1.88  0.00 ! #SUP  5.82
assign    resid   43 and name HN        resid   43 and name HD*       4.20  2.40  0.00 ! #SUP  6.47
assign    resid   15 and name HB2       resid   16 and name HN        4.65  2.85  0.00 ! #SUP  3.53
assign    resid   15 and name HB1       resid   16 and name HN        4.22  2.42  0.00 ! #SUP  3.43
assign    resid   16 and name HN        resid   16 and name HG2       4.73  2.93  0.00 ! #SUP  2.54
assign    resid   15 and name HA        resid   16 and name HN        3.51  1.71  0.00 ! #SUP  3.53
assign    resid   16 and name HN        resid   16 and name HB2       3.41  1.61  0.00 ! #SUP  4.16
assign    resid   42 and name HN        resid   43 and name HN        4.10  2.30  0.00 ! #SUP  5.94
assign    resid   41 and name HB1       resid   42 and name HN        4.18  2.38  0.00 ! #SUP  3.31
assign    resid   40 and name HG*       resid   42 and name HN        4.16  2.36  0.00 ! #SUP  1.30
assign    resid   42 and name HN        resid   42 and name HB1       3.57  1.77  0.00 ! #SUP  4.45
assign    resid   42 and name HN        resid   42 and name HB2       3.28  1.48  0.00 ! #SUP  3.77
assign    resid   42 and name HN        resid   47 and name HG12      5.12  3.32  0.00 ! #SUP  5.38
assign    resid   42 and name HN        resid   47 and name HD1*      4.53  2.73  0.00 ! #SUP  6.36
assign    resid   41 and name HD*       resid   42 and name HN        5.10  3.30  0.00 ! #SUP  5.28
assign    resid   28 and name HG1       resid   30 and name HN        5.10  3.30  0.00 ! #SUP  3.29
assign    resid   30 and name HN        resid   38 and name HD1*      5.40  3.60  0.00 ! #SUP  3.06
assign    resid   42 and name HN        resid   44 and name HN        5.17  3.37  0.00 ! #SUP  2.56
assign    resid   40 and name HA        resid   42 and name HN        5.48  3.68  0.00 ! #SUP  4.49
assign    resid   29 and name HB2       resid   30 and name HN        3.97  2.17  0.00 ! #SUP  4.20
assign    resid   30 and name HN        resid   30 and name HB*       3.78  1.98  0.00 ! #SUP  4.88
assign    resid   10 and name HN        resid   10 and name HG1       4.04  2.24  0.00 ! #SUP  3.23
assign    resid    8 and name HN        resid    8 and name HB1       2.84  1.04  0.00 ! #SUP  2.91
assign    resid    7 and name HD2*      resid    8 and name HN        4.62  2.82  0.00 ! #SUP  2.24
assign    resid   48 and name HN        resid   49 and name HN        5.27  3.47  0.00 ! #SUP  4.31
assign    resid   48 and name HA        resid   49 and name HN        3.42  1.62  0.00 ! #SUP  5.09
assign    resid   49 and name HN        resid   49 and name HD2       5.50  3.70  0.00 ! #SUP  2.81
assign    resid   48 and name HB2       resid   49 and name HN        3.49  1.69  0.00 ! #SUP  5.17
assign    resid   49 and name HN        resid   49 and name HB2       3.66  1.86  0.00 ! #SUP  5.36
assign    resid   48 and name HG2       resid   49 and name HN        5.23  3.43  0.00 ! #SUP  5.00
assign    resid   55 and name HB        resid   56 and name HN        3.93  2.13  0.00 ! #SUP  4.03
assign    resid   56 and name HN        resid   56 and name HG        3.50  1.70  0.00 ! #SUP  4.87
assign    resid   56 and name HN        resid   56 and name HD2*      4.03  2.23  0.00 ! #SUP  6.39
assign    resid    6 and name HB2       resid    7 and name HN        3.72  1.92  0.00 ! #SUP  3.39
assign    resid    7 and name HN        resid    7 and name HB*       2.77  0.97  0.00 ! #SUP  3.77
assign    resid    7 and name HN        resid    7 and name HD2*      4.01  2.21  0.00 ! #SUP  3.40
assign    resid    2 and name HD2*      resid    3 and name HN        4.26  2.46  0.00 ! #SUP  2.22
assign    resid   54 and name HN        resid   54 and name HG2*      4.29  2.49  0.00 ! #SUP  2.52
assign    resid   53 and name HB        resid   54 and name HN        3.57  1.77  0.00 ! #SUP  4.00
assign    resid   53 and name HD1*      resid   54 and name HN        4.38  2.58  0.00 ! #SUP  3.39
assign    resid   13 and name HA        resid   14 and name HN        3.00  1.20  0.00 ! #SUP  3.94
assign    resid   14 and name HN        resid   14 and name HG*       3.66  1.86  0.00 ! #SUP  5.22
assign    resid   13 and name HB*       resid   14 and name HN        2.91  1.11  0.00 ! #SUP  3.30
assign    resid   27 and name HB2       resid   54 and name HN        5.03  3.23  0.00 ! #SUP  2.06
assign    resid   14 and name HN        resid   16 and name HN        4.67  2.87  0.00 ! #SUP  2.69
assign    resid    3 and name HN        resid    3 and name HB1       3.01  1.21  0.00 ! #SUP  3.06
assign    resid    2 and name HG        resid    3 and name HN        3.58  1.78  0.00 ! #SUP  3.62
assign    resid   27 and name HB1       resid   54 and name HN        5.16  3.36  0.00 ! #SUP  4.18
assign    resid    9 and name HN        resid   11 and name HD1       5.24  3.44  0.00 ! #SUP  0.94
assign    resid    9 and name HN        resid    9 and name HG*       3.43  1.63  0.00 ! #SUP  3.76
assign    resid    9 and name HN        resid    9 and name HA        2.88  1.08  0.00 ! #SUP  3.82
assign    resid    9 and name HN        resid    9 and name HB1       2.98  1.18  0.00 ! #SUP  3.30
assign    resid    5 and name HN        resid    6 and name HN        4.57  2.77  0.00 ! #SUP  4.93
assign    resid   13 and name HA        resid   15 and name HN        4.96  3.16  0.00 ! #SUP  2.65
assign    resid   15 and name HN        resid   18 and name HD1*      5.50  3.70  0.00 ! #SUP  2.25
assign    resid    5 and name HN        resid    5 and name HD*       3.69  1.89  0.00 ! #SUP  4.61
assign    resid    4 and name HA        resid    5 and name HN        2.81  1.01  0.00 ! #SUP  2.63
assign    resid    5 and name HN        resid    5 and name HB2       3.10  1.30  0.00 ! #SUP  2.95
assign    resid    4 and name HB*       resid    5 and name HN        3.81  2.01  0.00 ! #SUP  1.60
assign    resid    5 and name HN        resid    7 and name HD2*      5.12  3.32  0.00 ! #SUP  1.93
assign    resid    5 and name HN        resid    7 and name HB*       4.27  2.47  0.00 ! #SUP  3.63
assign    resid   35 and name HN        resid   37 and name HN        4.43  2.63  0.00 ! #SUP  2.40
assign    resid   36 and name HN        resid   37 and name HN        3.69  1.89  0.00 ! #SUP  5.47
assign    resid   37 and name HN        resid   38 and name HN        3.82  2.02  0.00 ! #SUP  6.15
assign    resid   37 and name HN        resid   37 and name HB2       3.19  1.39  0.00 ! #SUP  3.94
assign    resid   37 and name HN        resid   37 and name HB1       3.21  1.41  0.00 ! #SUP  5.18
assign    resid   21 and name HB1       resid   22 and name HN        4.49  2.69  0.00 ! #SUP  4.56
assign    resid   14 and name HA        resid   15 and name HN        3.49  1.69  0.00 ! #SUP  4.22
assign    resid   15 and name HN        resid   15 and name HB2       3.87  2.07  0.00 ! #SUP  4.07
assign    resid   15 and name HN        resid   15 and name HB1       3.34  1.54  0.00 ! #SUP  3.19
assign    resid   14 and name HG*       resid   15 and name HN        4.64  2.84  0.00 ! #SUP  5.25
assign    resid   14 and name HB1       resid   15 and name HN        4.00  2.20  0.00 ! #SUP  4.11
assign    resid   16 and name HN        resid   17 and name HN        3.68  1.88  0.00 ! #SUP  3.21
assign    resid   16 and name HB2       resid   17 and name HN        3.98  2.18  0.00 ! #SUP  2.93
assign    resid   14 and name HN        resid   17 and name HN        4.48  2.68  0.00 ! #SUP  2.00
assign    resid   17 and name HN        resid   17 and name HB1       2.95  1.15  0.00 ! #SUP  3.36
assign    resid   30 and name HA        resid   32 and name HN        5.50  3.70  0.00 ! #SUP  5.44
assign    resid   32 and name HN        resid   32 and name HG        3.08  1.28  0.00 ! #SUP  6.50
assign    resid   31 and name HN        resid   32 and name HN        3.56  1.76  0.00 ! #SUP  6.89
assign    resid   32 and name HN        resid   34 and name HN        4.67  2.87  0.00 ! #SUP  3.79
assign    resid   31 and name HB2       resid   32 and name HN        3.80  2.00  0.00 ! #SUP  5.80
assign    resid   31 and name HB1       resid   32 and name HN        4.09  2.29  0.00 ! #SUP  5.87
assign    resid   32 and name HN        resid   32 and name HB1       3.70  1.90  0.00 ! #SUP  5.71
assign    resid   32 and name HN        resid   38 and name HD2*      5.50  3.70  0.00 ! #SUP  3.36
assign    resid   22 and name HN        resid   23 and name HN        3.52  1.72  0.00 ! #SUP  3.17
assign    resid   22 and name HN        resid   22 and name HB*       3.05  1.25  0.00 ! #SUP  4.58
assign    resid   22 and name HN        resid   56 and name HD2*      3.88  2.08  0.00 ! #SUP  4.23
assign    resid   21 and name HB2       resid   22 and name HN        4.53  2.73  0.00 ! #SUP  4.10
assign    resid   14 and name HA        resid   17 and name HN        3.13  1.33  0.00 ! #SUP  3.24
assign    resid    3 and name HD*       resid    4 and name HN        3.46  1.66  0.00 ! #SUP  3.05
assign    resid   17 and name HN        resid   34 and name HD*       4.92  3.12  0.00 ! #SUP  0.88
assign    resid   16 and name HN        resid   18 and name HN        5.38  3.58  0.00 ! #SUP  1.71
assign    resid   14 and name HA        resid   18 and name HN        5.01  3.21  0.00 ! #SUP  2.73
assign    resid   18 and name HN        resid   19 and name HB*       5.01  3.21  0.00 ! #SUP  3.49
assign    resid   18 and name HN        resid   18 and name HB2       3.65  1.85  0.00 ! #SUP  5.41
assign    resid   18 and name HN        resid   18 and name HB1       3.88  2.08  0.00 ! #SUP  5.62
assign    resid   18 and name HN        resid   18 and name HD1*      4.53  2.73  0.00 ! #SUP  5.45
assign    resid   18 and name HN        resid   18 and name HD2*      4.53  2.73  0.00 ! #SUP  5.64
assign    resid   15 and name HA        resid   18 and name HN        4.82  3.02  0.00 ! #SUP  5.38
assign    resid   20 and name HN        resid   22 and name HB*       5.50  3.70  0.00 ! #SUP  2.93
assign    resid   19 and name HN        resid   20 and name HN        3.85  2.05  0.00 ! #SUP  5.75
assign    resid   20 and name HN        resid   20 and name HD*       4.40  2.60  0.00 ! #SUP  5.52
assign    resid   20 and name HN        resid   20 and name HB2       3.49  1.69  0.00 ! #SUP  5.01
assign    resid   19 and name HB*       resid   20 and name HN        3.68  1.88  0.00 ! #SUP  3.76
assign    resid   30 and name HN        resid   31 and name HN        4.09  2.29  0.00 ! #SUP  4.05
assign    resid   31 and name HN        resid   31 and name HB2       3.83  2.03  0.00 ! #SUP  5.48
assign    resid   31 and name HN        resid   31 and name HB1       3.78  1.98  0.00 ! #SUP  5.89
assign    resid   30 and name HB*       resid   31 and name HN        4.19  2.39  0.00 ! #SUP  4.77
assign    resid   31 and name HN        resid   38 and name HD1*      5.02  3.22  0.00 ! #SUP  5.74
assign    resid   31 and name HN        resid   38 and name HD2*      4.84  3.04  0.00 ! #SUP  5.16
assign    resid   12 and name HN        resid   13 and name HN        3.69  1.89  0.00 ! #SUP  3.38
assign    resid   11 and name HD1       resid   12 and name HN        4.42  2.62  0.00 ! #SUP  4.92
assign    resid   31 and name HN        resid   32 and name HG        5.50  3.70  0.00 ! #SUP  4.42
assign    resid   12 and name HA        resid   13 and name HN        2.97  1.17  0.00 ! #SUP  3.56
assign    resid   13 and name HN        resid   13 and name HB*       2.89  1.09  0.00 ! #SUP  4.77
assign    resid   13 and name HN        resid   13 and name HG2       3.84  2.04  0.00 ! #SUP  3.56
assign    resid   48 and name HN        resid   55 and name HN        4.42  2.62  0.00 ! #SUP  2.24
assign    resid   48 and name HN        resid   56 and name HA        5.34  3.54  0.00 ! #SUP  4.53
assign    resid   47 and name HB        resid   48 and name HN        3.84  2.04  0.00 ! #SUP  6.07
assign    resid   48 and name HN        resid   48 and name HG2       4.63  2.83  0.00 ! #SUP  6.52
assign    resid   47 and name HD1*      resid   48 and name HN        5.04  3.24  0.00 ! #SUP  6.70
assign    resid   47 and name HG11      resid   48 and name HN        4.08  2.28  0.00 ! #SUP  5.31
assign    resid   48 and name HN        resid   55 and name HG2*      5.20  3.40  0.00 ! #SUP  5.21
assign    resid    6 and name HN        resid    7 and name HB*       4.85  3.05  0.00 ! #SUP  5.36
assign    resid    6 and name HN        resid    7 and name HN        3.46  1.66  0.00 ! #SUP  3.76
assign    resid    5 and name HD*       resid    6 and name HN        4.64  2.84  0.00 ! #SUP  3.71
assign    resid    5 and name HA        resid    6 and name HN        3.06  1.26  0.00 ! #SUP  3.97
assign    resid    6 and name HN        resid    6 and name HB1       3.53  1.73  0.00 ! #SUP  4.32
assign    resid    6 and name HN        resid    7 and name HD2*      5.50  3.70  0.00 ! #SUP  4.01
assign    resid   50 and name HN        resid   53 and name HN        4.52  2.72  0.00 ! #SUP  1.15
assign    resid   53 and name HN        resid   54 and name HA        4.98  3.18  0.00 ! #SUP  2.63
assign    resid   51 and name HB2       resid   53 and name HN        4.98  3.18  0.00 ! #SUP  2.47
assign    resid   51 and name HB1       resid   53 and name HN        4.80  3.00  0.00 ! #SUP  1.15
assign    resid   53 and name HN        resid   53 and name HB        3.89  2.09  0.00 ! #SUP  3.78
assign    resid   49 and name HG*       resid   53 and name HN        3.75  1.95  0.00 ! #SUP  2.31
assign    resid   53 and name HN        resid   53 and name HG2*      4.12  2.32  0.00 ! #SUP  3.52
assign    resid   40 and name HN        resid   41 and name HN        3.68  1.88  0.00 ! #SUP  4.12
assign    resid   39 and name HN        resid   40 and name HN        3.60  1.80  0.00 ! #SUP  5.16
assign    resid   36 and name HA        resid   40 and name HN        4.76  2.96  0.00 ! #SUP  3.61
assign    resid   40 and name HN        resid   40 and name HB1       3.24  1.44  0.00 ! #SUP  4.24
assign    resid   39 and name HB2       resid   40 and name HN        3.54  1.74  0.00 ! #SUP  5.35
assign    resid   39 and name HB1       resid   40 and name HN        3.60  1.80  0.00 ! #SUP  5.89
assign    resid   28 and name HN        resid   29 and name HN        3.83  2.03  0.00 ! #SUP  6.03
assign    resid   29 and name HN        resid   30 and name HN        3.49  1.69  0.00 ! #SUP  5.17
assign    resid   26 and name HB1       resid   29 and name HN        4.74  2.94  0.00 ! #SUP  1.50
assign    resid   28 and name HG1       resid   29 and name HN        3.87  2.07  0.00 ! #SUP  4.87
assign    resid   29 and name HN        resid   29 and name HB2       3.09  1.29  0.00 ! #SUP  4.49
assign    resid   29 and name HN        resid   30 and name HB*       4.92  3.12  0.00 ! #SUP  4.73
assign    resid   29 and name HN        resid   32 and name HD*       5.22  3.42  0.00 ! #SUP  3.71
assign    resid   15 and name HA        resid   19 and name HN        5.12  3.32  0.00 ! #SUP  3.23
assign    resid   16 and name HA        resid   19 and name HN        3.91  2.11  0.00 ! #SUP  0.80
assign    resid   19 and name HN        resid   20 and name HB1       5.20  3.40  0.00 ! #SUP  4.05
assign    resid   19 and name HN        resid   19 and name HG2       3.66  1.86  0.00 ! #SUP  4.27
assign    resid   19 and name HN        resid   19 and name HB*       2.98  1.18  0.00 ! #SUP  5.61
assign    resid   18 and name HB2       resid   19 and name HN        3.72  1.92  0.00 ! #SUP  5.01
assign    resid   18 and name HB1       resid   19 and name HN        3.91  2.11  0.00 ! #SUP  6.11
assign    resid   18 and name HD1*      resid   19 and name HN        5.50  3.70  0.00 ! #SUP  5.10
assign    resid   36 and name HA        resid   38 and name HN        5.02  3.22  0.00 ! #SUP  5.47
assign    resid   36 and name HN        resid   38 and name HN        4.88  3.08  0.00 ! #SUP  2.42
assign    resid   41 and name HN        resid   41 and name HD*       4.16  2.36  0.00 ! #SUP  6.70
assign    resid   41 and name HN        resid   41 and name HB1       3.76  1.96  0.00 ! #SUP  4.85
assign    resid   41 and name HN        resid   41 and name HB2       3.99  2.19  0.00 ! #SUP  5.08
assign    resid   41 and name HN        resid   42 and name HB1       5.12  3.32  0.00 ! #SUP  2.34
assign    resid   40 and name HB2       resid   41 and name HN        3.70  1.90  0.00 ! #SUP  4.85
assign    resid   41 and name HN        resid   47 and name HD1*      5.41  3.61  0.00 ! #SUP  3.70
assign    resid   37 and name HG1       resid   38 and name HN        4.56  2.76  0.00 ! #SUP  6.46
assign    resid   38 and name HN        resid   39 and name HN        4.03  2.23  0.00 ! #SUP  4.75
assign    resid   38 and name HN        resid   38 and name HB2       3.66  1.86  0.00 ! #SUP  4.82
assign    resid   38 and name HN        resid   38 and name HB1       3.50  1.70  0.00 ! #SUP  5.52
assign    resid   37 and name HB1       resid   38 and name HN        4.20  2.40  0.00 ! #SUP  6.20
assign    resid   38 and name HN        resid   38 and name HD2*      5.33  3.53  0.00 ! #SUP  5.37
assign    resid   36 and name HA        resid   39 and name HN        4.42  2.62  0.00 ! #SUP  5.55
assign    resid   39 and name HN        resid   39 and name HB2       4.14  2.34  0.00 ! #SUP  5.98
assign    resid   39 and name HN        resid   39 and name HG        3.90  2.10  0.00 ! #SUP  5.23
assign    resid   38 and name HB1       resid   39 and name HN        4.67  2.87  0.00 ! #SUP  4.94
assign    resid   39 and name HN        resid   39 and name HD2*      4.62  2.82  0.00 ! #SUP  6.02
assign    resid   54 and name HA        resid   55 and name HN        3.55  1.75  0.00 ! #SUP  2.91
assign    resid   54 and name HB        resid   55 and name HN        4.80  3.00  0.00 ! #SUP  3.39
assign    resid   55 and name HN        resid   55 and name HG2*      4.42  2.62  0.00 ! #SUP  3.39
assign    resid   27 and name HN        resid   28 and name HN        4.21  2.41  0.00 ! #SUP  5.34
assign    resid   28 and name HN        resid   30 and name HN        5.31  3.51  0.00 ! #SUP  3.61
assign    resid   27 and name HD*       resid   28 and name HN        4.70  2.90  0.00 ! #SUP  6.83
assign    resid   26 and name HB1       resid   28 and name HN        4.90  3.10  0.00 ! #SUP  4.53
assign    resid   27 and name HB2       resid   28 and name HN        4.04  2.24  0.00 ! #SUP  5.41
assign    resid   27 and name HB1       resid   28 and name HN        4.24  2.44  0.00 ! #SUP  5.74
assign    resid   28 and name HN        resid   28 and name HG1       4.54  2.74  0.00 ! #SUP  4.81
assign    resid   28 and name HN        resid   28 and name HB2       3.57  1.77  0.00 ! #SUP  4.39
assign    resid   28 and name HN        resid   30 and name HB*       5.50  3.70  0.00 ! #SUP  5.59
assign    resid   28 and name HN        resid   32 and name HD*       5.50  3.70  0.00 ! #SUP  2.96
assign    resid   30 and name HA        resid   33 and name HN        4.82  3.02  0.00 ! #SUP  5.57
assign    resid   32 and name HB1       resid   33 and name HN        3.77  1.97  0.00 ! #SUP  5.61
assign    resid   33 and name HN        resid   34 and name HN        3.58  1.78  0.00 ! #SUP  7.79
assign    resid   32 and name HN        resid   33 and name HN        3.72  1.92  0.00 ! #SUP  5.64
assign    resid   33 and name HN        resid   34 and name HD*       5.41  3.61  0.00 ! #SUP  6.49
assign    resid   32 and name HB2       resid   33 and name HN        3.85  2.05  0.00 ! #SUP  5.03
assign    resid   33 and name HN        resid   33 and name HB2       3.35  1.55  0.00 ! #SUP  7.85
assign    resid   33 and name HN        resid   33 and name HB1       3.53  1.73  0.00 ! #SUP  7.11
assign    resid   33 and name HN        resid   33 and name HG1       5.01  3.21  0.00 ! #SUP  7.94
assign    resid   19 and name HN        resid   21 and name HN        4.73  2.93  0.00 ! #SUP  3.19
assign    resid   21 and name HN        resid   22 and name HN        4.07  2.27  0.00 ! #SUP  4.37
assign    resid   20 and name HD*       resid   21 and name HN        4.16  2.36  0.00 ! #SUP  5.34
assign    resid   17 and name HA        resid   21 and name HN        4.56  2.76  0.00 ! #SUP  2.35
assign    resid   20 and name HB1       resid   21 and name HN        3.71  1.91  0.00 ! #SUP  5.41
assign    resid   21 and name HN        resid   21 and name HB2       3.69  1.89  0.00 ! #SUP  4.52
assign    resid   20 and name HN        resid   21 and name HN        3.94  2.14  0.00 ! #SUP  5.96
assign    resid   21 and name HN        resid   21 and name HB1       3.86  2.06  0.00 ! #SUP  4.73
assign    resid   21 and name HN        resid   56 and name HD2*      4.98  3.18  0.00 ! #SUP  3.33
assign    resid   57 and name HN        resid   58 and name HN        4.99  3.19  0.00 ! #SUP  2.88
assign    resid   56 and name HB2       resid   58 and name HN        5.34  3.54  0.00 ! #SUP  1.53
assign    resid   57 and name HB*       resid   58 and name HN        4.75  2.95  0.00 ! #SUP  2.30
assign    resid   43 and name HN        resid   44 and name HN        3.92  2.12  0.00 ! #SUP  5.94
assign    resid   41 and name HA        resid   44 and name HN        3.81  2.01  0.00 ! #SUP  5.55
assign    resid   40 and name HA        resid   44 and name HN        4.75  2.95  0.00 ! #SUP  2.29
assign    resid   44 and name HN        resid   44 and name HB2       3.45  1.65  0.00 ! #SUP  6.20
assign    resid   44 and name HN        resid   44 and name HB1       3.24  1.44  0.00 ! #SUP  6.27
assign    resid   44 and name HN        resid   44 and name HD1*      4.24  2.44  0.00 ! #SUP  6.36
assign    resid   44 and name HN        resid   44 and name HD2*      4.45  2.65  0.00 ! #SUP  6.23
assign    resid   46 and name HN        resid   47 and name HN        3.43  1.63  0.00 ! #SUP  5.71
assign    resid   46 and name HN        resid   46 and name HB2       4.02  2.22  0.00 ! #SUP  6.62
assign    resid   46 and name HN        resid   46 and name HB1       3.79  1.99  0.00 ! #SUP  6.75
assign    resid   44 and name HB1       resid   46 and name HN        4.60  2.80  0.00 ! #SUP  1.93
assign    resid   46 and name HN        resid   46 and name HG1       3.81  2.01  0.00 ! #SUP  5.65
assign    resid   46 and name HN        resid   46 and name HE*       5.22  3.42  0.00 ! #SUP  6.02
assign    resid   46 and name HN        resid   47 and name HG2*      4.91  3.11  0.00 ! #SUP  4.89
assign    resid   23 and name HN        resid   24 and name HN        3.56  1.76  0.00 ! #SUP  6.17
assign    resid   24 and name HN        resid   25 and name HD2       3.95  2.15  0.00 ! #SUP  4.74
assign    resid   24 and name HN        resid   25 and name HD1       4.02  2.22  0.00 ! #SUP  6.41
assign    resid   23 and name HB2       resid   24 and name HN        4.59  2.79  0.00 ! #SUP  5.52
assign    resid   23 and name HG2       resid   24 and name HN        4.35  2.55  0.00 ! #SUP  5.58
assign    resid   22 and name HA        resid   24 and name HN        5.05  3.25  0.00 ! #SUP  2.66
assign    resid   23 and name HB1       resid   24 and name HN        4.68  2.88  0.00 ! #SUP  7.55
assign    resid   24 and name HN        resid   53 and name HD1*      5.00  3.20  0.00 ! #SUP  3.04
assign    resid   23 and name HN        resid   23 and name HB2       3.90  2.10  0.00 ! #SUP  4.70
assign    resid   23 and name HN        resid   23 and name HB1       3.41  1.61  0.00 ! #SUP  5.69
assign    resid   22 and name HB*       resid   23 and name HN        3.61  1.81  0.00 ! #SUP  3.57
assign    resid   23 and name HN        resid   24 and name HA        4.76  2.96  0.00 ! #SUP  2.97
assign    resid   34 and name HN        resid   34 and name HD*       4.05  2.25  0.00 ! #SUP  8.51
assign    resid   30 and name HA        resid   34 and name HN        5.24  3.44  0.00 ! #SUP  6.58
assign    resid   31 and name HA        resid   34 and name HN        4.52  2.72  0.00 ! #SUP  3.73
assign    resid   34 and name HN        resid   34 and name HB1       3.87  2.07  0.00 ! #SUP  6.12
assign    resid   33 and name HB2       resid   34 and name HN        4.23  2.43  0.00 ! #SUP  9.42
assign    resid   33 and name HB1       resid   34 and name HN        4.06  2.26  0.00 ! #SUP  9.00
assign    resid   33 and name HG2       resid   34 and name HN        5.01  3.21  0.00 ! #SUP  7.28
assign    resid   34 and name HN        resid   34 and name HE*       5.38  3.58  0.00 ! #SUP  7.89
assign    resid   30 and name HB*       resid   34 and name HN        5.24  3.44  0.00 ! #SUP  5.25
assign    resid   25 and name HA        resid   26 and name HN        3.34  1.54  0.00 ! #SUP  4.11
assign    resid   26 and name HN        resid   26 and name HB2       3.80  2.00  0.00 ! #SUP  3.56
assign    resid   26 and name HN        resid   28 and name HG1       5.07  3.27  0.00 ! #SUP  2.61
assign    resid   25 and name HB2       resid   26 and name HN        3.79  1.99  0.00 ! #SUP  4.10
assign    resid   25 and name HB1       resid   26 and name HN        4.68  2.88  0.00 ! #SUP  3.62
assign    resid   26 and name HN        resid   53 and name HG2*      5.50  3.70  0.00 ! #SUP  2.49
assign    resid   33 and name HN        resid   35 and name HN        4.98  3.18  0.00 ! #SUP  1.39
assign    resid   31 and name HA        resid   35 and name HN        3.72  1.92  0.00 ! #SUP  2.38
assign    resid   34 and name HB1       resid   35 and name HN        4.58  2.78  0.00 ! #SUP  3.16
assign    resid   35 and name HN        resid   38 and name HB1       4.96  3.16  0.00 ! #SUP  1.68
assign    resid   42 and name HA        resid   47 and name HN        4.33  2.53  0.00 ! #SUP  2.14
assign    resid   46 and name HB2       resid   47 and name HN        5.07  3.27  0.00 ! #SUP  5.87
assign    resid   46 and name HB1       resid   47 and name HN        4.59  2.79  0.00 ! #SUP  5.57
assign    resid   47 and name HN        resid   47 and name HG12      4.55  2.75  0.00 ! #SUP  5.97
assign    resid   47 and name HN        resid   47 and name HD1*      5.25  3.45  0.00 ! #SUP  6.74
assign    resid   47 and name HN        resid   47 and name HG2*      4.21  2.41  0.00 ! #SUP  6.90
assign    resid   47 and name HN        resid   48 and name HN        5.25  3.45  0.00 ! #SUP  5.24
assign    resid   43 and name HN        resid   45 and name HN        5.14  3.34  0.00 ! #SUP  2.82
assign    resid   44 and name HN        resid   45 and name HN        3.91  2.11  0.00 ! #SUP  7.56
assign    resid   45 and name HN        resid   47 and name HN        4.52  2.72  0.00 ! #SUP  1.34
assign    resid   44 and name HB2       resid   45 and name HN        4.97  3.17  0.00 ! #SUP  5.41
assign    resid   44 and name HB1       resid   45 and name HN        4.11  2.31  0.00 ! #SUP  6.75
assign    resid   44 and name HD1*      resid   45 and name HN        4.65  2.85  0.00 ! #SUP  6.75
assign    resid   44 and name HD2*      resid   45 and name HN        5.50  3.70  0.00 ! #SUP  6.62
assign    resid   20 and name HA        resid   20 and name HD*       3.16  1.36  0.00 ! #SUP  4.44
assign    resid    5 and name HA        resid    5 and name HD*       2.89  1.09  0.00 ! #SUP  3.54
assign    resid    3 and name HD*       resid    5 and name HD*       3.80  2.00  0.00 ! #SUP  2.40
assign    resid    5 and name HD*       resid    7 and name HD1*      3.50  1.70  0.00 ! #SUP  3.04
assign    resid   31 and name HA        resid   31 and name HD*       2.78  0.98  0.00 ! #SUP  4.41
assign    resid   31 and name HD*       resid   38 and name HB2       3.57  1.77  0.00 ! #SUP  5.75
assign    resid   31 and name HD*       resid   39 and name HG        3.66  1.86  0.00 ! #SUP  3.14
assign    resid   31 and name HD*       resid   38 and name HB1       3.54  1.74  0.00 ! #SUP  5.00
assign    resid   31 and name HD*       resid   32 and name HD*       3.08  1.28  0.00 ! #SUP  5.16
assign    resid   31 and name HD*       resid   36 and name HA        4.22  2.42  0.00 ! #SUP  2.95
assign    resid   27 and name HD*       resid   49 and name HG*       3.38  1.58  0.00 ! #SUP  2.46
assign    resid   27 and name HD*       resid   38 and name HD2*      3.50  1.70  0.00 ! #SUP  0.75
assign    resid   40 and name HB2       resid   41 and name HD*       3.69  1.89  0.00 ! #SUP  3.65
assign    resid   18 and name HG        resid   41 and name HD*       3.60  1.80  0.00 ! #SUP  2.00
assign    resid   41 and name HD*       resid   46 and name HD*       3.94  2.14  0.00 ! #SUP  5.14
assign    resid   41 and name HD*       resid   47 and name HG2*      3.47  1.67  0.00 ! #SUP  6.80
assign    resid   18 and name HD2*      resid   41 and name HD*       3.40  1.60  0.00 ! #SUP  1.98
assign    resid   30 and name HA        resid   34 and name HD*       3.81  2.01  0.00 ! #SUP  5.43
assign    resid   33 and name HD1       resid   34 and name HE*       3.98  2.18  0.00 ! #SUP  8.67
assign    resid   17 and name HB1       resid   34 and name HE*       4.13  2.33  0.00 ! #SUP  0.75
assign    resid   17 and name HD*       resid   18 and name HG        3.80  2.00  0.00 ! #SUP  4.59
assign    resid   17 and name HA        resid   17 and name HD*       3.29  1.49  0.00 ! #SUP  4.13
assign    resid   17 and name HD*       resid   37 and name HG2       3.91  2.11  0.00 ! #SUP  1.86
assign    resid   17 and name HD*       resid   34 and name HD*       3.89  2.09  0.00 ! #SUP  1.57
assign    resid   17 and name HE*       resid   38 and name HB1       3.73  1.93  0.00 ! #SUP  2.96
assign    resid   17 and name HE*       resid   47 and name HD1*      3.81  2.01  0.00 ! #SUP  0.75
assign    resid   17 and name HE*       resid   38 and name HA        3.59  1.79  0.00 ! #SUP  2.96
assign    resid   17 and name HE*       resid   41 and name HB2       4.06  2.26  0.00 ! #SUP  0.75
assign    resid   17 and name HE*       resid   38 and name HD1*      3.12  1.32  0.00 ! #SUP  2.95
assign    resid   17 and name HE*       resid   34 and name HD*       3.65  1.85  0.00 ! #SUP  2.48
assign    resid   17 and name HA        resid   34 and name HZ        3.61  1.81  0.00 ! #SUP  1.75
assign    resid   20 and name HB1       resid   34 and name HZ        4.01  2.21  0.00 ! #SUP  2.00
assign    resid   17 and name HZ        resid   38 and name HA        3.01  1.21  0.00 ! #SUP  4.70
assign    resid   17 and name HZ        resid   38 and name HB1       3.71  1.91  0.00 ! #SUP  4.75
assign    resid   17 and name HZ        resid   38 and name HG        3.67  1.87  0.00 ! #SUP  3.00
assign    resid   17 and name HZ        resid   38 and name HD1*      2.81  1.01  0.00 ! #SUP  4.75
assign    resid   17 and name HZ        resid   47 and name HD1*      3.34  1.54  0.00 ! #SUP  0.75
assign    resid   17 and name HZ        resid   38 and name HD2*      3.96  2.16  0.00 ! #SUP  3.00
assign    resid   31 and name HE*       resid   36 and name HA        3.08  1.28  0.00 ! #SUP  2.95
assign    resid   31 and name HE*       resid   39 and name HG        3.50  1.70  0.00 ! #SUP  2.16
assign    resid   31 and name HE*       resid   39 and name HD1*      3.01  1.21  0.00 ! #SUP  2.16
assign    resid    3 and name HD*       resid    5 and name HE*       3.45  1.65  0.00 ! #SUP  1.16
assign    resid   31 and name HE*       resid   32 and name HD*       3.14  1.34  0.00 ! #SUP  2.72
assign    resid   17 and name HD*       resid   41 and name HE*       3.70  1.90  0.00 ! #SUP  2.15
assign    resid   18 and name HG        resid   41 and name HE*       3.35  1.55  0.00 ! #SUP  4.06
assign    resid   27 and name HE*       resid   38 and name HD2*      2.99  1.19  0.00 ! #SUP  0.75
# Restraints file 2: dpra_hbond_restraints.tbl
! liaison  48 N <-->  55 O
assign (resid 48 and name N ) (resid 55 and name O ) 3.2 0.3 0.1
assign (resid 48 and name HN) (resid 55 and name O ) 2.2 0.3 0.1
!
! liaison  55 N <-->  48 O
assign (resid 55 and name N ) (resid 48 and name O ) 3.2 0.3 0.1
assign (resid 55 and name HN) (resid 48 and name O ) 2.2 0.3 0.1
!
! liaison  19 N <-->  15 O
assign (resid 19 and name N ) (resid 15 and name O ) 3.2 0.3 0.1
assign (resid 19 and name HN) (resid 15 and name O ) 2.2 0.3 0.1
!
! liaison  31 N <-->  27 O
assign (resid 31 and name N ) (resid 27 and name O ) 3.2 0.3 0.1
assign (resid 31 and name HN) (resid 27 and name O ) 2.2 0.3 0.1
!
! liaison  32 N <-->  28 O
assign (resid 32 and name N ) (resid 28 and name O ) 3.2 0.3 0.1
assign (resid 32 and name HN) (resid 28 and name O ) 2.2 0.3 0.1
!
! liaison  41 N <-->  37 O
assign (resid 41 and name N ) (resid 37 and name O ) 3.2 0.3 0.1
assign (resid 41 and name HN) (resid 37 and name O ) 2.2 0.3 0.1
!
! liaison  43 N <-->  39 O
assign (resid 43 and name N ) (resid 39 and name O ) 3.2 0.3 0.1
assign (resid 43 and name HN) (resid 39 and name O ) 2.2 0.3 0.1
!
! liaison  44 N <-->  40 O
assign (resid 44 and name N ) (resid 40 and name O ) 3.2 0.3 0.1
assign (resid 44 and name HN) (resid 40 and name O ) 2.2 0.3 0.1
!
! liaison  45 N <-->  41 O
assign (resid 45 and name N ) (resid 41 and name O ) 3.2 0.3 0.1
assign (resid 45 and name HN) (resid 41 and name O ) 2.2 0.3 0.1

# Restraints file 3: dpra_dihe_restraints.tbl
! Angle constraint file from UNIO
! UNIO version 2.0.3
! File format   : cns
! File generated: 2015 April  6th, 16:50:40

assign (resid   15 and name C    ) (resid   16 and name N    ) (resid   16 and name CA   ) (resid   16 and name C    ) 1.0  -70.0  50.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   ) (resid   16 and name C    ) (resid   17 and name N    ) 1.0  -50.0  50.0 2
assign (resid   16 and name C    ) (resid   17 and name N    ) (resid   17 and name CA   ) (resid   17 and name C    ) 1.0  -70.0  50.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   ) (resid   17 and name C    ) (resid   18 and name N    ) 1.0  -50.0  50.0 2
assign (resid   17 and name C    ) (resid   18 and name N    ) (resid   18 and name CA   ) (resid   18 and name C    ) 1.0  -70.0  50.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   ) (resid   18 and name C    ) (resid   19 and name N    ) 1.0  -50.0  50.0 2
assign (resid   18 and name C    ) (resid   19 and name N    ) (resid   19 and name CA   ) (resid   19 and name C    ) 1.0  -70.0  50.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   ) (resid   19 and name C    ) (resid   20 and name N    ) 1.0  -50.0  50.0 2
assign (resid   19 and name C    ) (resid   20 and name N    ) (resid   20 and name CA   ) (resid   20 and name C    ) 1.0  -70.0  50.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   ) (resid   20 and name C    ) (resid   21 and name N    ) 1.0  -50.0  50.0 2
assign (resid   21 and name C    ) (resid   22 and name N    ) (resid   22 and name CA   ) (resid   22 and name C    ) 1.0  -20.0 100.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   ) (resid   22 and name C    ) (resid   23 and name N    ) 1.0  -20.0  80.0 2
assign (resid   23 and name C    ) (resid   24 and name N    ) (resid   24 and name CA   ) (resid   24 and name C    ) 1.0  -70.0  50.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   ) (resid   24 and name C    ) (resid   25 and name N    ) 1.0  -50.0  50.0 2
assign (resid   26 and name C    ) (resid   27 and name N    ) (resid   27 and name CA   ) (resid   27 and name C    ) 1.0  -70.0  50.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   ) (resid   27 and name C    ) (resid   28 and name N    ) 1.0  -50.0  50.0 2
assign (resid   27 and name C    ) (resid   28 and name N    ) (resid   28 and name CA   ) (resid   28 and name C    ) 1.0  -70.0  50.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   ) (resid   28 and name C    ) (resid   29 and name N    ) 1.0  -50.0  50.0 2
assign (resid   28 and name C    ) (resid   29 and name N    ) (resid   29 and name CA   ) (resid   29 and name C    ) 1.0  -70.0  50.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   ) (resid   29 and name C    ) (resid   30 and name N    ) 1.0  -50.0  50.0 2
assign (resid   29 and name C    ) (resid   30 and name N    ) (resid   30 and name CA   ) (resid   30 and name C    ) 1.0  -70.0  50.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   ) (resid   30 and name C    ) (resid   31 and name N    ) 1.0  -50.0  50.0 2
assign (resid   30 and name C    ) (resid   31 and name N    ) (resid   31 and name CA   ) (resid   31 and name C    ) 1.0  -70.0  50.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   ) (resid   31 and name C    ) (resid   32 and name N    ) 1.0  -50.0  50.0 2
assign (resid   31 and name C    ) (resid   32 and name N    ) (resid   32 and name CA   ) (resid   32 and name C    ) 1.0  -70.0  50.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   ) (resid   32 and name C    ) (resid   33 and name N    ) 1.0  -50.0  50.0 2
assign (resid   32 and name C    ) (resid   33 and name N    ) (resid   33 and name CA   ) (resid   33 and name C    ) 1.0  -70.0  50.0 2
assign (resid   33 and name N    ) (resid   33 and name CA   ) (resid   33 and name C    ) (resid   34 and name N    ) 1.0  -50.0  50.0 2
assign (resid   35 and name C    ) (resid   36 and name N    ) (resid   36 and name CA   ) (resid   36 and name C    ) 1.0  -70.0  50.0 2
assign (resid   36 and name N    ) (resid   36 and name CA   ) (resid   36 and name C    ) (resid   37 and name N    ) 1.0  -50.0  50.0 2
assign (resid   36 and name C    ) (resid   37 and name N    ) (resid   37 and name CA   ) (resid   37 and name C    ) 1.0  -70.0  50.0 2
assign (resid   37 and name N    ) (resid   37 and name CA   ) (resid   37 and name C    ) (resid   38 and name N    ) 1.0  -50.0  50.0 2
assign (resid   37 and name C    ) (resid   38 and name N    ) (resid   38 and name CA   ) (resid   38 and name C    ) 1.0  -70.0  50.0 2
assign (resid   38 and name N    ) (resid   38 and name CA   ) (resid   38 and name C    ) (resid   39 and name N    ) 1.0  -50.0  50.0 2
assign (resid   38 and name C    ) (resid   39 and name N    ) (resid   39 and name CA   ) (resid   39 and name C    ) 1.0  -70.0  50.0 2
assign (resid   39 and name N    ) (resid   39 and name CA   ) (resid   39 and name C    ) (resid   40 and name N    ) 1.0  -50.0  50.0 2
assign (resid   39 and name C    ) (resid   40 and name N    ) (resid   40 and name CA   ) (resid   40 and name C    ) 1.0  -70.0  50.0 2
assign (resid   40 and name N    ) (resid   40 and name CA   ) (resid   40 and name C    ) (resid   41 and name N    ) 1.0  -50.0  50.0 2
assign (resid   40 and name C    ) (resid   41 and name N    ) (resid   41 and name CA   ) (resid   41 and name C    ) 1.0  -70.0  50.0 2
assign (resid   41 and name N    ) (resid   41 and name CA   ) (resid   41 and name C    ) (resid   42 and name N    ) 1.0  -50.0  50.0 2
assign (resid   41 and name C    ) (resid   42 and name N    ) (resid   42 and name CA   ) (resid   42 and name C    ) 1.0  -70.0  50.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   ) (resid   42 and name C    ) (resid   43 and name N    ) 1.0  -50.0  50.0 2
assign (resid   42 and name C    ) (resid   43 and name N    ) (resid   43 and name CA   ) (resid   43 and name C    ) 1.0  -70.0  50.0 2
assign (resid   43 and name N    ) (resid   43 and name CA   ) (resid   43 and name C    ) (resid   44 and name N    ) 1.0  -50.0  50.0 2
assign (resid   46 and name C    ) (resid   47 and name N    ) (resid   47 and name CA   ) (resid   47 and name C    ) 1.0 -140.0  60.0 2
assign (resid   47 and name N    ) (resid   47 and name CA   ) (resid   47 and name C    ) (resid   48 and name N    ) 1.0  130.0  90.0 2
assign (resid   47 and name C    ) (resid   48 and name N    ) (resid   48 and name CA   ) (resid   48 and name C    ) 1.0 -140.0  60.0 2
assign (resid   48 and name N    ) (resid   48 and name CA   ) (resid   48 and name C    ) (resid   49 and name N    ) 1.0  130.0  90.0 2
assign (resid   50 and name C    ) (resid   51 and name N    ) (resid   51 and name CA   ) (resid   51 and name C    ) 1.0  -70.0  50.0 2
assign (resid   51 and name N    ) (resid   51 and name CA   ) (resid   51 and name C    ) (resid   52 and name N    ) 1.0  -50.0  50.0 2
assign (resid   54 and name C    ) (resid   55 and name N    ) (resid   55 and name CA   ) (resid   55 and name C    ) 1.0 -140.0  60.0 2
assign (resid   55 and name N    ) (resid   55 and name CA   ) (resid   55 and name C    ) (resid   56 and name N    ) 1.0  130.0  90.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  28.375  -5.559  13.186
    2    H2   MET   1           HT2      MET   1  28.873  -7.008  12.451
    3    H3   MET   1           HT3      MET   1  29.036  -6.809  14.129
    4    HA   MET   1           HA       MET   1  26.692  -6.720  14.404
    5    HB2  MET   1           HB2      MET   1  26.648  -7.140  11.348
    6    HB3  MET   1           HB1      MET   1  25.215  -7.410  12.405
    7    HG2  MET   1           HG2      MET   1  25.278  -5.075  13.165
    8    HG3  MET   1           HG1      MET   1  26.723  -4.750  12.151
    9    HE1  MET   1           HE1      MET   1  23.941  -2.656  10.433
   10    HE2  MET   1           HE2      MET   1  25.580  -2.690  11.168
   11    HE3  MET   1           HE3      MET   1  24.132  -3.012  12.184
   12    H    LEU   2           HN       LEU   2  27.134  -9.003  11.683
   13    HA   LEU   2           HA       LEU   2  26.639 -11.161  13.516
   14    HB2  LEU   2           HB2      LEU   2  25.709 -10.638  11.001
   15    HB3  LEU   2           HB1      LEU   2  27.139 -11.602  10.548
   16    HG   LEU   2           HG       LEU   2  26.233 -13.423  12.167
   17   HD11  LEU   2          HD11      LEU   2  23.711 -11.639  12.048
   18   HD12  LEU   2          HD12      LEU   2  24.679 -12.007  13.519
   19   HD13  LEU   2          HD13      LEU   2  23.773 -13.325  12.692
   20   HD21  LEU   2          HD21      LEU   2  24.590 -14.288  10.513
   21   HD22  LEU   2          HD22      LEU   2  26.043 -13.600   9.696
   22   HD23  LEU   2          HD23      LEU   2  24.501 -12.664   9.731
   23    H    LYS   3           HN       LYS   3  27.957 -13.255  13.151
   24    HA   LYS   3           HA       LYS   3  30.746 -12.538  13.420
   25    HB2  LYS   3           HB2      LYS   3  29.496 -14.023  15.052
   26    HB3  LYS   3           HB1      LYS   3  29.423 -15.292  13.795
   27    HG2  LYS   3           HG2      LYS   3  32.056 -14.007  14.775
   28    HG3  LYS   3           HG1      LYS   3  31.270 -15.367  15.644
   29    HD2  LYS   3           HD2      LYS   3  31.489 -16.847  13.697
   30    HD3  LYS   3           HD1      LYS   3  32.199 -15.519  12.720
   31    HE2  LYS   3           HE2      LYS   3  34.134 -15.358  14.341
   32    HE3  LYS   3           HE1      LYS   3  33.457 -16.772  15.251
   33    HZ1  LYS   3           HZ1      LYS   3  33.656 -18.076  13.238
   34    HZ2  LYS   3           HZ2      LYS   3  35.153 -17.418  13.701
   35    HZ3  LYS   3           HZ3      LYS   3  34.295 -16.745  12.398
   36    H    ASP   4           HN       ASP   4  31.997 -12.504  11.633
   37    HA   ASP   4           HA       ASP   4  31.215 -14.110   9.311
   38    HB2  ASP   4           HB2      ASP   4  33.263 -11.822   9.563
   39    HB3  ASP   4           HB1      ASP   4  32.831 -12.686   8.038
   40    H    TYR   5           HN       TYR   5  32.825 -15.380   8.246
   41    HA   TYR   5           HA       TYR   5  34.646 -16.606  10.185
   42    HB2  TYR   5           HB2      TYR   5  33.409 -17.728   7.637
   43    HB3  TYR   5           HB1      TYR   5  34.462 -18.645   8.792
   44    HD1  TYR   5           HD1      TYR   5  33.674 -19.101  11.091
   45    HD2  TYR   5           HD2      TYR   5  31.091 -17.273   8.183
   46    HE1  TYR   5           HE1      TYR   5  31.726 -19.570  12.531
   47    HE2  TYR   5           HE2      TYR   5  29.140 -17.735   9.619
   48    HH   TYR   5           HH       TYR   5  29.498 -19.378  12.798
   49    H    HIS   6           HN       HIS   6  35.638 -17.922   7.516
   50    HA   HIS   6           HA       HIS   6  37.924 -16.242   7.199
   51    HB2  HIS   6           HB2      HIS   6  37.062 -18.818   5.821
   52    HB3  HIS   6           HB1      HIS   6  38.642 -18.007   5.569
   53    HD1  HIS   6           HD1      HIS   6  36.679 -19.756   8.340
   54    HD2  HIS   6           HD2      HIS   6  40.610 -18.593   7.435
   55    HE1  HIS   6           HE1      HIS   6  38.190 -20.767  10.105
   56    HE2  HIS   6           HE2      HIS   6  40.547 -20.041   9.524
   57    H    LEU   7           HN       LEU   7  34.776 -16.427   5.782
   58    HA   LEU   7           HA       LEU   7  35.455 -15.916   3.111
   59    HB2  LEU   7           HB2      LEU   7  32.823 -15.439   4.638
   60    HB3  LEU   7           HB1      LEU   7  33.046 -15.206   2.872
   61    HG   LEU   7           HG       LEU   7  33.824 -17.676   2.782
   62   HD11  LEU   7          HD11      LEU   7  32.723 -19.200   4.460
   63   HD12  LEU   7          HD12      LEU   7  32.308 -17.770   5.476
   64   HD13  LEU   7          HD13      LEU   7  34.033 -18.223   5.203
   65   HD21  LEU   7          HD21      LEU   7  31.470 -18.415   2.477
   66   HD22  LEU   7          HD22      LEU   7  31.748 -16.763   1.800
   67   HD23  LEU   7          HD23      LEU   7  30.891 -16.958   3.378
   68    H    LYS   8           HN       LYS   8  36.020 -14.070   2.136
   69    HA   LYS   8           HA       LYS   8  35.219 -11.510   3.159
   70    HB2  LYS   8           HB2      LYS   8  37.333 -12.151   4.479
   71    HB3  LYS   8           HB1      LYS   8  38.194 -12.305   2.915
   72    HG2  LYS   8           HG2      LYS   8  37.833  -9.852   2.501
   73    HG3  LYS   8           HG1      LYS   8  36.797  -9.755   3.969
   74    HD2  LYS   8           HD2      LYS   8  38.808 -10.408   5.374
   75    HD3  LYS   8           HD1      LYS   8  39.809 -10.410   3.881
   76    HE2  LYS   8           HE2      LYS   8  40.125  -8.272   5.102
   77    HE3  LYS   8           HE1      LYS   8  39.268  -7.952   3.540
   78    HZ1  LYS   8           HZ1      LYS   8  37.999  -8.197   6.217
   79    HZ2  LYS   8           HZ2      LYS   8  37.197  -7.898   4.750
   80    HZ3  LYS   8           HZ3      LYS   8  38.298  -6.759   5.362
   81    H    GLU   9           HN       GLU   9  35.502  -9.915   1.429
   82    HA   GLU   9           HA       GLU   9  35.926 -11.128  -1.183
   83    HB2  GLU   9           HB2      GLU   9  34.763  -9.289  -2.165
   84    HB3  GLU   9           HB1      GLU   9  33.720 -10.100  -0.959
   85    HG2  GLU   9           HG2      GLU   9  35.302  -7.501  -0.473
   86    HG3  GLU   9           HG1      GLU   9  33.581  -7.569  -0.993
   87    H    MET  10           HN       MET  10  37.494 -10.239  -2.577
   88    HA   MET  10           HA       MET  10  39.207  -8.162  -1.388
   89    HB2  MET  10           HB2      MET  10  40.073 -10.634  -2.971
   90    HB3  MET  10           HB1      MET  10  41.118  -9.218  -2.621
   91    HG2  MET  10           HG2      MET  10  41.765 -10.756  -1.012
   92    HG3  MET  10           HG1      MET  10  40.722  -9.576  -0.162
   93    HE1  MET  10           HE1      MET  10  39.617 -12.738  -2.454
   94    HE2  MET  10           HE2      MET  10  39.623 -14.016  -1.196
   95    HE3  MET  10           HE3      MET  10  41.153 -13.178  -1.625
   96    HA   PRO  11           HA       PRO  11  37.856  -6.816  -5.538
   97    HB2  PRO  11           HB2      PRO  11  37.212  -4.185  -4.891
   98    HB3  PRO  11           HB1      PRO  11  36.075  -5.573  -4.714
   99    HG2  PRO  11           HG1      PRO  11  37.764  -4.258  -2.536
  100    HG3  PRO  11           HG2      PRO  11  36.030  -4.776  -2.468
  101    HD2  PRO  11           HD1      PRO  11  38.137  -6.325  -1.462
  102    HD3  PRO  11           HD2      PRO  11  36.652  -7.073  -2.168
  103    H    GLU  12           HN       GLU  12  39.369  -4.200  -3.476
  104    HA   GLU  12           HA       GLU  12  41.936  -4.621  -4.484
  105    HB2  GLU  12           HB2      GLU  12  41.009  -3.462  -6.554
  106    HB3  GLU  12           HB1      GLU  12  40.413  -2.130  -5.521
  107    HG2  GLU  12           HG2      GLU  12  42.510  -1.477  -6.670
  108    HG3  GLU  12           HG1      GLU  12  42.780  -1.542  -4.893
  109    H    MET  13           HN       MET  13  42.977  -4.171  -2.624
  110    HA   MET  13           HA       MET  13  41.821  -2.188  -0.786
  111    HB2  MET  13           HB2      MET  13  43.914  -4.379  -0.311
  112    HB3  MET  13           HB1      MET  13  43.279  -3.226   0.929
  113    HG2  MET  13           HG2      MET  13  40.995  -4.190   0.647
  114    HG3  MET  13           HG1      MET  13  41.597  -5.284  -0.636
  115    HE1  MET  13           HE1      MET  13  40.802  -7.938   1.873
  116    HE2  MET  13           HE2      MET  13  40.680  -7.278   0.209
  117    HE3  MET  13           HE3      MET  13  39.883  -6.421   1.572
  118    H    GLU  14           HN       GLU  14  43.125  -0.401  -0.165
  119    HA   GLU  14           HA       GLU  14  45.677  -0.078  -1.481
  120    HB2  GLU  14           HB2      GLU  14  44.949   1.675  -3.021
  121    HB3  GLU  14           HB1      GLU  14  44.066   0.149  -3.343
  122    HG2  GLU  14           HG2      GLU  14  42.040   1.002  -2.162
  123    HG3  GLU  14           HG1      GLU  14  42.884   2.561  -1.829
  124    H    ASP  15           HN       ASP  15  43.089   1.026   0.575
  125    HA   ASP  15           HA       ASP  15  44.551   3.363   1.454
  126    HB2  ASP  15           HB2      ASP  15  42.168   3.531   1.467
  127    HB3  ASP  15           HB1      ASP  15  42.011   2.095   2.564
  128    H    GLU  16           HN       GLU  16  44.289  -0.051   2.146
  129    HA   GLU  16           HA       GLU  16  45.519  -0.208   4.635
  130    HB2  GLU  16           HB2      GLU  16  44.400  -2.106   3.464
  131    HB3  GLU  16           HB1      GLU  16  45.658  -2.069   2.187
  132    HG2  GLU  16           HG2      GLU  16  47.405  -2.704   3.903
  133    HG3  GLU  16           HG1      GLU  16  46.131  -2.739   5.178
  134    H    PHE  17           HN       PHE  17  46.844  -0.148   1.271
  135    HA   PHE  17           HA       PHE  17  49.553  -0.144   1.944
  136    HB2  PHE  17           HB2      PHE  17  48.701  -0.652  -0.360
  137    HB3  PHE  17           HB1      PHE  17  48.002   0.986  -0.485
  138    HD1  PHE  17           HD1      PHE  17  51.218  -0.902  -0.267
  139    HD2  PHE  17           HD2      PHE  17  49.323   2.837  -1.180
  140    HE1  PHE  17           HE1      PHE  17  53.319  -0.093  -1.295
  141    HE2  PHE  17           HE2      PHE  17  51.453   3.674  -2.136
  142    HZ   PHE  17           HZ       PHE  17  53.465   2.232  -2.122
  143    H    LEU  18           HN       LEU  18  47.159   2.522   1.582
  144    HA   LEU  18           HA       LEU  18  49.105   4.500   1.395
  145    HB2  LEU  18           HB2      LEU  18  46.344   4.204   0.997
  146    HB3  LEU  18           HB1      LEU  18  46.381   5.454   2.231
  147    HG   LEU  18           HG       LEU  18  47.762   5.375  -0.531
  148   HD11  LEU  18          HD11      LEU  18  45.495   7.177   0.531
  149   HD12  LEU  18          HD12      LEU  18  45.320   5.785  -0.604
  150   HD13  LEU  18          HD13      LEU  18  46.227   7.259  -1.115
  151   HD21  LEU  18          HD21      LEU  18  48.510   7.711  -0.253
  152   HD22  LEU  18          HD22      LEU  18  49.316   6.615   0.911
  153   HD23  LEU  18          HD23      LEU  18  47.980   7.696   1.477
  154    H    GLU  19           HN       GLU  19  47.819   2.878   4.192
  155    HA   GLU  19           HA       GLU  19  48.515   5.129   5.966
  156    HB2  GLU  19           HB2      GLU  19  46.905   2.591   6.461
  157    HB3  GLU  19           HB1      GLU  19  47.377   3.763   7.742
  158    HG2  GLU  19           HG2      GLU  19  45.606   4.394   5.286
  159    HG3  GLU  19           HG1      GLU  19  45.065   4.154   6.984
  160    H    TYR  20           HN       TYR  20  49.588   2.105   4.697
  161    HA   TYR  20           HA       TYR  20  51.285   1.337   6.902
  162    HB2  TYR  20           HB2      TYR  20  50.874   0.495   3.971
  163    HB3  TYR  20           HB1      TYR  20  52.230  -0.160   4.845
  164    HD1  TYR  20           HD1      TYR  20  51.640  -2.386   4.707
  165    HD2  TYR  20           HD2      TYR  20  49.039   0.346   6.751
  166    HE1  TYR  20           HE1      TYR  20  50.430  -4.293   5.705
  167    HE2  TYR  20           HE2      TYR  20  47.825  -1.544   7.751
  168    HH   TYR  20           HH       TYR  20  47.625  -3.786   7.895
  169    H    CYS  21           HN       CYS  21  51.290   3.372   4.160
  170    HA   CYS  21           HA       CYS  21  54.035   3.239   3.639
  171    HB2  CYS  21           HB2      CYS  21  51.959   5.341   2.816
  172    HB3  CYS  21           HB1      CYS  21  53.686   5.552   2.403
  173    HG   CYS  21           HG1      CYS  21  51.783   2.993   1.649
  174    H    ALA  22           HN       ALA  22  52.292   4.703   6.165
  175    HA   ALA  22           HA       ALA  22  53.869   6.954   6.770
  176    HB1  ALA  22           HB1      ALA  22  52.105   5.186   8.576
  177    HB2  ALA  22           HB2      ALA  22  51.540   6.612   7.634
  178    HB3  ALA  22           HB3      ALA  22  52.711   6.839   8.985
  179    H    LYS  23           HN       LYS  23  54.458   3.562   6.962
  180    HA   LYS  23           HA       LYS  23  56.694   3.866   8.800
  181    HB2  LYS  23           HB2      LYS  23  55.346   1.708   8.883
  182    HB3  LYS  23           HB1      LYS  23  55.799   1.406   7.178
  183    HG2  LYS  23           HG2      LYS  23  58.284   1.585   7.987
  184    HG3  LYS  23           HG1      LYS  23  57.633   1.510   9.655
  185    HD2  LYS  23           HD2      LYS  23  57.259  -0.591   7.420
  186    HD3  LYS  23           HD1      LYS  23  58.438  -0.689   8.775
  187    HE2  LYS  23           HE2      LYS  23  56.534  -0.760  10.432
  188    HE3  LYS  23           HE1      LYS  23  55.350  -0.710   9.061
  189    HZ1  LYS  23           HZ1      LYS  23  56.303  -2.750   8.234
  190    HZ2  LYS  23           HZ2      LYS  23  55.747  -2.933   9.829
  191    HZ3  LYS  23           HZ3      LYS  23  57.412  -2.801   9.519
  192    H    ASN  24           HN       ASN  24  57.535   5.510   7.506
  193    HA   ASN  24           HA       ASN  24  58.194   5.287   4.839
  194    HB2  ASN  24           HB2      ASN  24  59.553   7.059   6.943
  195    HB3  ASN  24           HB1      ASN  24  59.691   7.251   5.159
  196   HD21  ASN  24          HD21      ASN  24  56.257   8.420   4.733
  197   HD22  ASN  24          HD22      ASN  24  57.479   7.463   3.964
  198    HA   PRO  25           HA       PRO  25  62.584   3.773   6.013
  199    HB2  PRO  25           HB2      PRO  25  62.629   2.082   8.348
  200    HB3  PRO  25           HB1      PRO  25  63.282   3.774   8.253
  201    HG2  PRO  25           HG1      PRO  25  60.531   2.844   9.216
  202    HG3  PRO  25           HG2      PRO  25  61.628   4.080   9.968
  203    HD2  PRO  25           HD1      PRO  25  59.521   4.877   8.432
  204    HD3  PRO  25           HD2      PRO  25  61.132   5.681   8.184
  205    H    SER  26           HN       SER  26  63.166   1.874   4.972
  206    HA   SER  26           HA       SER  26  62.929   0.044   3.893
  207    HB2  SER  26           HB2      SER  26  61.437  -0.852   6.409
  208    HB3  SER  26           HB1      SER  26  61.818  -1.982   5.035
  209    HG   SER  26           HG1      SER  26  63.930  -1.684   5.402
  210    H    TYR  27           HN       TYR  27  61.732   1.657   2.589
  211    HA   TYR  27           HA       TYR  27  58.924   1.470   2.368
  212    HB2  TYR  27           HB2      TYR  27  59.073   2.969   0.568
  213    HB3  TYR  27           HB1      TYR  27  60.334   3.528   1.727
  214    HD1  TYR  27           HD1      TYR  27  62.743   2.008   1.076
  215    HD2  TYR  27           HD2      TYR  27  59.661   3.386  -1.589
  216    HE1  TYR  27           HE1      TYR  27  64.324   1.904  -0.801
  217    HE2  TYR  27           HE2      TYR  27  61.208   3.191  -3.483
  218    HH   TYR  27           HH       TYR  27  63.303   2.696  -4.158
  219    H    GLU  28           HN       GLU  28  61.654  -0.175   1.199
  220    HA   GLU  28           HA       GLU  28  60.808  -1.372  -1.125
  221    HB2  GLU  28           HB2      GLU  28  62.643  -3.133  -0.376
  222    HB3  GLU  28           HB1      GLU  28  63.123  -1.450  -0.761
  223    HG2  GLU  28           HG2      GLU  28  63.267  -0.795   1.573
  224    HG3  GLU  28           HG1      GLU  28  62.580  -2.351   2.146
  225    H    GLU  29           HN       GLU  29  60.242  -2.198   2.319
  226    HA   GLU  29           HA       GLU  29  59.261  -4.817   1.764
  227    HB2  GLU  29           HB2      GLU  29  58.999  -2.988   4.206
  228    HB3  GLU  29           HB1      GLU  29  58.393  -4.686   4.146
  229    HG2  GLU  29           HG2      GLU  29  60.674  -5.553   3.755
  230    HG3  GLU  29           HG1      GLU  29  61.344  -3.884   3.709
  231    H    ALA  30           HN       ALA  30  57.870  -1.521   2.015
  232    HA   ALA  30           HA       ALA  30  55.172  -2.443   2.058
  233    HB1  ALA  30           HB1      ALA  30  56.311   0.345   1.405
  234    HB2  ALA  30           HB2      ALA  30  55.801  -0.223   3.034
  235    HB3  ALA  30           HB3      ALA  30  54.577  -0.039   1.729
  236    H    TYR  31           HN       TYR  31  57.584  -1.929  -0.440
  237    HA   TYR  31           HA       TYR  31  55.685  -1.713  -2.599
  238    HB2  TYR  31           HB2      TYR  31  57.902  -0.692  -2.962
  239    HB3  TYR  31           HB1      TYR  31  58.699  -2.083  -2.266
  240    HD1  TYR  31           HD1      TYR  31  60.255  -2.543  -3.980
  241    HD2  TYR  31           HD2      TYR  31  56.106  -2.185  -4.976
  242    HE1  TYR  31           HE1      TYR  31  60.711  -3.508  -6.204
  243    HE2  TYR  31           HE2      TYR  31  56.518  -3.232  -7.167
  244    HH   TYR  31           HH       TYR  31  59.841  -4.213  -8.158
  245    H    LEU  32           HN       LEU  32  58.032  -4.194  -1.459
  246    HA   LEU  32           HA       LEU  32  57.270  -6.003  -3.411
  247    HB2  LEU  32           HB2      LEU  32  58.849  -6.292  -0.807
  248    HB3  LEU  32           HB1      LEU  32  58.760  -7.592  -2.037
  249    HG   LEU  32           HG       LEU  32  59.745  -4.733  -2.669
  250   HD11  LEU  32          HD11      LEU  32  61.468  -7.180  -1.888
  251   HD12  LEU  32          HD12      LEU  32  61.184  -5.720  -0.869
  252   HD13  LEU  32          HD13      LEU  32  62.073  -5.568  -2.429
  253   HD21  LEU  32          HD21      LEU  32  60.857  -5.817  -4.625
  254   HD22  LEU  32          HD22      LEU  32  59.072  -6.038  -4.674
  255   HD23  LEU  32          HD23      LEU  32  60.135  -7.406  -4.169
  256    H    LYS  33           HN       LYS  33  56.071  -5.597  -0.125
  257    HA   LYS  33           HA       LYS  33  54.892  -8.127   0.201
  258    HB2  LYS  33           HB2      LYS  33  55.258  -6.495   2.094
  259    HB3  LYS  33           HB1      LYS  33  54.070  -5.399   1.368
  260    HG2  LYS  33           HG2      LYS  33  52.887  -8.088   1.750
  261    HG3  LYS  33           HG1      LYS  33  53.637  -7.505   3.272
  262    HD2  LYS  33           HD2      LYS  33  52.369  -5.420   3.201
  263    HD3  LYS  33           HD1      LYS  33  51.738  -5.819   1.556
  264    HE2  LYS  33           HE2      LYS  33  50.360  -7.621   2.401
  265    HE3  LYS  33           HE1      LYS  33  51.077  -7.496   4.069
  266    HZ1  LYS  33           HZ1      LYS  33  50.143  -5.290   4.223
  267    HZ2  LYS  33           HZ2      LYS  33  48.936  -6.438   3.896
  268    HZ3  LYS  33           HZ3      LYS  33  49.487  -5.412   2.662
  269    H    PHE  34           HN       PHE  34  53.674  -4.980  -1.037
  270    HA   PHE  34           HA       PHE  34  51.060  -5.996  -1.642
  271    HB2  PHE  34           HB2      PHE  34  52.491  -3.297  -2.113
  272    HB3  PHE  34           HB1      PHE  34  50.845  -3.625  -2.723
  273    HD1  PHE  34           HD1      PHE  34  52.911  -3.544   0.383
  274    HD2  PHE  34           HD2      PHE  34  48.946  -3.484  -1.255
  275    HE1  PHE  34           HE1      PHE  34  52.027  -3.037   2.602
  276    HE2  PHE  34           HE2      PHE  34  48.043  -2.944   0.990
  277    HZ   PHE  34           HZ       PHE  34  49.594  -2.640   2.916
  278    H    GLY  35           HN       GLY  35  53.113  -4.082  -3.858
  279    HA2  GLY  35           HA2      GLY  35  54.332  -5.784  -5.362
  280    HA3  GLY  35           HA1      GLY  35  52.651  -5.911  -6.035
  281    H    ASP  36           HN       ASP  36  52.368  -4.637  -7.758
  282    HA   ASP  36           HA       ASP  36  54.139  -2.520  -8.308
  283    HB2  ASP  36           HB2      ASP  36  51.501  -3.256  -9.691
  284    HB3  ASP  36           HB1      ASP  36  52.790  -2.193 -10.374
  285    H    LYS  37           HN       LYS  37  51.707  -2.548  -6.114
  286    HA   LYS  37           HA       LYS  37  50.147  -0.336  -6.495
  287    HB2  LYS  37           HB2      LYS  37  49.821  -2.184  -4.815
  288    HB3  LYS  37           HB1      LYS  37  51.198  -1.532  -3.901
  289    HG2  LYS  37           HG2      LYS  37  49.079  -0.842  -2.884
  290    HG3  LYS  37           HG1      LYS  37  49.991   0.585  -3.485
  291    HD2  LYS  37           HD2      LYS  37  47.624   0.882  -3.873
  292    HD3  LYS  37           HD1      LYS  37  48.481   0.763  -5.448
  293    HE2  LYS  37           HE2      LYS  37  47.679  -1.630  -5.685
  294    HE3  LYS  37           HE1      LYS  37  46.842  -1.492  -4.083
  295    HZ1  LYS  37           HZ1      LYS  37  45.356  -1.136  -5.909
  296    HZ2  LYS  37           HZ2      LYS  37  46.298   0.147  -6.504
  297    HZ3  LYS  37           HZ3      LYS  37  45.516   0.291  -5.002
  298    H    LEU  38           HN       LEU  38  53.426  -0.650  -5.019
  299    HA   LEU  38           HA       LEU  38  53.449   2.111  -4.188
  300    HB2  LEU  38           HB2      LEU  38  54.749   0.248  -2.933
  301    HB3  LEU  38           HB1      LEU  38  55.770   0.086  -4.321
  302    HG   LEU  38           HG       LEU  38  55.518   2.891  -3.243
  303   HD11  LEU  38          HD11      LEU  38  56.961   0.751  -1.570
  304   HD12  LEU  38          HD12      LEU  38  55.456   1.622  -1.108
  305   HD13  LEU  38          HD13      LEU  38  57.001   2.530  -1.297
  306   HD21  LEU  38          HD21      LEU  38  58.000   2.903  -3.567
  307   HD22  LEU  38          HD22      LEU  38  57.129   2.359  -5.052
  308   HD23  LEU  38          HD23      LEU  38  57.947   1.148  -3.995
  309    H    LEU  39           HN       LEU  39  54.498   0.300  -7.058
  310    HA   LEU  39           HA       LEU  39  56.212   2.279  -8.040
  311    HB2  LEU  39           HB2      LEU  39  54.572   0.217  -9.604
  312    HB3  LEU  39           HB1      LEU  39  55.953   1.168 -10.240
  313    HG   LEU  39           HG       LEU  39  56.030  -0.931  -7.991
  314   HD11  LEU  39          HD11      LEU  39  57.320  -2.290  -9.618
  315   HD12  LEU  39          HD12      LEU  39  57.180  -0.974 -10.848
  316   HD13  LEU  39          HD13      LEU  39  55.703  -1.845 -10.287
  317   HD21  LEU  39          HD21      LEU  39  58.537  -0.717  -8.103
  318   HD22  LEU  39          HD22      LEU  39  57.752   0.773  -7.479
  319   HD23  LEU  39          HD23      LEU  39  58.357   0.717  -9.180
  320    H    GLU  40           HN       GLU  40  52.718   1.615  -8.663
  321    HA   GLU  40           HA       GLU  40  52.463   3.696 -10.551
  322    HB2  GLU  40           HB2      GLU  40  49.998   3.330 -10.293
  323    HB3  GLU  40           HB1      GLU  40  50.912   1.823 -10.673
  324    HG2  GLU  40           HG2      GLU  40  50.807   1.179  -8.246
  325    HG3  GLU  40           HG1      GLU  40  49.921   2.665  -7.869
  326    H    TYR  41           HN       TYR  41  51.960   3.560  -6.998
  327    HA   TYR  41           HA       TYR  41  50.484   6.012  -6.915
  328    HB2  TYR  41           HB2      TYR  41  51.624   3.986  -4.915
  329    HB3  TYR  41           HB1      TYR  41  51.276   5.593  -4.309
  330    HD1  TYR  41           HD1      TYR  41  49.637   4.906  -2.759
  331    HD2  TYR  41           HD2      TYR  41  49.005   4.255  -6.985
  332    HE1  TYR  41           HE1      TYR  41  47.270   4.362  -2.354
  333    HE2  TYR  41           HE2      TYR  41  46.665   3.765  -6.565
  334    HH   TYR  41           HH       TYR  41  45.025   3.604  -5.047
  335    H    GLU  42           HN       GLU  42  53.808   5.096  -7.032
  336    HA   GLU  42           HA       GLU  42  54.850   7.517  -5.862
  337    HB2  GLU  42           HB2      GLU  42  56.057   5.368  -5.725
  338    HB3  GLU  42           HB1      GLU  42  56.206   5.321  -7.518
  339    HG2  GLU  42           HG2      GLU  42  57.619   7.434  -7.411
  340    HG3  GLU  42           HG1      GLU  42  57.452   7.423  -5.614
  341    H    LEU  43           HN       LEU  43  54.282   6.154  -9.111
  342    HA   LEU  43           HA       LEU  43  55.333   8.374 -10.536
  343    HB2  LEU  43           HB2      LEU  43  53.535   5.990 -11.240
  344    HB3  LEU  43           HB1      LEU  43  54.036   7.175 -12.479
  345    HG   LEU  43           HG       LEU  43  56.007   5.536 -10.782
  346   HD11  LEU  43          HD11      LEU  43  54.597   4.021 -12.160
  347   HD12  LEU  43          HD12      LEU  43  56.295   4.069 -12.765
  348   HD13  LEU  43          HD13      LEU  43  55.000   4.971 -13.642
  349   HD21  LEU  43          HD21      LEU  43  57.674   6.155 -12.536
  350   HD22  LEU  43          HD22      LEU  43  57.029   7.608 -11.696
  351   HD23  LEU  43          HD23      LEU  43  56.442   7.190 -13.350
  352    H    LEU  44           HN       LEU  44  52.308   7.680  -8.938
  353    HA   LEU  44           HA       LEU  44  50.691   9.409 -10.527
  354    HB2  LEU  44           HB2      LEU  44  49.717   7.414  -9.605
  355    HB3  LEU  44           HB1      LEU  44  50.269   7.857  -7.965
  356    HG   LEU  44           HG       LEU  44  48.644   9.634  -7.801
  357   HD11  LEU  44          HD11      LEU  44  47.818   8.981 -10.711
  358   HD12  LEU  44          HD12      LEU  44  48.600  10.505 -10.143
  359   HD13  LEU  44          HD13      LEU  44  46.935  10.093  -9.598
  360   HD21  LEU  44          HD21      LEU  44  46.544   8.310  -7.864
  361   HD22  LEU  44          HD22      LEU  44  47.924   7.330  -7.236
  362   HD23  LEU  44          HD23      LEU  44  47.335   7.080  -8.921
  363    H    GLY  45           HN       GLY  45  51.130   9.484  -6.909
  364    HA2  GLY  45           HA2      GLY  45  52.598  11.522  -6.395
  365    HA3  GLY  45           HA1      GLY  45  51.157  12.390  -7.072
  366    H    LYS  46           HN       LYS  46  50.891   9.328  -5.335
  367    HA   LYS  46           HA       LYS  46  49.392  10.634  -3.201
  368    HB2  LYS  46           HB2      LYS  46  49.730   7.742  -4.057
  369    HB3  LYS  46           HB1      LYS  46  48.924   8.228  -2.519
  370    HG2  LYS  46           HG2      LYS  46  47.356   9.690  -3.787
  371    HG3  LYS  46           HG1      LYS  46  48.058   9.122  -5.342
  372    HD2  LYS  46           HD2      LYS  46  47.272   6.847  -4.938
  373    HD3  LYS  46           HD1      LYS  46  46.813   7.246  -3.243
  374    HE2  LYS  46           HE2      LYS  46  45.084   8.861  -4.065
  375    HE3  LYS  46           HE1      LYS  46  45.509   8.454  -5.776
  376    HZ1  LYS  46           HZ1      LYS  46  44.468   6.562  -3.728
  377    HZ2  LYS  46           HZ2      LYS  46  44.875   6.173  -5.329
  378    HZ3  LYS  46           HZ3      LYS  46  43.593   7.242  -5.015
  379    H    ILE  47           HN       ILE  47  52.328   8.874  -4.000
  380    HA   ILE  47           HA       ILE  47  53.596   9.623  -1.477
  381    HB   ILE  47           HB       ILE  47  54.945   7.490  -1.696
  382   HG12  ILE  47          HG12      ILE  47  52.473   6.696  -3.349
  383   HG13  ILE  47          HG11      ILE  47  54.109   6.974  -4.027
  384   HG21  ILE  47          HG21      ILE  47  51.973   7.152  -0.937
  385   HG22  ILE  47          HG22      ILE  47  53.228   7.944   0.104
  386   HG23  ILE  47          HG23      ILE  47  53.392   6.206  -0.347
  387   HD11  ILE  47           HD1      ILE  47  55.000   5.185  -2.660
  388   HD12  ILE  47           HD2      ILE  47  53.724   4.560  -3.764
  389   HD13  ILE  47           HD3      ILE  47  53.380   4.769  -2.001
  390    H    LYS  48           HN       LYS  48  56.063   9.530  -1.975
  391    HA   LYS  48           HA       LYS  48  56.718   9.437  -4.775
  392    HB2  LYS  48           HB2      LYS  48  57.538  11.808  -2.961
  393    HB3  LYS  48           HB1      LYS  48  58.216  11.510  -4.592
  394    HG2  LYS  48           HG2      LYS  48  55.997  11.893  -5.625
  395    HG3  LYS  48           HG1      LYS  48  55.281  12.224  -4.011
  396    HD2  LYS  48           HD2      LYS  48  57.570  13.826  -5.309
  397    HD3  LYS  48           HD1      LYS  48  55.829  14.296  -5.304
  398    HE2  LYS  48           HE2      LYS  48  55.877  14.419  -2.779
  399    HE3  LYS  48           HE1      LYS  48  57.640  14.001  -2.807
  400    HZ1  LYS  48           HZ1      LYS  48  57.272  16.350  -2.633
  401    HZ2  LYS  48           HZ2      LYS  48  56.384  16.374  -4.081
  402    HZ3  LYS  48           HZ3      LYS  48  58.035  15.977  -4.104
  403    H    ARG  49           HN       ARG  49  59.220   9.400  -4.893
  404    HA   ARG  49           HA       ARG  49  60.512   8.809  -2.365
  405    HB2  ARG  49           HB2      ARG  49  59.796   6.561  -3.139
  406    HB3  ARG  49           HB1      ARG  49  60.624   6.819  -4.707
  407    HG2  ARG  49           HG2      ARG  49  62.211   7.136  -2.111
  408    HG3  ARG  49           HG1      ARG  49  61.713   5.498  -2.625
  409    HD2  ARG  49           HD2      ARG  49  62.883   5.784  -4.827
  410    HD3  ARG  49           HD1      ARG  49  63.422   7.442  -4.319
  411    HE   ARG  49           HE       ARG  49  64.130   5.335  -2.383
  412   HH11  ARG  49          HH11      ARG  49  66.367   4.689  -2.250
  413   HH12  ARG  49          HH12      ARG  49  67.491   5.167  -3.478
  414   HH21  ARG  49          HH21      ARG  49  65.115   6.965  -5.415
  415   HH22  ARG  49          HH22      ARG  49  66.771   6.477  -5.295
  416    H    ILE  50           HN       ILE  50  62.583   9.764  -2.474
  417    HA   ILE  50           HA       ILE  50  63.752  10.276  -5.024
  418    HB   ILE  50           HB       ILE  50  62.154  12.125  -4.988
  419   HG12  ILE  50          HG12      ILE  50  63.668  14.074  -5.153
  420   HG13  ILE  50          HG11      ILE  50  65.009  13.136  -4.428
  421   HG21  ILE  50          HG21      ILE  50  63.396  12.965  -2.293
  422   HG22  ILE  50          HG22      ILE  50  61.762  12.233  -2.523
  423   HG23  ILE  50          HG23      ILE  50  62.138  13.842  -3.229
  424   HD11  ILE  50           HD1      ILE  50  63.557  12.437  -7.074
  425   HD12  ILE  50           HD2      ILE  50  64.981  11.564  -6.390
  426   HD13  ILE  50           HD3      ILE  50  65.151  13.268  -6.941
  427    H    ASN  51           HN       ASN  51  63.646  10.486  -1.492
  428    HA   ASN  51           HA       ASN  51  66.322  11.387  -1.246
  429    HB2  ASN  51           HB2      ASN  51  64.501  11.978   0.374
  430    HB3  ASN  51           HB1      ASN  51  64.348  10.261   0.849
  431   HD21  ASN  51          HD21      ASN  51  67.797  12.422   1.939
  432   HD22  ASN  51          HD22      ASN  51  66.992  12.769   0.445
  433    H    HIS  52           HN       HIS  52  65.097   8.552   0.544
  434    HA   HIS  52           HA       HIS  52  66.944   6.759  -0.826
  435    HB2  HIS  52           HB2      HIS  52  66.841   7.205   2.236
  436    HB3  HIS  52           HB1      HIS  52  67.641   5.813   1.424
  437    HD1  HIS  52           HD1      HIS  52  68.058   9.551   1.900
  438    HD2  HIS  52           HD2      HIS  52  70.161   6.289   0.301
  439    HE1  HIS  52           HE1      HIS  52  70.415  10.340   1.411
  440    HE2  HIS  52           HE2      HIS  52  71.646   8.347   0.444
  441    H    ILE  53           HN       ILE  53  64.213   7.628   1.200
  442    HA   ILE  53           HA       ILE  53  62.970   5.000   0.833
  443    HB   ILE  53           HB       ILE  53  61.922   5.363   3.078
  444   HG12  ILE  53          HG12      ILE  53  64.282   7.323   3.499
  445   HG13  ILE  53          HG11      ILE  53  62.580   7.835   3.213
  446   HG21  ILE  53          HG21      ILE  53  64.964   4.865   2.965
  447   HG22  ILE  53          HG22      ILE  53  63.672   3.663   2.583
  448   HG23  ILE  53          HG23      ILE  53  63.831   4.310   4.250
  449   HD11  ILE  53           HD1      ILE  53  61.884   6.395   5.160
  450   HD12  ILE  53           HD2      ILE  53  62.899   7.825   5.617
  451   HD13  ILE  53           HD3      ILE  53  63.621   6.169   5.588
  452    H    VAL  54           HN       VAL  54  60.520   5.415   1.518
  453    HA   VAL  54           HA       VAL  54  59.603   7.248  -0.434
  454    HB   VAL  54           HB       VAL  54  58.728   4.944  -0.006
  455   HG11  VAL  54          HG11      VAL  54  57.123   4.538   1.812
  456   HG12  VAL  54          HG12      VAL  54  57.294   6.219   2.422
  457   HG13  VAL  54          HG13      VAL  54  58.685   5.074   2.525
  458   HG21  VAL  54          HG21      VAL  54  57.490   6.491  -1.425
  459   HG22  VAL  54          HG22      VAL  54  56.630   7.184   0.010
  460   HG23  VAL  54          HG23      VAL  54  56.369   5.470  -0.462
  461    H    VAL  55           HN       VAL  55  58.218   9.056  -0.100
  462    HA   VAL  55           HA       VAL  55  57.922  10.017   2.654
  463    HB   VAL  55           HB       VAL  55  57.877  12.337   1.770
  464   HG11  VAL  55          HG11      VAL  55  60.516  10.808   1.242
  465   HG12  VAL  55          HG12      VAL  55  59.915  11.359   2.851
  466   HG13  VAL  55          HG13      VAL  55  60.344  12.568   1.584
  467   HG21  VAL  55          HG21      VAL  55  57.327  11.845  -0.641
  468   HG22  VAL  55          HG22      VAL  55  58.943  11.070  -0.855
  469   HG23  VAL  55          HG23      VAL  55  58.822  12.825  -0.494
  470    H    LEU  56           HN       LEU  56  55.815  11.068   2.971
  471    HA   LEU  56           HA       LEU  56  53.785   9.952   1.208
  472    HB2  LEU  56           HB2      LEU  56  53.605  11.638   3.757
  473    HB3  LEU  56           HB1      LEU  56  52.173  11.066   2.840
  474    HG   LEU  56           HG       LEU  56  54.264   9.128   3.985
  475   HD11  LEU  56          HD11      LEU  56  51.685  10.126   5.354
  476   HD12  LEU  56          HD12      LEU  56  53.376  10.495   5.865
  477   HD13  LEU  56          HD13      LEU  56  52.759   8.803   5.943
  478   HD21  LEU  56          HD21      LEU  56  51.334   8.732   3.105
  479   HD22  LEU  56          HD22      LEU  56  52.376   7.488   3.887
  480   HD23  LEU  56          HD23      LEU  56  52.810   8.128   2.259
  481    H    ALA  57           HN       ALA  57  52.322  11.280   0.038
  482    HA   ALA  57           HA       ALA  57  53.100  14.094  -0.286
  483    HB1  ALA  57           HB1      ALA  57  52.655  12.058  -2.567
  484    HB2  ALA  57           HB2      ALA  57  54.213  12.842  -2.147
  485    HB3  ALA  57           HB3      ALA  57  52.854  13.836  -2.779
  486    H    HIS  58           HN       HIS  58  51.237  14.279   1.184
  487    HA   HIS  58           HA       HIS  58  48.668  13.528   0.094
  488    HB2  HIS  58           HB2      HIS  58  49.008  13.433   2.563
  489    HB3  HIS  58           HB1      HIS  58  49.415  15.179   2.578
  490    HD1  HIS  58           HD1      HIS  58  46.474  12.981   1.428
  491    HD2  HIS  58           HD2      HIS  58  47.203  16.783   3.051
  492    HE1  HIS  58           HE1      HIS  58  44.223  14.076   1.823
  493    HE2  HIS  58           HE2      HIS  58  44.708  16.369   2.788
  494    H    HIS  59           HN       HIS  59  47.996  14.690  -1.621
  495    HA   HIS  59           HA       HIS  59  48.573  17.575  -1.715
  496    HB2  HIS  59           HB2      HIS  59  48.014  15.557  -3.963
  497    HB3  HIS  59           HB1      HIS  59  48.214  17.334  -4.193
  498    HD1  HIS  59           HD1      HIS  59  50.109  15.387  -5.607
  499    HD2  HIS  59           HD2      HIS  59  50.958  17.130  -1.884
  500    HE1  HIS  59           HE1      HIS  59  52.628  15.404  -5.340
  501    HE2  HIS  59           HE2      HIS  59  53.098  16.475  -3.090
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  42.385 -16.011 -20.815
    2    H2   MET   1           HT2      MET   1  43.241 -15.273 -19.545
    3    H3   MET   1           HT3      MET   1  43.088 -14.479 -21.039
    4    HA   MET   1           HA       MET   1  40.756 -14.268 -20.759
    5    HB2  MET   1           HB2      MET   1  41.259 -15.706 -18.068
    6    HB3  MET   1           HB1      MET   1  39.771 -14.764 -18.428
    7    HG2  MET   1           HG2      MET   1  39.185 -16.986 -18.746
    8    HG3  MET   1           HG1      MET   1  39.277 -16.258 -20.371
    9    HE1  MET   1           HE1      MET   1  39.721 -17.912 -22.109
   10    HE2  MET   1           HE2      MET   1  41.391 -18.522 -22.363
   11    HE3  MET   1           HE3      MET   1  41.102 -16.763 -22.142
   12    H    LEU   2           HN       LEU   2  41.581 -13.892 -17.360
   13    HA   LEU   2           HA       LEU   2  42.034 -11.032 -17.763
   14    HB2  LEU   2           HB2      LEU   2  41.358 -12.775 -15.332
   15    HB3  LEU   2           HB1      LEU   2  42.023 -11.124 -15.132
   16    HG   LEU   2           HG       LEU   2  40.166 -10.162 -16.442
   17   HD11  LEU   2          HD11      LEU   2  38.902 -12.978 -16.281
   18   HD12  LEU   2          HD12      LEU   2  39.323 -12.063 -17.780
   19   HD13  LEU   2          HD13      LEU   2  38.017 -11.464 -16.703
   20   HD21  LEU   2          HD21      LEU   2  39.343 -11.758 -13.933
   21   HD22  LEU   2          HD22      LEU   2  38.509 -10.297 -14.585
   22   HD23  LEU   2          HD23      LEU   2  40.195 -10.169 -13.958
   23    H    LYS   3           HN       LYS   3  43.782 -10.095 -16.308
   24    HA   LYS   3           HA       LYS   3  46.192 -11.723 -16.558
   25    HB2  LYS   3           HB2      LYS   3  46.052  -9.269 -17.340
   26    HB3  LYS   3           HB1      LYS   3  46.062  -8.803 -15.619
   27    HG2  LYS   3           HG2      LYS   3  48.198 -10.456 -17.133
   28    HG3  LYS   3           HG1      LYS   3  48.298  -8.699 -16.800
   29    HD2  LYS   3           HD2      LYS   3  48.379 -10.952 -14.690
   30    HD3  LYS   3           HD1      LYS   3  49.772 -10.042 -15.326
   31    HE2  LYS   3           HE2      LYS   3  47.446  -8.774 -13.714
   32    HE3  LYS   3           HE1      LYS   3  49.069  -9.226 -13.065
   33    HZ1  LYS   3           HZ1      LYS   3  50.065  -7.681 -14.600
   34    HZ2  LYS   3           HZ2      LYS   3  48.924  -6.910 -13.607
   35    HZ3  LYS   3           HZ3      LYS   3  48.544  -7.256 -15.226
   36    H    ASP   4           HN       ASP   4  46.233 -13.167 -14.906
   37    HA   ASP   4           HA       ASP   4  46.453 -12.070 -12.226
   38    HB2  ASP   4           HB2      ASP   4  44.809 -14.598 -12.944
   39    HB3  ASP   4           HB1      ASP   4  45.281 -14.127 -11.268
   40    H    TYR   5           HN       TYR   5  47.529 -13.945 -10.886
   41    HA   TYR   5           HA       TYR   5  49.361 -15.471 -12.625
   42    HB2  TYR   5           HB2      TYR   5  50.040 -14.220  -9.936
   43    HB3  TYR   5           HB1      TYR   5  51.151 -15.194 -10.977
   44    HD1  TYR   5           HD1      TYR   5  50.511 -11.958  -9.971
   45    HD2  TYR   5           HD2      TYR   5  51.086 -14.201 -13.598
   46    HE1  TYR   5           HE1      TYR   5  51.288  -9.917 -11.110
   47    HE2  TYR   5           HE2      TYR   5  51.863 -12.165 -14.736
   48    HH   TYR   5           HH       TYR   5  52.324  -9.969 -14.553
   49    H    HIS   6           HN       HIS   6  50.186 -16.304  -9.701
   50    HA   HIS   6           HA       HIS   6  48.435 -18.594  -9.574
   51    HB2  HIS   6           HB2      HIS   6  50.887 -17.724  -7.999
   52    HB3  HIS   6           HB1      HIS   6  50.043 -19.282  -7.735
   53    HD1  HIS   6           HD1      HIS   6  49.848 -20.695 -10.200
   54    HD2  HIS   6           HD2      HIS   6  52.979 -17.931  -9.770
   55    HE1  HIS   6           HE1      HIS   6  51.604 -21.269 -11.933
   56    HE2  HIS   6           HE2      HIS   6  53.469 -19.578 -11.645
   57    H    LEU   7           HN       LEU   7  47.943 -15.497  -8.554
   58    HA   LEU   7           HA       LEU   7  47.673 -15.838  -5.787
   59    HB2  LEU   7           HB2      LEU   7  46.573 -13.717  -7.723
   60    HB3  LEU   7           HB1      LEU   7  46.155 -13.714  -5.978
   61    HG   LEU   7           HG       LEU   7  48.580 -13.583  -5.381
   62   HD11  LEU   7          HD11      LEU   7  48.992 -13.003  -8.384
   63   HD12  LEU   7          HD12      LEU   7  49.714 -14.368  -7.445
   64   HD13  LEU   7          HD13      LEU   7  50.197 -12.676  -7.083
   65   HD21  LEU   7          HD21      LEU   7  47.439 -11.289  -7.095
   66   HD22  LEU   7          HD22      LEU   7  48.722 -11.138  -5.834
   67   HD23  LEU   7          HD23      LEU   7  47.049 -11.625  -5.365
   68    H    LYS   8           HN       LYS   8  46.012 -16.492  -4.551
   69    HA   LYS   8           HA       LYS   8  43.790 -17.765  -5.927
   70    HB2  LYS   8           HB2      LYS   8  45.195 -19.131  -4.366
   71    HB3  LYS   8           HB1      LYS   8  44.855 -17.972  -3.044
   72    HG2  LYS   8           HG2      LYS   8  43.499 -19.980  -2.773
   73    HG3  LYS   8           HG1      LYS   8  42.427 -18.586  -3.123
   74    HD2  LYS   8           HD2      LYS   8  42.240 -19.360  -5.524
   75    HD3  LYS   8           HD1      LYS   8  43.352 -20.722  -5.153
   76    HE2  LYS   8           HE2      LYS   8  41.003 -21.516  -5.168
   77    HE3  LYS   8           HE1      LYS   8  41.668 -21.623  -3.487
   78    HZ1  LYS   8           HZ1      LYS   8  40.563 -19.547  -2.984
   79    HZ2  LYS   8           HZ2      LYS   8  39.459 -20.716  -3.533
   80    HZ3  LYS   8           HZ3      LYS   8  39.941 -19.453  -4.561
   81    H    GLU   9           HN       GLU   9  44.588 -15.431  -3.255
   82    HA   GLU   9           HA       GLU   9  41.772 -14.783  -2.987
   83    HB2  GLU   9           HB2      GLU   9  42.506 -13.411  -1.044
   84    HB3  GLU   9           HB1      GLU   9  42.883 -15.157  -0.868
   85    HG2  GLU   9           HG2      GLU   9  45.264 -14.758  -1.478
   86    HG3  GLU   9           HG1      GLU   9  44.922 -13.011  -1.755
   87    H    MET  10           HN       MET  10  41.070 -12.609  -3.302
   88    HA   MET  10           HA       MET  10  42.990 -10.834  -4.635
   89    HB2  MET  10           HB2      MET  10  40.080 -11.349  -5.427
   90    HB3  MET  10           HB1      MET  10  41.041  -9.920  -5.942
   91    HG2  MET  10           HG2      MET  10  41.270 -11.304  -7.767
   92    HG3  MET  10           HG1      MET  10  42.790 -11.554  -6.853
   93    HE1  MET  10           HE1      MET  10  42.200 -13.327  -9.173
   94    HE2  MET  10           HE2      MET  10  42.508 -14.972  -8.518
   95    HE3  MET  10           HE3      MET  10  43.552 -13.599  -8.020
   96    HA   PRO  11           HA       PRO  11  41.094  -9.038  -0.918
   97    HB2  PRO  11           HB2      PRO  11  43.325  -7.474  -0.118
   98    HB3  PRO  11           HB1      PRO  11  43.040  -9.196   0.338
   99    HG2  PRO  11           HG1      PRO  11  44.759  -8.123  -1.952
  100    HG3  PRO  11           HG2      PRO  11  45.172  -9.406  -0.737
  101    HD2  PRO  11           HD1      PRO  11  44.296 -10.092  -3.249
  102    HD3  PRO  11           HD2      PRO  11  43.673 -10.999  -1.823
  103    H    GLU  12           HN       GLU  12  43.131  -7.256  -3.294
  104    HA   GLU  12           HA       GLU  12  42.967  -5.387  -4.319
  105    HB2  GLU  12           HB2      GLU  12  39.928  -5.668  -4.099
  106    HB3  GLU  12           HB1      GLU  12  40.830  -4.695  -5.312
  107    HG2  GLU  12           HG2      GLU  12  40.817  -7.771  -5.031
  108    HG3  GLU  12           HG1      GLU  12  40.012  -6.800  -6.311
  109    H    MET  13           HN       MET  13  43.631  -4.851  -1.749
  110    HA   MET  13           HA       MET  13  41.975  -2.575  -0.926
  111    HB2  MET  13           HB2      MET  13  44.313  -3.934   0.522
  112    HB3  MET  13           HB1      MET  13  43.308  -2.580   1.149
  113    HG2  MET  13           HG2      MET  13  41.274  -4.102   0.981
  114    HG3  MET  13           HG1      MET  13  42.362  -5.434   0.492
  115    HE1  MET  13           HE1      MET  13  41.960  -3.411   4.665
  116    HE2  MET  13           HE2      MET  13  40.807  -3.319   3.292
  117    HE3  MET  13           HE3      MET  13  42.394  -2.486   3.190
  118    H    GLU  14           HN       GLU  14  43.219  -0.558  -0.292
  119    HA   GLU  14           HA       GLU  14  45.716  -0.171  -1.689
  120    HB2  GLU  14           HB2      GLU  14  44.865   1.538  -3.226
  121    HB3  GLU  14           HB1      GLU  14  43.958   0.013  -3.498
  122    HG2  GLU  14           HG2      GLU  14  42.009   0.885  -2.197
  123    HG3  GLU  14           HG1      GLU  14  42.886   2.422  -1.871
  124    H    ASP  15           HN       ASP  15  43.128   0.783   0.440
  125    HA   ASP  15           HA       ASP  15  44.478   3.240   1.164
  126    HB2  ASP  15           HB2      ASP  15  42.725   3.746   2.651
  127    HB3  ASP  15           HB1      ASP  15  42.009   3.259   1.084
  128    H    GLU  16           HN       GLU  16  44.348  -0.105   2.035
  129    HA   GLU  16           HA       GLU  16  45.525  -0.106   4.555
  130    HB2  GLU  16           HB2      GLU  16  44.576  -2.125   3.429
  131    HB3  GLU  16           HB1      GLU  16  45.823  -2.003   2.147
  132    HG2  GLU  16           HG2      GLU  16  47.617  -2.460   3.898
  133    HG3  GLU  16           HG1      GLU  16  46.322  -2.600   5.144
  134    H    PHE  17           HN       PHE  17  46.869   0.007   1.211
  135    HA   PHE  17           HA       PHE  17  49.558   0.083   1.839
  136    HB2  PHE  17           HB2      PHE  17  48.662  -0.373  -0.446
  137    HB3  PHE  17           HB1      PHE  17  48.017   1.288  -0.542
  138    HD1  PHE  17           HD1      PHE  17  49.458   3.176  -1.001
  139    HD2  PHE  17           HD2      PHE  17  51.092  -0.763  -0.559
  140    HE1  PHE  17           HE1      PHE  17  51.613   3.959  -1.955
  141    HE2  PHE  17           HE2      PHE  17  53.212  -0.005  -1.575
  142    HZ   PHE  17           HZ       PHE  17  53.504   2.375  -2.179
  143    H    LEU  18           HN       LEU  18  47.116   2.724   1.607
  144    HA   LEU  18           HA       LEU  18  48.978   4.812   1.683
  145    HB2  LEU  18           HB2      LEU  18  45.971   4.551   2.069
  146    HB3  LEU  18           HB1      LEU  18  46.720   6.130   2.352
  147    HG   LEU  18           HG       LEU  18  47.003   4.518  -0.252
  148   HD11  LEU  18          HD11      LEU  18  44.629   5.174   0.106
  149   HD12  LEU  18          HD12      LEU  18  45.364   6.092  -1.259
  150   HD13  LEU  18          HD13      LEU  18  45.125   6.892   0.341
  151   HD21  LEU  18          HD21      LEU  18  48.887   6.118   0.041
  152   HD22  LEU  18          HD22      LEU  18  47.722   7.459   0.355
  153   HD23  LEU  18          HD23      LEU  18  47.785   6.666  -1.263
  154    H    GLU  19           HN       GLU  19  47.643   2.858   4.313
  155    HA   GLU  19           HA       GLU  19  48.306   4.946   6.266
  156    HB2  GLU  19           HB2      GLU  19  46.975   2.192   6.553
  157    HB3  GLU  19           HB1      GLU  19  47.294   3.342   7.907
  158    HG2  GLU  19           HG2      GLU  19  45.870   5.067   6.753
  159    HG3  GLU  19           HG1      GLU  19  45.448   3.881   5.481
  160    H    TYR  20           HN       TYR  20  49.495   2.046   4.771
  161    HA   TYR  20           HA       TYR  20  51.204   1.172   6.898
  162    HB2  TYR  20           HB2      TYR  20  50.812   0.557   3.906
  163    HB3  TYR  20           HB1      TYR  20  52.207  -0.104   4.714
  164    HD1  TYR  20           HD1      TYR  20  48.972   0.136   6.603
  165    HD2  TYR  20           HD2      TYR  20  51.765  -2.338   4.493
  166    HE1  TYR  20           HE1      TYR  20  47.875  -1.868   7.523
  167    HE2  TYR  20           HE2      TYR  20  50.671  -4.361   5.401
  168    HH   TYR  20           HH       TYR  20  49.011  -5.178   6.688
  169    H    CYS  21           HN       CYS  21  51.306   3.267   4.142
  170    HA   CYS  21           HA       CYS  21  54.080   3.149   3.833
  171    HB2  CYS  21           HB2      CYS  21  52.070   5.171   2.726
  172    HB3  CYS  21           HB1      CYS  21  53.823   5.350   2.421
  173    HG   CYS  21           HG1      CYS  21  52.743   4.319   0.349
  174    H    ALA  22           HN       ALA  22  52.279   4.606   6.250
  175    HA   ALA  22           HA       ALA  22  53.791   6.920   6.833
  176    HB1  ALA  22           HB1      ALA  22  52.606   6.797   9.032
  177    HB2  ALA  22           HB2      ALA  22  52.044   5.125   8.629
  178    HB3  ALA  22           HB3      ALA  22  51.459   6.528   7.665
  179    H    LYS  23           HN       LYS  23  54.438   3.550   7.015
  180    HA   LYS  23           HA       LYS  23  56.661   3.861   8.864
  181    HB2  LYS  23           HB2      LYS  23  55.302   1.701   8.958
  182    HB3  LYS  23           HB1      LYS  23  55.759   1.395   7.258
  183    HG2  LYS  23           HG2      LYS  23  58.259   1.588   8.127
  184    HG3  LYS  23           HG1      LYS  23  57.541   1.512   9.766
  185    HD2  LYS  23           HD2      LYS  23  58.274  -0.693   9.195
  186    HD3  LYS  23           HD1      LYS  23  56.477  -0.726   9.097
  187    HE2  LYS  23           HE2      LYS  23  56.614  -0.585   6.581
  188    HE3  LYS  23           HE1      LYS  23  58.415  -0.436   6.684
  189    HZ1  LYS  23           HZ1      LYS  23  58.488  -2.614   7.682
  190    HZ2  LYS  23           HZ2      LYS  23  57.723  -2.656   6.168
  191    HZ3  LYS  23           HZ3      LYS  23  56.799  -2.759   7.590
  192    H    ASN  24           HN       ASN  24  57.539   5.478   7.558
  193    HA   ASN  24           HA       ASN  24  58.224   5.211   4.891
  194    HB2  ASN  24           HB2      ASN  24  59.507   7.016   7.013
  195    HB3  ASN  24           HB1      ASN  24  59.761   7.151   5.240
  196   HD21  ASN  24          HD21      ASN  24  56.493   8.881   6.942
  197   HD22  ASN  24          HD22      ASN  24  57.839   8.258   7.837
  198    HA   PRO  25           HA       PRO  25  62.565   3.645   6.154
  199    HB2  PRO  25           HB2      PRO  25  62.543   2.016   8.535
  200    HB3  PRO  25           HB1      PRO  25  63.236   3.691   8.407
  201    HG2  PRO  25           HG1      PRO  25  60.454   2.844   9.358
  202    HG3  PRO  25           HG2      PRO  25  61.569   4.074  10.093
  203    HD2  PRO  25           HD1      PRO  25  59.495   4.875   8.511
  204    HD3  PRO  25           HD2      PRO  25  61.126   5.642   8.266
  205    H    SER  26           HN       SER  26  63.129   1.670   5.210
  206    HA   SER  26           HA       SER  26  62.846  -0.192   4.190
  207    HB2  SER  26           HB2      SER  26  61.236  -0.933   6.684
  208    HB3  SER  26           HB1      SER  26  61.602  -2.119   5.353
  209    HG   SER  26           HG1      SER  26  63.097  -2.182   7.025
  210    H    TYR  27           HN       TYR  27  61.758   1.432   2.799
  211    HA   TYR  27           HA       TYR  27  58.953   1.358   2.505
  212    HB2  TYR  27           HB2      TYR  27  59.217   2.813   0.699
  213    HB3  TYR  27           HB1      TYR  27  60.504   3.317   1.856
  214    HD1  TYR  27           HD1      TYR  27  59.848   3.225  -1.437
  215    HD2  TYR  27           HD2      TYR  27  62.806   1.581   1.220
  216    HE1  TYR  27           HE1      TYR  27  61.370   2.909  -3.332
  217    HE2  TYR  27           HE2      TYR  27  64.350   1.298  -0.669
  218    HH   TYR  27           HH       TYR  27  63.399   2.192  -4.021
  219    H    GLU  28           HN       GLU  28  61.628  -0.437   1.472
  220    HA   GLU  28           HA       GLU  28  60.823  -1.673  -0.853
  221    HB2  GLU  28           HB2      GLU  28  62.543  -3.483   0.032
  222    HB3  GLU  28           HB1      GLU  28  63.112  -1.840  -0.400
  223    HG2  GLU  28           HG2      GLU  28  63.190  -1.102   1.921
  224    HG3  GLU  28           HG1      GLU  28  62.444  -2.624   2.516
  225    H    GLU  29           HN       GLU  29  60.132  -2.396   2.609
  226    HA   GLU  29           HA       GLU  29  58.970  -4.933   2.028
  227    HB2  GLU  29           HB2      GLU  29  58.820  -3.086   4.460
  228    HB3  GLU  29           HB1      GLU  29  57.990  -4.684   4.373
  229    HG2  GLU  29           HG2      GLU  29  60.137  -5.858   4.036
  230    HG3  GLU  29           HG1      GLU  29  61.036  -4.300   4.029
  231    H    ALA  30           HN       ALA  30  57.775  -1.544   2.209
  232    HA   ALA  30           HA       ALA  30  55.032  -2.377   2.121
  233    HB1  ALA  30           HB1      ALA  30  56.295   0.399   1.669
  234    HB2  ALA  30           HB2      ALA  30  55.690  -0.231   3.242
  235    HB3  ALA  30           HB3      ALA  30  54.534   0.064   1.895
  236    H    TYR  31           HN       TYR  31  57.545  -2.054  -0.235
  237    HA   TYR  31           HA       TYR  31  55.731  -1.570  -2.461
  238    HB2  TYR  31           HB2      TYR  31  57.956  -0.539  -2.690
  239    HB3  TYR  31           HB1      TYR  31  58.727  -1.969  -2.051
  240    HD1  TYR  31           HD1      TYR  31  60.350  -2.247  -3.746
  241    HD2  TYR  31           HD2      TYR  31  56.213  -1.998  -4.830
  242    HE1  TYR  31           HE1      TYR  31  60.902  -3.046  -6.014
  243    HE2  TYR  31           HE2      TYR  31  56.730  -2.865  -7.077
  244    HH   TYR  31           HH       TYR  31  58.344  -3.550  -8.494
  245    H    LEU  32           HN       LEU  32  58.040  -4.109  -1.368
  246    HA   LEU  32           HA       LEU  32  57.326  -5.833  -3.414
  247    HB2  LEU  32           HB2      LEU  32  58.844  -6.256  -0.790
  248    HB3  LEU  32           HB1      LEU  32  58.794  -7.475  -2.099
  249    HG   LEU  32           HG       LEU  32  59.795  -4.581  -2.517
  250   HD11  LEU  32          HD11      LEU  32  61.496  -7.076  -1.849
  251   HD12  LEU  32          HD12      LEU  32  61.175  -5.692  -0.738
  252   HD13  LEU  32          HD13      LEU  32  62.114  -5.429  -2.254
  253   HD21  LEU  32          HD21      LEU  32  60.231  -7.145  -4.182
  254   HD22  LEU  32          HD22      LEU  32  60.963  -5.529  -4.506
  255   HD23  LEU  32          HD23      LEU  32  59.181  -5.744  -4.622
  256    H    LYS  33           HN       LYS  33  56.071  -5.561  -0.134
  257    HA   LYS  33           HA       LYS  33  54.852  -8.073   0.102
  258    HB2  LYS  33           HB2      LYS  33  55.097  -6.454   2.032
  259    HB3  LYS  33           HB1      LYS  33  53.976  -5.343   1.227
  260    HG2  LYS  33           HG2      LYS  33  52.674  -7.966   1.493
  261    HG3  LYS  33           HG1      LYS  33  53.389  -7.496   3.068
  262    HD2  LYS  33           HD2      LYS  33  52.213  -5.348   3.051
  263    HD3  LYS  33           HD1      LYS  33  51.651  -5.636   1.359
  264    HE2  LYS  33           HE2      LYS  33  50.157  -7.411   2.025
  265    HE3  LYS  33           HE1      LYS  33  50.765  -7.388   3.741
  266    HZ1  LYS  33           HZ1      LYS  33  49.915  -5.148   3.928
  267    HZ2  LYS  33           HZ2      LYS  33  48.687  -6.230   3.477
  268    HZ3  LYS  33           HZ3      LYS  33  49.359  -5.181   2.325
  269    H    PHE  34           HN       PHE  34  53.688  -4.908  -1.139
  270    HA   PHE  34           HA       PHE  34  51.121  -5.910  -1.915
  271    HB2  PHE  34           HB2      PHE  34  52.604  -3.222  -2.311
  272    HB3  PHE  34           HB1      PHE  34  50.965  -3.531  -2.975
  273    HD1  PHE  34           HD1      PHE  34  49.028  -3.372  -1.545
  274    HD2  PHE  34           HD2      PHE  34  52.966  -3.413   0.160
  275    HE1  PHE  34           HE1      PHE  34  48.090  -2.753   0.664
  276    HE2  PHE  34           HE2      PHE  34  52.042  -2.834   2.353
  277    HZ   PHE  34           HZ       PHE  34  49.604  -2.428   2.614
  278    H    GLY  35           HN       GLY  35  53.301  -3.966  -3.978
  279    HA2  GLY  35           HA2      GLY  35  54.609  -5.559  -5.484
  280    HA3  GLY  35           HA1      GLY  35  52.960  -5.777  -6.206
  281    H    ASP  36           HN       ASP  36  52.536  -4.468  -7.846
  282    HA   ASP  36           HA       ASP  36  54.212  -2.282  -8.420
  283    HB2  ASP  36           HB2      ASP  36  52.696  -1.972 -10.436
  284    HB3  ASP  36           HB1      ASP  36  53.428  -3.596 -10.256
  285    H    LYS  37           HN       LYS  37  51.886  -2.371  -6.129
  286    HA   LYS  37           HA       LYS  37  50.288  -0.163  -6.551
  287    HB2  LYS  37           HB2      LYS  37  49.909  -2.019  -4.893
  288    HB3  LYS  37           HB1      LYS  37  51.245  -1.349  -3.922
  289    HG2  LYS  37           HG2      LYS  37  49.071  -0.681  -2.998
  290    HG3  LYS  37           HG1      LYS  37  50.001   0.746  -3.557
  291    HD2  LYS  37           HD2      LYS  37  47.700   1.085  -4.030
  292    HD3  LYS  37           HD1      LYS  37  48.545   0.913  -5.598
  293    HE2  LYS  37           HE2      LYS  37  46.963  -1.380  -4.217
  294    HE3  LYS  37           HE1      LYS  37  46.223  -0.203  -5.373
  295    HZ1  LYS  37           HZ1      LYS  37  48.470  -2.044  -5.985
  296    HZ2  LYS  37           HZ2      LYS  37  47.762  -0.929  -7.052
  297    HZ3  LYS  37           HZ3      LYS  37  46.846  -2.227  -6.451
  298    H    LEU  38           HN       LEU  38  53.555  -0.496  -5.068
  299    HA   LEU  38           HA       LEU  38  53.574   2.270  -4.222
  300    HB2  LEU  38           HB2      LEU  38  54.834   0.366  -2.951
  301    HB3  LEU  38           HB1      LEU  38  55.911   0.247  -4.304
  302    HG   LEU  38           HG       LEU  38  55.598   3.028  -3.209
  303   HD11  LEU  38          HD11      LEU  38  55.407   1.763  -1.078
  304   HD12  LEU  38          HD12      LEU  38  56.959   2.672  -1.179
  305   HD13  LEU  38          HD13      LEU  38  56.938   0.892  -1.441
  306   HD21  LEU  38          HD21      LEU  38  57.305   2.461  -4.927
  307   HD22  LEU  38          HD22      LEU  38  58.065   1.275  -3.799
  308   HD23  LEU  38          HD23      LEU  38  58.088   3.040  -3.406
  309    H    LEU  39           HN       LEU  39  54.413   0.528  -7.157
  310    HA   LEU  39           HA       LEU  39  56.208   2.502  -8.110
  311    HB2  LEU  39           HB2      LEU  39  54.555   0.452  -9.668
  312    HB3  LEU  39           HB1      LEU  39  55.925   1.416 -10.313
  313    HG   LEU  39           HG       LEU  39  56.055  -0.684  -8.061
  314   HD11  LEU  39          HD11      LEU  39  55.658  -1.645 -10.320
  315   HD12  LEU  39          HD12      LEU  39  57.307  -2.056  -9.707
  316   HD13  LEU  39          HD13      LEU  39  57.101  -0.765 -10.955
  317   HD21  LEU  39          HD21      LEU  39  58.556  -0.471  -8.254
  318   HD22  LEU  39          HD22      LEU  39  57.791   1.028  -7.626
  319   HD23  LEU  39          HD23      LEU  39  58.342   0.948  -9.344
  320    H    GLU  40           HN       GLU  40  52.708   1.814  -8.698
  321    HA   GLU  40           HA       GLU  40  52.396   3.918 -10.547
  322    HB2  GLU  40           HB2      GLU  40  49.943   3.502 -10.258
  323    HB3  GLU  40           HB1      GLU  40  50.879   2.013 -10.654
  324    HG2  GLU  40           HG2      GLU  40  50.832   1.384  -8.210
  325    HG3  GLU  40           HG1      GLU  40  49.882   2.836  -7.844
  326    H    TYR  41           HN       TYR  41  51.974   3.719  -6.999
  327    HA   TYR  41           HA       TYR  41  50.466   6.146  -6.870
  328    HB2  TYR  41           HB2      TYR  41  51.591   4.093  -4.905
  329    HB3  TYR  41           HB1      TYR  41  51.241   5.688  -4.256
  330    HD1  TYR  41           HD1      TYR  41  49.612   4.760  -2.769
  331    HD2  TYR  41           HD2      TYR  41  48.962   4.517  -7.027
  332    HE1  TYR  41           HE1      TYR  41  47.250   4.195  -2.397
  333    HE2  TYR  41           HE2      TYR  41  46.625   3.989  -6.643
  334    HH   TYR  41           HH       TYR  41  44.991   3.657  -5.134
  335    H    GLU  42           HN       GLU  42  53.806   5.251  -6.950
  336    HA   GLU  42           HA       GLU  42  54.847   7.665  -5.837
  337    HB2  GLU  42           HB2      GLU  42  56.147   5.517  -6.032
  338    HB3  GLU  42           HB1      GLU  42  56.168   5.715  -7.813
  339    HG2  GLU  42           HG2      GLU  42  57.465   7.895  -7.487
  340    HG3  GLU  42           HG1      GLU  42  57.439   7.596  -5.707
  341    H    LEU  43           HN       LEU  43  54.112   6.418  -9.109
  342    HA   LEU  43           HA       LEU  43  54.893   8.739 -10.516
  343    HB2  LEU  43           HB2      LEU  43  53.087   6.351 -11.189
  344    HB3  LEU  43           HB1      LEU  43  53.515   7.595 -12.400
  345    HG   LEU  43           HG       LEU  43  55.579   5.885 -10.894
  346   HD11  LEU  43          HD11      LEU  43  54.099   4.428 -12.254
  347   HD12  LEU  43          HD12      LEU  43  55.758   4.513 -12.956
  348   HD13  LEU  43          HD13      LEU  43  54.410   5.446 -13.712
  349   HD21  LEU  43          HD21      LEU  43  57.145   6.589 -12.707
  350   HD22  LEU  43          HD22      LEU  43  56.547   8.000 -11.765
  351   HD23  LEU  43          HD23      LEU  43  55.869   7.657 -13.402
  352    H    LEU  44           HN       LEU  44  52.047   7.920  -8.651
  353    HA   LEU  44           HA       LEU  44  50.232   9.606 -10.015
  354    HB2  LEU  44           HB2      LEU  44  49.786   7.535  -8.493
  355    HB3  LEU  44           HB1      LEU  44  49.919   8.659  -7.140
  356    HG   LEU  44           HG       LEU  44  47.634   8.238  -7.654
  357   HD11  LEU  44          HD11      LEU  44  48.246  10.970  -8.902
  358   HD12  LEU  44          HD12      LEU  44  48.216  10.596  -7.135
  359   HD13  LEU  44          HD13      LEU  44  46.698  10.451  -8.119
  360   HD21  LEU  44          HD21      LEU  44  47.945   7.309  -9.923
  361   HD22  LEU  44          HD22      LEU  44  48.144   8.970 -10.604
  362   HD23  LEU  44          HD23      LEU  44  46.572   8.482  -9.865
  363    H    GLY  45           HN       GLY  45  51.395   9.817  -6.591
  364    HA2  GLY  45           HA2      GLY  45  52.776  11.842  -6.174
  365    HA3  GLY  45           HA1      GLY  45  51.319  12.736  -6.780
  366    H    LYS  46           HN       LYS  46  50.961   9.669  -5.112
  367    HA   LYS  46           HA       LYS  46  49.504  10.941  -2.959
  368    HB2  LYS  46           HB2      LYS  46  49.953   8.032  -3.715
  369    HB3  LYS  46           HB1      LYS  46  49.022   8.581  -2.271
  370    HG2  LYS  46           HG2      LYS  46  47.537   9.938  -3.767
  371    HG3  LYS  46           HG1      LYS  46  48.384   9.274  -5.208
  372    HD2  LYS  46           HD2      LYS  46  47.621   7.000  -4.669
  373    HD3  LYS  46           HD1      LYS  46  46.926   7.564  -3.102
  374    HE2  LYS  46           HE2      LYS  46  45.342   9.066  -4.327
  375    HE3  LYS  46           HE1      LYS  46  45.996   8.475  -5.909
  376    HZ1  LYS  46           HZ1      LYS  46  43.985   7.335  -5.293
  377    HZ2  LYS  46           HZ2      LYS  46  44.665   6.815  -3.826
  378    HZ3  LYS  46           HZ3      LYS  46  45.292   6.250  -5.299
  379    H    ILE  47           HN       ILE  47  52.160   8.595  -3.475
  380    HA   ILE  47           HA       ILE  47  53.566   9.475  -1.043
  381    HB   ILE  47           HB       ILE  47  54.997   7.490  -1.491
  382   HG12  ILE  47          HG12      ILE  47  52.803   6.305  -3.187
  383   HG13  ILE  47          HG11      ILE  47  53.834   7.492  -4.022
  384   HG21  ILE  47          HG21      ILE  47  53.381   5.874  -0.537
  385   HG22  ILE  47          HG22      ILE  47  51.999   6.939  -0.988
  386   HG23  ILE  47          HG23      ILE  47  53.205   7.493   0.236
  387   HD11  ILE  47           HD1      ILE  47  54.870   5.103  -2.493
  388   HD12  ILE  47           HD2      ILE  47  55.883   6.242  -3.449
  389   HD13  ILE  47           HD3      ILE  47  54.688   5.160  -4.276
  390    H    LYS  48           HN       LYS  48  56.086   9.401  -1.612
  391    HA   LYS  48           HA       LYS  48  56.635   9.537  -4.401
  392    HB2  LYS  48           HB2      LYS  48  57.733  11.712  -2.467
  393    HB3  LYS  48           HB1      LYS  48  58.222  11.543  -4.183
  394    HG2  LYS  48           HG2      LYS  48  55.928  12.176  -4.915
  395    HG3  LYS  48           HG1      LYS  48  55.424  12.374  -3.199
  396    HD2  LYS  48           HD2      LYS  48  57.654  13.977  -4.590
  397    HD3  LYS  48           HD1      LYS  48  55.960  14.533  -4.327
  398    HE2  LYS  48           HE2      LYS  48  56.296  14.348  -1.824
  399    HE3  LYS  48           HE1      LYS  48  58.020  13.868  -2.111
  400    HZ1  LYS  48           HZ1      LYS  48  56.751  16.421  -2.948
  401    HZ2  LYS  48           HZ2      LYS  48  58.365  15.968  -3.215
  402    HZ3  LYS  48           HZ3      LYS  48  57.798  16.193  -1.630
  403    H    ARG  49           HN       ARG  49  59.098   9.356  -4.679
  404    HA   ARG  49           HA       ARG  49  60.526   8.606  -2.282
  405    HB2  ARG  49           HB2      ARG  49  59.573   6.426  -3.055
  406    HB3  ARG  49           HB1      ARG  49  60.335   6.658  -4.660
  407    HG2  ARG  49           HG2      ARG  49  62.065   6.745  -2.130
  408    HG3  ARG  49           HG1      ARG  49  61.415   5.181  -2.711
  409    HD2  ARG  49           HD2      ARG  49  62.524   5.499  -4.938
  410    HD3  ARG  49           HD1      ARG  49  63.217   7.074  -4.362
  411    HE   ARG  49           HE       ARG  49  63.787   4.752  -2.609
  412   HH11  ARG  49          HH11      ARG  49  65.975   3.954  -2.563
  413   HH12  ARG  49          HH12      ARG  49  67.133   4.507  -3.727
  414   HH21  ARG  49          HH21      ARG  49  64.884   6.669  -5.429
  415   HH22  ARG  49          HH22      ARG  49  66.506   6.068  -5.372
  416    H    ILE  50           HN       ILE  50  62.665   9.341  -2.544
  417    HA   ILE  50           HA       ILE  50  63.622   9.908  -5.198
  418    HB   ILE  50           HB       ILE  50  62.293  11.897  -4.774
  419   HG12  ILE  50          HG12      ILE  50  65.286  12.573  -4.563
  420   HG13  ILE  50          HG11      ILE  50  64.515  11.885  -6.034
  421   HG21  ILE  50          HG21      ILE  50  62.779  13.452  -2.925
  422   HG22  ILE  50          HG22      ILE  50  64.079  12.378  -2.299
  423   HG23  ILE  50          HG23      ILE  50  62.359  11.841  -2.249
  424   HD11  ILE  50           HD1      ILE  50  62.931  13.810  -6.132
  425   HD12  ILE  50           HD2      ILE  50  64.652  14.346  -6.234
  426   HD13  ILE  50           HD3      ILE  50  63.734  14.559  -4.696
  427    H    ASN  51           HN       ASN  51  63.931   9.809  -1.661
  428    HA   ASN  51           HA       ASN  51  66.743  10.336  -1.737
  429    HB2  ASN  51           HB2      ASN  51  64.873   9.559   0.598
  430    HB3  ASN  51           HB1      ASN  51  66.588  10.110   0.752
  431   HD21  ASN  51          HD21      ASN  51  63.641  12.857   0.654
  432   HD22  ASN  51          HD22      ASN  51  63.410  11.169   0.967
  433    H    HIS  52           HN       HIS  52  65.675   7.925   0.535
  434    HA   HIS  52           HA       HIS  52  66.947   5.771  -1.014
  435    HB2  HIS  52           HB2      HIS  52  68.393   6.439   0.935
  436    HB3  HIS  52           HB1      HIS  52  66.982   6.260   2.029
  437    HD1  HIS  52           HD1      HIS  52  68.828   4.036  -0.517
  438    HD2  HIS  52           HD2      HIS  52  66.909   3.759   3.207
  439    HE1  HIS  52           HE1      HIS  52  69.035   1.634   0.261
  440    HE2  HIS  52           HE2      HIS  52  67.857   1.508   2.501
  441    H    ILE  53           HN       ILE  53  64.368   7.078   1.023
  442    HA   ILE  53           HA       ILE  53  62.883   4.552   0.870
  443    HB   ILE  53           HB       ILE  53  61.948   5.052   3.088
  444   HG12  ILE  53          HG12      ILE  53  64.324   7.006   3.393
  445   HG13  ILE  53          HG11      ILE  53  62.628   7.524   3.088
  446   HG21  ILE  53          HG21      ILE  53  63.842   4.037   4.297
  447   HG22  ILE  53          HG22      ILE  53  64.984   4.530   2.996
  448   HG23  ILE  53          HG23      ILE  53  63.691   3.317   2.659
  449   HD11  ILE  53           HD1      ILE  53  61.893   6.236   5.107
  450   HD12  ILE  53           HD2      ILE  53  62.980   7.635   5.489
  451   HD13  ILE  53           HD3      ILE  53  63.622   5.947   5.541
  452    H    VAL  54           HN       VAL  54  60.531   5.066   1.502
  453    HA   VAL  54           HA       VAL  54  59.603   6.989  -0.366
  454    HB   VAL  54           HB       VAL  54  58.670   4.677   0.004
  455   HG11  VAL  54          HG11      VAL  54  57.342   5.905   2.516
  456   HG12  VAL  54          HG12      VAL  54  58.708   4.728   2.545
  457   HG13  VAL  54          HG13      VAL  54  57.115   4.250   1.856
  458   HG21  VAL  54          HG21      VAL  54  57.430   6.333  -1.310
  459   HG22  VAL  54          HG22      VAL  54  56.636   6.969   0.186
  460   HG23  VAL  54          HG23      VAL  54  56.319   5.288  -0.359
  461    H    VAL  55           HN       VAL  55  58.203   8.788   0.175
  462    HA   VAL  55           HA       VAL  55  58.024   9.514   3.003
  463    HB   VAL  55           HB       VAL  55  58.073  11.916   2.352
  464   HG11  VAL  55          HG11      VAL  55  60.653  10.350   1.671
  465   HG12  VAL  55          HG12      VAL  55  60.070  10.761   3.329
  466   HG13  VAL  55          HG13      VAL  55  60.544  12.072   2.186
  467   HG21  VAL  55          HG21      VAL  55  57.504  11.683  -0.090
  468   HG22  VAL  55          HG22      VAL  55  59.083  10.862  -0.386
  469   HG23  VAL  55          HG23      VAL  55  59.042  12.579   0.143
  470    H    LEU  56           HN       LEU  56  55.965  10.670   3.406
  471    HA   LEU  56           HA       LEU  56  53.898   9.991   1.452
  472    HB2  LEU  56           HB2      LEU  56  53.749  11.419   4.169
  473    HB3  LEU  56           HB1      LEU  56  52.333  11.049   3.129
  474    HG   LEU  56           HG       LEU  56  54.184   8.914   4.363
  475   HD11  LEU  56          HD11      LEU  56  53.040  10.215   6.147
  476   HD12  LEU  56          HD12      LEU  56  52.360   8.548   6.027
  477   HD13  LEU  56          HD13      LEU  56  51.446   9.945   5.346
  478   HD21  LEU  56          HD21      LEU  56  52.302   7.346   3.886
  479   HD22  LEU  56          HD22      LEU  56  53.002   8.045   2.377
  480   HD23  LEU  56          HD23      LEU  56  51.425   8.654   3.014
  481    H    ALA  57           HN       ALA  57  52.614  11.766   0.489
  482    HA   ALA  57           HA       ALA  57  54.234  14.038  -0.150
  483    HB1  ALA  57           HB1      ALA  57  52.742  13.069  -1.883
  484    HB2  ALA  57           HB2      ALA  57  52.273  14.770  -1.529
  485    HB3  ALA  57           HB3      ALA  57  51.304  13.403  -0.857
  486    H    HIS  58           HN       HIS  58  50.959  13.609   1.310
  487    HA   HIS  58           HA       HIS  58  51.724  15.468   3.428
  488    HB2  HIS  58           HB2      HIS  58  48.965  15.413   2.027
  489    HB3  HIS  58           HB1      HIS  58  49.330  16.238   3.584
  490    HD1  HIS  58           HD1      HIS  58  50.250  16.429  -0.115
  491    HD2  HIS  58           HD2      HIS  58  50.418  18.789   3.352
  492    HE1  HIS  58           HE1      HIS  58  50.968  18.754  -0.820
  493    HE2  HIS  58           HE2      HIS  58  51.063  20.142   1.298
  494    H    HIS  59           HN       HIS  59  48.931  13.422   2.379
  495    HA   HIS  59           HA       HIS  59  49.969  11.275   4.027
  496    HB2  HIS  59           HB2      HIS  59  48.151  12.225   5.476
  497    HB3  HIS  59           HB1      HIS  59  47.015  12.149   4.086
  498    HD1  HIS  59           HD1      HIS  59  49.338   9.671   5.905
  499    HD2  HIS  59           HD2      HIS  59  45.565   9.780   4.070
  500    HE1  HIS  59           HE1      HIS  59  48.319   7.362   6.139
  501    HE2  HIS  59           HE2      HIS  59  46.054   7.468   5.010
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  34.858 -14.356   7.612
    2    H2   MET   1           HT2      MET   1  33.465 -14.313   8.582
    3    H3   MET   1           HT3      MET   1  34.847 -15.145   9.117
    4    HA   MET   1           HA       MET   1  34.587 -13.078  10.240
    5    HB2  MET   1           HB2      MET   1  36.886 -13.980   9.837
    6    HB3  MET   1           HB1      MET   1  36.962 -13.126   8.269
    7    HG2  MET   1           HG2      MET   1  38.267 -11.957   9.992
    8    HG3  MET   1           HG1      MET   1  36.936 -10.941   9.378
    9    HE1  MET   1           HE1      MET   1  38.435 -13.035  12.290
   10    HE2  MET   1           HE2      MET   1  36.889 -13.936  12.108
   11    HE3  MET   1           HE3      MET   1  37.196 -12.971  13.588
   12    H    LEU   2           HN       LEU   2  35.577 -12.300   6.827
   13    HA   LEU   2           HA       LEU   2  34.230  -9.754   6.998
   14    HB2  LEU   2           HB2      LEU   2  36.465 -10.784   5.591
   15    HB3  LEU   2           HB1      LEU   2  35.262 -10.523   4.307
   16    HG   LEU   2           HG       LEU   2  36.123  -8.433   6.395
   17   HD11  LEU   2          HD11      LEU   2  37.083  -8.755   3.478
   18   HD12  LEU   2          HD12      LEU   2  38.047  -9.107   4.962
   19   HD13  LEU   2          HD13      LEU   2  37.532  -7.417   4.603
   20   HD21  LEU   2          HD21      LEU   2  33.916  -7.839   5.483
   21   HD22  LEU   2          HD22      LEU   2  34.521  -8.048   3.791
   22   HD23  LEU   2          HD23      LEU   2  35.167  -6.725   4.832
   23    H    LYS   3           HN       LYS   3  33.064  -9.328   4.631
   24    HA   LYS   3           HA       LYS   3  30.850 -11.210   4.643
   25    HB2  LYS   3           HB2      LYS   3  30.346  -8.771   4.789
   26    HB3  LYS   3           HB1      LYS   3  31.162  -8.508   3.223
   27    HG2  LYS   3           HG2      LYS   3  28.689  -8.539   3.000
   28    HG3  LYS   3           HG1      LYS   3  29.469  -9.834   2.041
   29    HD2  LYS   3           HD2      LYS   3  27.456 -10.686   2.968
   30    HD3  LYS   3           HD1      LYS   3  28.796 -11.540   3.779
   31    HE2  LYS   3           HE2      LYS   3  27.274  -9.119   5.007
   32    HE3  LYS   3           HE1      LYS   3  26.782 -10.841   5.246
   33    HZ1  LYS   3           HZ1      LYS   3  28.899 -11.278   6.257
   34    HZ2  LYS   3           HZ2      LYS   3  28.082 -10.025   7.062
   35    HZ3  LYS   3           HZ3      LYS   3  29.389  -9.667   6.037
   36    H    ASP   4           HN       ASP   4  31.841 -12.982   3.685
   37    HA   ASP   4           HA       ASP   4  31.880 -12.862   0.795
   38    HB2  ASP   4           HB2      ASP   4  34.100 -14.215   2.492
   39    HB3  ASP   4           HB1      ASP   4  33.869 -14.455   0.719
   40    H    TYR   5           HN       TYR   5  31.066 -14.881  -0.000
   41    HA   TYR   5           HA       TYR   5  30.170 -16.784   2.073
   42    HB2  TYR   5           HB2      TYR   5  28.746 -15.947  -0.489
   43    HB3  TYR   5           HB1      TYR   5  28.228 -17.310   0.585
   44    HD1  TYR   5           HD1      TYR   5  27.875 -13.796  -0.048
   45    HD2  TYR   5           HD2      TYR   5  27.818 -16.756   3.070
   46    HE1  TYR   5           HE1      TYR   5  26.476 -12.310   1.335
   47    HE2  TYR   5           HE2      TYR   5  26.429 -15.269   4.462
   48    HH   TYR   5           HH       TYR   5  25.336 -13.311   4.598
   49    H    HIS   6           HN       HIS   6  29.311 -17.994  -0.731
   50    HA   HIS   6           HA       HIS   6  31.655 -19.566  -1.239
   51    HB2  HIS   6           HB2      HIS   6  28.951 -19.344  -2.630
   52    HB3  HIS   6           HB1      HIS   6  30.241 -20.487  -3.122
   53    HD1  HIS   6           HD1      HIS   6  28.003 -19.773  -0.098
   54    HD2  HIS   6           HD2      HIS   6  30.282 -22.890  -1.746
   55    HE1  HIS   6           HE1      HIS   6  27.537 -21.854   1.271
   56    HE2  HIS   6           HE2      HIS   6  28.932 -23.705   0.248
   57    H    LEU   7           HN       LEU   7  30.370 -16.496  -2.166
   58    HA   LEU   7           HA       LEU   7  31.322 -16.412  -4.826
   59    HB2  LEU   7           HB2      LEU   7  30.694 -14.069  -2.924
   60    HB3  LEU   7           HB1      LEU   7  30.775 -13.995  -4.719
   61    HG   LEU   7           HG       LEU   7  28.705 -15.534  -3.026
   62   HD11  LEU   7          HD11      LEU   7  27.085 -13.815  -3.782
   63   HD12  LEU   7          HD12      LEU   7  28.398 -12.938  -4.657
   64   HD13  LEU   7          HD13      LEU   7  28.444 -13.074  -2.858
   65   HD21  LEU   7          HD21      LEU   7  29.046 -16.706  -5.183
   66   HD22  LEU   7          HD22      LEU   7  28.838 -15.156  -6.086
   67   HD23  LEU   7          HD23      LEU   7  27.455 -15.867  -5.169
   68    H    LYS   8           HN       LYS   8  33.203 -15.338  -5.620
   69    HA   LYS   8           HA       LYS   8  35.141 -14.458  -3.618
   70    HB2  LYS   8           HB2      LYS   8  35.719 -16.843  -4.223
   71    HB3  LYS   8           HB1      LYS   8  35.715 -16.388  -5.956
   72    HG2  LYS   8           HG2      LYS   8  38.003 -16.557  -5.122
   73    HG3  LYS   8           HG1      LYS   8  37.659 -14.851  -5.558
   74    HD2  LYS   8           HD2      LYS   8  37.283 -14.314  -3.126
   75    HD3  LYS   8           HD1      LYS   8  37.650 -16.019  -2.697
   76    HE2  LYS   8           HE2      LYS   8  39.598 -14.035  -4.078
   77    HE3  LYS   8           HE1      LYS   8  39.605 -14.473  -2.321
   78    HZ1  LYS   8           HZ1      LYS   8  40.033 -16.343  -4.591
   79    HZ2  LYS   8           HZ2      LYS   8  40.042 -16.748  -2.941
   80    HZ3  LYS   8           HZ3      LYS   8  41.227 -15.703  -3.566
   81    H    GLU   9           HN       GLU   9  35.998 -12.518  -4.185
   82    HA   GLU   9           HA       GLU   9  35.995 -11.728  -6.973
   83    HB2  GLU   9           HB2      GLU   9  35.074  -9.609  -6.544
   84    HB3  GLU   9           HB1      GLU   9  33.976 -10.787  -5.743
   85    HG2  GLU   9           HG2      GLU   9  36.124  -9.074  -4.356
   86    HG3  GLU   9           HG1      GLU   9  34.364  -8.712  -4.401
   87    H    MET  10           HN       MET  10  37.458  -9.512  -6.940
   88    HA   MET  10           HA       MET  10  39.760 -10.093  -5.257
   89    HB2  MET  10           HB2      MET  10  40.279 -10.034  -7.644
   90    HB3  MET  10           HB1      MET  10  39.406  -8.479  -7.827
   91    HG2  MET  10           HG2      MET  10  41.819  -8.077  -7.793
   92    HG3  MET  10           HG1      MET  10  40.995  -7.353  -6.376
   93    HE1  MET  10           HE1      MET  10  44.012  -7.447  -6.541
   94    HE2  MET  10           HE2      MET  10  44.474  -8.013  -4.899
   95    HE3  MET  10           HE3      MET  10  43.096  -6.879  -5.103
   96    HA   PRO  11           HA       PRO  11  37.584  -6.702  -3.253
   97    HB2  PRO  11           HB2      PRO  11  39.379  -6.245  -1.060
   98    HB3  PRO  11           HB1      PRO  11  38.058  -7.471  -1.127
   99    HG2  PRO  11           HG1      PRO  11  41.015  -7.856  -1.823
  100    HG3  PRO  11           HG2      PRO  11  39.957  -8.902  -0.781
  101    HD2  PRO  11           HD1      PRO  11  40.385  -9.617  -3.373
  102    HD3  PRO  11           HD2      PRO  11  38.684  -9.652  -2.736
  103    H    GLU  12           HN       GLU  12  41.053  -6.375  -4.074
  104    HA   GLU  12           HA       GLU  12  42.294  -4.734  -4.698
  105    HB2  GLU  12           HB2      GLU  12  39.743  -3.252  -5.508
  106    HB3  GLU  12           HB1      GLU  12  41.423  -2.819  -5.995
  107    HG2  GLU  12           HG2      GLU  12  41.643  -5.052  -7.155
  108    HG3  GLU  12           HG1      GLU  12  39.941  -5.437  -6.696
  109    H    MET  13           HN       MET  13  42.841  -4.533  -2.357
  110    HA   MET  13           HA       MET  13  41.764  -2.181  -1.036
  111    HB2  MET  13           HB2      MET  13  43.850  -4.233  -0.124
  112    HB3  MET  13           HB1      MET  13  43.201  -2.881   0.876
  113    HG2  MET  13           HG2      MET  13  40.893  -3.848   0.637
  114    HG3  MET  13           HG1      MET  13  41.571  -5.222  -0.291
  115    HE1  MET  13           HE1      MET  13  40.406  -6.904   1.224
  116    HE2  MET  13           HE2      MET  13  39.682  -5.528   2.125
  117    HE3  MET  13           HE3      MET  13  40.448  -6.885   3.020
  118    H    GLU  14           HN       GLU  14  43.139  -0.386  -0.376
  119    HA   GLU  14           HA       GLU  14  45.660  -0.082  -1.752
  120    HB2  GLU  14           HB2      GLU  14  44.829   1.673  -3.295
  121    HB3  GLU  14           HB1      GLU  14  43.906   0.161  -3.565
  122    HG2  GLU  14           HG2      GLU  14  42.020   1.060  -2.127
  123    HG3  GLU  14           HG1      GLU  14  42.886   2.631  -2.004
  124    H    ASP  15           HN       ASP  15  43.091   0.976   0.357
  125    HA   ASP  15           HA       ASP  15  44.551   3.362   1.115
  126    HB2  ASP  15           HB2      ASP  15  42.783   3.943   2.570
  127    HB3  ASP  15           HB1      ASP  15  42.088   3.512   0.978
  128    H    GLU  16           HN       GLU  16  44.269   0.022   1.919
  129    HA   GLU  16           HA       GLU  16  45.373  -0.083   4.473
  130    HB2  GLU  16           HB2      GLU  16  44.389  -2.048   3.242
  131    HB3  GLU  16           HB1      GLU  16  45.703  -1.927   2.028
  132    HG2  GLU  16           HG2      GLU  16  47.388  -2.425   3.913
  133    HG3  GLU  16           HG1      GLU  16  45.989  -2.678   5.018
  134    H    PHE  17           HN       PHE  17  46.792   0.075   1.163
  135    HA   PHE  17           HA       PHE  17  49.467   0.013   1.863
  136    HB2  PHE  17           HB2      PHE  17  48.640  -0.374  -0.453
  137    HB3  PHE  17           HB1      PHE  17  48.046   1.309  -0.540
  138    HD1  PHE  17           HD1      PHE  17  51.125  -0.795  -0.366
  139    HD2  PHE  17           HD2      PHE  17  49.498   3.110  -1.052
  140    HE1  PHE  17           HE1      PHE  17  53.292  -0.068  -1.309
  141    HE2  PHE  17           HE2      PHE  17  51.680   3.860  -1.942
  142    HZ   PHE  17           HZ       PHE  17  53.602   2.301  -2.005
  143    H    LEU  18           HN       LEU  18  47.135   2.745   1.658
  144    HA   LEU  18           HA       LEU  18  49.092   4.754   1.853
  145    HB2  LEU  18           HB2      LEU  18  46.059   4.616   2.108
  146    HB3  LEU  18           HB1      LEU  18  46.873   6.151   2.456
  147    HG   LEU  18           HG       LEU  18  47.185   4.576  -0.164
  148   HD11  LEU  18          HD11      LEU  18  45.396   7.028   0.387
  149   HD12  LEU  18          HD12      LEU  18  44.831   5.338   0.106
  150   HD13  LEU  18          HD13      LEU  18  45.665   6.239  -1.214
  151   HD21  LEU  18          HD21      LEU  18  49.129   6.084   0.256
  152   HD22  LEU  18          HD22      LEU  18  48.008   7.474   0.511
  153   HD23  LEU  18          HD23      LEU  18  48.131   6.682  -1.104
  154    H    GLU  19           HN       GLU  19  47.611   2.753   4.322
  155    HA   GLU  19           HA       GLU  19  48.194   4.753   6.404
  156    HB2  GLU  19           HB2      GLU  19  46.795   2.045   6.499
  157    HB3  GLU  19           HB1      GLU  19  47.165   3.043   7.949
  158    HG2  GLU  19           HG2      GLU  19  45.363   3.903   5.589
  159    HG3  GLU  19           HG1      GLU  19  44.834   3.356   7.218
  160    H    TYR  20           HN       TYR  20  49.455   1.955   4.812
  161    HA   TYR  20           HA       TYR  20  51.180   1.045   6.934
  162    HB2  TYR  20           HB2      TYR  20  50.756   0.474   3.940
  163    HB3  TYR  20           HB1      TYR  20  52.148  -0.210   4.733
  164    HD1  TYR  20           HD1      TYR  20  51.759  -2.451   4.603
  165    HD2  TYR  20           HD2      TYR  20  48.837   0.023   6.537
  166    HE1  TYR  20           HE1      TYR  20  50.610  -4.471   5.437
  167    HE2  TYR  20           HE2      TYR  20  47.703  -1.977   7.403
  168    HH   TYR  20           HH       TYR  20  48.878  -5.286   6.630
  169    H    CYS  21           HN       CYS  21  51.110   3.292   4.342
  170    HA   CYS  21           HA       CYS  21  53.857   3.293   3.830
  171    HB2  CYS  21           HB2      CYS  21  51.622   5.205   3.030
  172    HB3  CYS  21           HB1      CYS  21  53.319   5.691   2.725
  173    HG   CYS  21           HG1      CYS  21  52.344   4.790   0.553
  174    H    ALA  22           HN       ALA  22  52.109   4.499   6.443
  175    HA   ALA  22           HA       ALA  22  53.511   6.812   7.176
  176    HB1  ALA  22           HB1      ALA  22  51.263   6.134   8.102
  177    HB2  ALA  22           HB2      ALA  22  52.472   6.395   9.415
  178    HB3  ALA  22           HB3      ALA  22  52.035   4.720   8.896
  179    H    LYS  23           HN       LYS  23  54.369   3.458   7.114
  180    HA   LYS  23           HA       LYS  23  56.604   3.757   8.949
  181    HB2  LYS  23           HB2      LYS  23  55.261   1.618   9.075
  182    HB3  LYS  23           HB1      LYS  23  55.627   1.314   7.351
  183    HG2  LYS  23           HG2      LYS  23  58.126   1.290   7.979
  184    HG3  LYS  23           HG1      LYS  23  57.636   1.516   9.688
  185    HD2  LYS  23           HD2      LYS  23  58.123  -0.829   9.348
  186    HD3  LYS  23           HD1      LYS  23  56.354  -0.649   9.592
  187    HE2  LYS  23           HE2      LYS  23  56.839  -2.311   7.806
  188    HE3  LYS  23           HE1      LYS  23  56.001  -0.882   7.086
  189    HZ1  LYS  23           HZ1      LYS  23  58.160  -0.060   6.386
  190    HZ2  LYS  23           HZ2      LYS  23  57.835  -1.602   5.753
  191    HZ3  LYS  23           HZ3      LYS  23  58.924  -1.427   7.042
  192    H    ASN  24           HN       ASN  24  57.510   5.373   7.668
  193    HA   ASN  24           HA       ASN  24  58.139   5.087   4.998
  194    HB2  ASN  24           HB2      ASN  24  59.447   6.939   7.067
  195    HB3  ASN  24           HB1      ASN  24  59.707   7.035   5.298
  196   HD21  ASN  24          HD21      ASN  24  56.378   8.703   7.002
  197   HD22  ASN  24          HD22      ASN  24  57.670   8.008   7.924
  198    HA   PRO  25           HA       PRO  25  62.527   3.569   6.249
  199    HB2  PRO  25           HB2      PRO  25  61.645   1.845   8.634
  200    HB3  PRO  25           HB1      PRO  25  63.235   2.666   8.387
  201    HG2  PRO  25           HG1      PRO  25  61.340   3.698  10.119
  202    HG3  PRO  25           HG2      PRO  25  62.394   4.768   9.104
  203    HD2  PRO  25           HD1      PRO  25  59.448   4.067   8.619
  204    HD3  PRO  25           HD2      PRO  25  60.389   5.585   8.294
  205    H    SER  26           HN       SER  26  63.117   1.671   5.116
  206    HA   SER  26           HA       SER  26  62.861  -0.122   3.951
  207    HB2  SER  26           HB2      SER  26  61.219  -1.051   6.366
  208    HB3  SER  26           HB1      SER  26  61.728  -2.143   5.003
  209    HG   SER  26           HG1      SER  26  63.137  -2.191   6.751
  210    H    TYR  27           HN       TYR  27  61.692   1.563   2.650
  211    HA   TYR  27           HA       TYR  27  58.896   1.437   2.388
  212    HB2  TYR  27           HB2      TYR  27  59.109   2.938   0.591
  213    HB3  TYR  27           HB1      TYR  27  60.383   3.439   1.764
  214    HD1  TYR  27           HD1      TYR  27  62.732   1.797   1.111
  215    HD2  TYR  27           HD2      TYR  27  59.747   3.397  -1.540
  216    HE1  TYR  27           HE1      TYR  27  64.308   1.623  -0.761
  217    HE2  TYR  27           HE2      TYR  27  61.292   3.157  -3.428
  218    HH   TYR  27           HH       TYR  27  64.629   1.875  -2.975
  219    H    GLU  28           HN       GLU  28  61.584  -0.280   1.202
  220    HA   GLU  28           HA       GLU  28  60.678  -1.438  -1.122
  221    HB2  GLU  28           HB2      GLU  28  62.500  -3.230  -0.416
  222    HB3  GLU  28           HB1      GLU  28  62.991  -1.552  -0.807
  223    HG2  GLU  28           HG2      GLU  28  63.221  -0.912   1.521
  224    HG3  GLU  28           HG1      GLU  28  62.485  -2.438   2.112
  225    H    GLU  29           HN       GLU  29  60.096  -2.257   2.326
  226    HA   GLU  29           HA       GLU  29  59.067  -4.853   1.753
  227    HB2  GLU  29           HB2      GLU  29  58.759  -3.041   4.203
  228    HB3  GLU  29           HB1      GLU  29  58.121  -4.723   4.091
  229    HG2  GLU  29           HG2      GLU  29  60.430  -5.601   3.699
  230    HG3  GLU  29           HG1      GLU  29  61.100  -3.941   3.867
  231    H    ALA  30           HN       ALA  30  57.719  -1.534   1.921
  232    HA   ALA  30           HA       ALA  30  55.007  -2.415   1.921
  233    HB1  ALA  30           HB1      ALA  30  55.633  -0.181   2.846
  234    HB2  ALA  30           HB2      ALA  30  54.445  -0.025   1.503
  235    HB3  ALA  30           HB3      ALA  30  56.189   0.336   1.215
  236    H    TYR  31           HN       TYR  31  57.488  -1.909  -0.543
  237    HA   TYR  31           HA       TYR  31  55.650  -1.784  -2.748
  238    HB2  TYR  31           HB2      TYR  31  57.901  -0.807  -3.061
  239    HB3  TYR  31           HB1      TYR  31  58.651  -2.217  -2.356
  240    HD1  TYR  31           HD1      TYR  31  56.092  -2.096  -5.118
  241    HD2  TYR  31           HD2      TYR  31  60.158  -2.896  -4.028
  242    HE1  TYR  31           HE1      TYR  31  56.449  -3.158  -7.308
  243    HE2  TYR  31           HE2      TYR  31  60.564  -3.883  -6.252
  244    HH   TYR  31           HH       TYR  31  59.674  -4.466  -8.238
  245    H    LEU  32           HN       LEU  32  57.905  -4.262  -1.434
  246    HA   LEU  32           HA       LEU  32  57.191  -6.133  -3.358
  247    HB2  LEU  32           HB2      LEU  32  58.675  -6.343  -0.693
  248    HB3  LEU  32           HB1      LEU  32  58.599  -7.692  -1.869
  249    HG   LEU  32           HG       LEU  32  59.657  -4.880  -2.588
  250   HD11  LEU  32          HD11      LEU  32  61.311  -7.321  -1.653
  251   HD12  LEU  32          HD12      LEU  32  61.020  -5.818  -0.701
  252   HD13  LEU  32          HD13      LEU  32  61.962  -5.741  -2.236
  253   HD21  LEU  32          HD21      LEU  32  60.812  -6.059  -4.461
  254   HD22  LEU  32          HD22      LEU  32  59.026  -6.256  -4.558
  255   HD23  LEU  32          HD23      LEU  32  60.051  -7.617  -3.964
  256    H    LYS  33           HN       LYS  33  55.868  -5.574  -0.145
  257    HA   LYS  33           HA       LYS  33  54.643  -8.091   0.212
  258    HB2  LYS  33           HB2      LYS  33  55.020  -6.448   2.089
  259    HB3  LYS  33           HB1      LYS  33  53.866  -5.333   1.347
  260    HG2  LYS  33           HG2      LYS  33  52.720  -8.068   1.846
  261    HG3  LYS  33           HG1      LYS  33  53.360  -7.271   3.325
  262    HD2  LYS  33           HD2      LYS  33  51.994  -5.292   2.901
  263    HD3  LYS  33           HD1      LYS  33  51.462  -5.953   1.315
  264    HE2  LYS  33           HE2      LYS  33  50.786  -7.114   4.108
  265    HE3  LYS  33           HE1      LYS  33  49.680  -6.212   2.999
  266    HZ1  LYS  33           HZ1      LYS  33  50.944  -8.828   2.414
  267    HZ2  LYS  33           HZ2      LYS  33  49.901  -7.961   1.392
  268    HZ3  LYS  33           HZ3      LYS  33  49.329  -8.564   2.873
  269    H    PHE  34           HN       PHE  34  53.546  -4.938  -1.114
  270    HA   PHE  34           HA       PHE  34  50.912  -5.906  -1.754
  271    HB2  PHE  34           HB2      PHE  34  52.394  -3.228  -2.185
  272    HB3  PHE  34           HB1      PHE  34  50.761  -3.528  -2.842
  273    HD1  PHE  34           HD1      PHE  34  48.832  -3.311  -1.428
  274    HD2  PHE  34           HD2      PHE  34  52.741  -3.512   0.332
  275    HE1  PHE  34           HE1      PHE  34  47.888  -2.683   0.776
  276    HE2  PHE  34           HE2      PHE  34  51.818  -2.947   2.510
  277    HZ   PHE  34           HZ       PHE  34  49.387  -2.465   2.755
  278    H    GLY  35           HN       GLY  35  52.982  -3.985  -3.917
  279    HA2  GLY  35           HA2      GLY  35  54.220  -5.684  -5.439
  280    HA3  GLY  35           HA1      GLY  35  52.542  -5.750  -6.136
  281    H    ASP  36           HN       ASP  36  52.394  -4.447  -7.856
  282    HA   ASP  36           HA       ASP  36  54.155  -2.311  -8.258
  283    HB2  ASP  36           HB2      ASP  36  52.921  -1.908 -10.361
  284    HB3  ASP  36           HB1      ASP  36  53.349  -3.636 -10.158
  285    H    LYS  37           HN       LYS  37  51.651  -2.374  -6.162
  286    HA   LYS  37           HA       LYS  37  50.156  -0.111  -6.498
  287    HB2  LYS  37           HB2      LYS  37  49.758  -1.975  -4.858
  288    HB3  LYS  37           HB1      LYS  37  51.146  -1.389  -3.919
  289    HG2  LYS  37           HG2      LYS  37  49.039  -0.647  -2.905
  290    HG3  LYS  37           HG1      LYS  37  50.003   0.761  -3.468
  291    HD2  LYS  37           HD2      LYS  37  47.648   1.147  -3.886
  292    HD3  LYS  37           HD1      LYS  37  48.526   1.023  -5.445
  293    HE2  LYS  37           HE2      LYS  37  47.661  -1.350  -5.721
  294    HE3  LYS  37           HE1      LYS  37  46.783  -1.192  -4.142
  295    HZ1  LYS  37           HZ1      LYS  37  45.542   0.635  -5.089
  296    HZ2  LYS  37           HZ2      LYS  37  45.369  -0.773  -6.022
  297    HZ3  LYS  37           HZ3      LYS  37  46.373   0.485  -6.563
  298    H    LEU  38           HN       LEU  38  53.402  -0.540  -4.987
  299    HA   LEU  38           HA       LEU  38  53.513   2.191  -4.093
  300    HB2  LEU  38           HB2      LEU  38  54.778   0.272  -2.902
  301    HB3  LEU  38           HB1      LEU  38  55.766   0.102  -4.312
  302    HG   LEU  38           HG       LEU  38  55.637   2.894  -3.178
  303   HD11  LEU  38          HD11      LEU  38  57.035   0.663  -1.593
  304   HD12  LEU  38          HD12      LEU  38  55.576   1.579  -1.070
  305   HD13  LEU  38          HD13      LEU  38  57.151   2.433  -1.275
  306   HD21  LEU  38          HD21      LEU  38  57.983   1.075  -4.011
  307   HD22  LEU  38          HD22      LEU  38  58.110   2.821  -3.560
  308   HD23  LEU  38          HD23      LEU  38  57.190   2.331  -5.034
  309    H    LEU  39           HN       LEU  39  54.526   0.440  -7.019
  310    HA   LEU  39           HA       LEU  39  56.288   2.397  -7.940
  311    HB2  LEU  39           HB2      LEU  39  54.601   0.435  -9.576
  312    HB3  LEU  39           HB1      LEU  39  56.023   1.355 -10.167
  313    HG   LEU  39           HG       LEU  39  56.005  -0.796  -7.964
  314   HD11  LEU  39          HD11      LEU  39  57.139  -0.834 -10.826
  315   HD12  LEU  39          HD12      LEU  39  55.651  -1.683 -10.258
  316   HD13  LEU  39          HD13      LEU  39  57.267  -2.166  -9.612
  317   HD21  LEU  39          HD21      LEU  39  57.788   0.837  -7.424
  318   HD22  LEU  39          HD22      LEU  39  58.398   0.775  -9.122
  319   HD23  LEU  39          HD23      LEU  39  58.515  -0.677  -8.060
  320    H    GLU  40           HN       GLU  40  52.782   1.851  -8.625
  321    HA   GLU  40           HA       GLU  40  52.604   4.002 -10.437
  322    HB2  GLU  40           HB2      GLU  40  50.131   3.704 -10.213
  323    HB3  GLU  40           HB1      GLU  40  51.005   2.187 -10.649
  324    HG2  GLU  40           HG2      GLU  40  50.832   1.420  -8.273
  325    HG3  GLU  40           HG1      GLU  40  50.041   2.941  -7.815
  326    H    TYR  41           HN       TYR  41  52.090   3.765  -6.902
  327    HA   TYR  41           HA       TYR  41  50.669   6.247  -6.731
  328    HB2  TYR  41           HB2      TYR  41  51.789   4.139  -4.804
  329    HB3  TYR  41           HB1      TYR  41  51.449   5.728  -4.142
  330    HD1  TYR  41           HD1      TYR  41  49.149   4.561  -6.891
  331    HD2  TYR  41           HD2      TYR  41  49.831   4.906  -2.644
  332    HE1  TYR  41           HE1      TYR  41  46.804   4.073  -6.479
  333    HE2  TYR  41           HE2      TYR  41  47.465   4.370  -2.247
  334    HH   TYR  41           HH       TYR  41  45.176   3.807  -4.938
  335    H    GLU  42           HN       GLU  42  53.966   5.297  -6.941
  336    HA   GLU  42           HA       GLU  42  55.023   7.666  -5.658
  337    HB2  GLU  42           HB2      GLU  42  56.147   5.405  -5.685
  338    HB3  GLU  42           HB1      GLU  42  56.518   5.642  -7.422
  339    HG2  GLU  42           HG2      GLU  42  57.410   7.464  -5.066
  340    HG3  GLU  42           HG1      GLU  42  58.396   6.126  -5.752
  341    H    LEU  43           HN       LEU  43  54.494   6.389  -8.954
  342    HA   LEU  43           HA       LEU  43  55.474   8.648 -10.331
  343    HB2  LEU  43           HB2      LEU  43  53.601   6.331 -11.072
  344    HB3  LEU  43           HB1      LEU  43  54.142   7.534 -12.281
  345    HG   LEU  43           HG       LEU  43  56.052   5.769 -10.641
  346   HD11  LEU  43          HD11      LEU  43  54.587   4.354 -12.063
  347   HD12  LEU  43          HD12      LEU  43  56.284   4.359 -12.672
  348   HD13  LEU  43          HD13      LEU  43  55.021   5.336 -13.514
  349   HD21  LEU  43          HD21      LEU  43  56.550   7.493 -13.150
  350   HD22  LEU  43          HD22      LEU  43  57.741   6.380 -12.377
  351   HD23  LEU  43          HD23      LEU  43  57.155   7.827 -11.483
  352    H    LEU  44           HN       LEU  44  52.475   7.954  -8.686
  353    HA   LEU  44           HA       LEU  44  50.841   9.740 -10.183
  354    HB2  LEU  44           HB2      LEU  44  49.874   7.748  -9.238
  355    HB3  LEU  44           HB1      LEU  44  50.489   8.176  -7.616
  356    HG   LEU  44           HG       LEU  44  48.897   9.960  -7.375
  357   HD11  LEU  44          HD11      LEU  44  47.972   9.386 -10.273
  358   HD12  LEU  44          HD12      LEU  44  48.794  10.884  -9.695
  359   HD13  LEU  44          HD13      LEU  44  47.141  10.485  -9.109
  360   HD21  LEU  44          HD21      LEU  44  48.144   7.662  -6.834
  361   HD22  LEU  44          HD22      LEU  44  47.517   7.450  -8.512
  362   HD23  LEU  44          HD23      LEU  44  46.766   8.672  -7.419
  363    H    GLY  45           HN       GLY  45  51.526   9.739  -6.602
  364    HA2  GLY  45           HA2      GLY  45  53.070  11.666  -6.096
  365    HA3  GLY  45           HA1      GLY  45  51.694  12.659  -6.728
  366    H    LYS  46           HN       LYS  46  51.150   9.612  -5.038
  367    HA   LYS  46           HA       LYS  46  49.775  10.990  -2.890
  368    HB2  LYS  46           HB2      LYS  46  50.105   8.062  -3.628
  369    HB3  LYS  46           HB1      LYS  46  49.313   8.619  -2.107
  370    HG2  LYS  46           HG2      LYS  46  47.735  10.022  -3.441
  371    HG3  LYS  46           HG1      LYS  46  48.422   9.360  -4.965
  372    HD2  LYS  46           HD2      LYS  46  47.637   7.107  -4.403
  373    HD3  LYS  46           HD1      LYS  46  47.175   7.632  -2.741
  374    HE2  LYS  46           HE2      LYS  46  45.458   9.184  -3.667
  375    HE3  LYS  46           HE1      LYS  46  45.875   8.661  -5.348
  376    HZ1  LYS  46           HZ1      LYS  46  43.961   7.505  -4.503
  377    HZ2  LYS  46           HZ2      LYS  46  44.835   6.917  -3.171
  378    HZ3  LYS  46           HZ3      LYS  46  45.241   6.415  -4.741
  379    H    ILE  47           HN       ILE  47  52.469   8.745  -3.500
  380    HA   ILE  47           HA       ILE  47  53.866   9.577  -1.046
  381    HB   ILE  47           HB       ILE  47  55.161   7.455  -1.409
  382   HG12  ILE  47          HG12      ILE  47  52.698   6.805  -3.155
  383   HG13  ILE  47          HG11      ILE  47  54.337   7.139  -3.798
  384   HG21  ILE  47          HG21      ILE  47  53.421   7.781   0.395
  385   HG22  ILE  47          HG22      ILE  47  53.568   6.087  -0.207
  386   HG23  ILE  47          HG23      ILE  47  52.172   7.103  -0.733
  387   HD11  ILE  47           HD1      ILE  47  55.229   5.254  -2.591
  388   HD12  ILE  47           HD2      ILE  47  53.938   4.708  -3.720
  389   HD13  ILE  47           HD3      ILE  47  53.624   4.786  -1.941
  390    H    LYS  48           HN       LYS  48  56.295   9.561  -1.485
  391    HA   LYS  48           HA       LYS  48  56.999   9.737  -4.286
  392    HB2  LYS  48           HB2      LYS  48  57.916  11.829  -2.193
  393    HB3  LYS  48           HB1      LYS  48  58.393  11.822  -3.917
  394    HG2  LYS  48           HG2      LYS  48  56.052  12.339  -4.591
  395    HG3  LYS  48           HG1      LYS  48  55.541  12.357  -2.866
  396    HD2  LYS  48           HD2      LYS  48  57.622  14.247  -4.121
  397    HD3  LYS  48           HD1      LYS  48  55.890  14.636  -3.811
  398    HE2  LYS  48           HE2      LYS  48  56.262  14.274  -1.331
  399    HE3  LYS  48           HE1      LYS  48  58.017  13.961  -1.663
  400    HZ1  LYS  48           HZ1      LYS  48  56.537  16.465  -2.279
  401    HZ2  LYS  48           HZ2      LYS  48  58.179  16.167  -2.589
  402    HZ3  LYS  48           HZ3      LYS  48  57.614  16.213  -0.989
  403    H    ARG  49           HN       ARG  49  59.405   9.595  -4.518
  404    HA   ARG  49           HA       ARG  49  60.846   8.792  -2.139
  405    HB2  ARG  49           HB2      ARG  49  59.886   6.635  -2.907
  406    HB3  ARG  49           HB1      ARG  49  60.618   6.861  -4.525
  407    HG2  ARG  49           HG2      ARG  49  62.396   6.989  -2.029
  408    HG3  ARG  49           HG1      ARG  49  61.737   5.410  -2.543
  409    HD2  ARG  49           HD2      ARG  49  62.805   5.643  -4.799
  410    HD3  ARG  49           HD1      ARG  49  63.471   7.258  -4.315
  411    HE   ARG  49           HE       ARG  49  64.119   4.908  -2.571
  412   HH11  ARG  49          HH11      ARG  49  66.351   4.269  -2.473
  413   HH12  ARG  49          HH12      ARG  49  67.520   5.005  -3.517
  414   HH21  ARG  49          HH21      ARG  49  65.206   7.155  -5.142
  415   HH22  ARG  49          HH22      ARG  49  66.863   6.665  -5.046
  416    H    ILE  50           HN       ILE  50  62.985   9.532  -2.384
  417    HA   ILE  50           HA       ILE  50  64.010  10.043  -5.004
  418    HB   ILE  50           HB       ILE  50  62.637  12.003  -4.830
  419   HG12  ILE  50          HG12      ILE  50  65.558  12.827  -4.340
  420   HG13  ILE  50          HG11      ILE  50  64.981  12.025  -5.843
  421   HG21  ILE  50          HG21      ILE  50  62.399  12.093  -2.332
  422   HG22  ILE  50          HG22      ILE  50  62.861  13.676  -3.040
  423   HG23  ILE  50          HG23      ILE  50  64.100  12.683  -2.198
  424   HD11  ILE  50           HD1      ILE  50  63.338  13.866  -6.220
  425   HD12  ILE  50           HD2      ILE  50  65.037  14.475  -6.172
  426   HD13  ILE  50           HD3      ILE  50  63.951  14.728  -4.755
  427    H    ASN  51           HN       ASN  51  64.184  10.239  -1.450
  428    HA   ASN  51           HA       ASN  51  66.966  10.786  -1.433
  429    HB2  ASN  51           HB2      ASN  51  65.394  11.662   0.303
  430    HB3  ASN  51           HB1      ASN  51  65.024   9.994   0.834
  431   HD21  ASN  51          HD21      ASN  51  68.849  11.587   1.598
  432   HD22  ASN  51          HD22      ASN  51  68.013  12.007   0.141
  433    H    HIS  52           HN       HIS  52  65.493   8.162   0.510
  434    HA   HIS  52           HA       HIS  52  67.142   6.163  -0.844
  435    HB2  HIS  52           HB2      HIS  52  67.097   6.704   2.195
  436    HB3  HIS  52           HB1      HIS  52  67.862   5.275   1.409
  437    HD1  HIS  52           HD1      HIS  52  69.717   6.148  -0.566
  438    HD2  HIS  52           HD2      HIS  52  68.944   8.679   2.693
  439    HE1  HIS  52           HE1      HIS  52  71.653   7.773  -0.397
  440    HE2  HIS  52           HE2      HIS  52  71.144   9.283   1.574
  441    H    ILE  53           HN       ILE  53  64.519   7.251   1.262
  442    HA   ILE  53           HA       ILE  53  63.130   4.687   0.942
  443    HB   ILE  53           HB       ILE  53  62.115   5.028   3.154
  444   HG12  ILE  53          HG12      ILE  53  64.402   7.035   3.683
  445   HG13  ILE  53          HG11      ILE  53  62.722   7.538   3.286
  446   HG21  ILE  53          HG21      ILE  53  63.948   3.397   2.700
  447   HG22  ILE  53          HG22      ILE  53  64.006   4.034   4.380
  448   HG23  ILE  53          HG23      ILE  53  65.174   4.641   3.150
  449   HD11  ILE  53           HD1      ILE  53  61.864   6.161   5.186
  450   HD12  ILE  53           HD2      ILE  53  62.920   7.535   5.711
  451   HD13  ILE  53           HD3      ILE  53  63.561   5.846   5.720
  452    H    VAL  54           HN       VAL  54  60.718   5.206   1.615
  453    HA   VAL  54           HA       VAL  54  59.856   7.207  -0.207
  454    HB   VAL  54           HB       VAL  54  58.816   4.943   0.108
  455   HG11  VAL  54          HG11      VAL  54  57.554   6.158   2.656
  456   HG12  VAL  54          HG12      VAL  54  58.870   4.924   2.651
  457   HG13  VAL  54          HG13      VAL  54  57.257   4.531   1.954
  458   HG21  VAL  54          HG21      VAL  54  56.939   7.362   0.344
  459   HG22  VAL  54          HG22      VAL  54  56.478   5.703  -0.175
  460   HG23  VAL  54          HG23      VAL  54  57.646   6.644  -1.162
  461    H    VAL  55           HN       VAL  55  58.757   9.143   0.330
  462    HA   VAL  55           HA       VAL  55  58.400   9.757   3.173
  463    HB   VAL  55           HB       VAL  55  58.595  12.181   2.605
  464   HG11  VAL  55          HG11      VAL  55  61.146  10.506   2.097
  465   HG12  VAL  55          HG12      VAL  55  60.446  10.908   3.710
  466   HG13  VAL  55          HG13      VAL  55  61.081  12.220   2.648
  467   HG21  VAL  55          HG21      VAL  55  58.230  12.075   0.126
  468   HG22  VAL  55          HG22      VAL  55  59.766  11.150  -0.081
  469   HG23  VAL  55          HG23      VAL  55  59.803  12.849   0.506
  470    H    LEU  56           HN       LEU  56  56.243  10.647   3.535
  471    HA   LEU  56           HA       LEU  56  54.432  10.016   1.388
  472    HB2  LEU  56           HB2      LEU  56  53.794  11.413   4.042
  473    HB3  LEU  56           HB1      LEU  56  52.640  10.680   2.882
  474    HG   LEU  56           HG       LEU  56  54.394   8.552   3.444
  475   HD11  LEU  56          HD11      LEU  56  53.827  10.056   6.084
  476   HD12  LEU  56          HD12      LEU  56  55.444   9.857   5.313
  477   HD13  LEU  56          HD13      LEU  56  54.552   8.412   5.918
  478   HD21  LEU  56          HD21      LEU  56  51.702   9.202   4.783
  479   HD22  LEU  56          HD22      LEU  56  52.490   7.580   4.693
  480   HD23  LEU  56          HD23      LEU  56  51.944   8.399   3.183
  481    H    ALA  57           HN       ALA  57  52.755  11.749   0.766
  482    HA   ALA  57           HA       ALA  57  54.041  14.168  -0.010
  483    HB1  ALA  57           HB1      ALA  57  51.062  13.397  -0.013
  484    HB2  ALA  57           HB2      ALA  57  52.201  13.280  -1.401
  485    HB3  ALA  57           HB3      ALA  57  51.742  14.895  -0.755
  486    H    HIS  58           HN       HIS  58  54.620  15.657   1.476
  487    HA   HIS  58           HA       HIS  58  52.914  16.091   3.828
  488    HB2  HIS  58           HB2      HIS  58  55.846  16.884   3.326
  489    HB3  HIS  58           HB1      HIS  58  54.925  17.112   4.859
  490    HD1  HIS  58           HD1      HIS  58  53.791  14.482   5.523
  491    HD2  HIS  58           HD2      HIS  58  57.518  14.739   3.608
  492    HE1  HIS  58           HE1      HIS  58  55.021  12.312   5.970
  493    HE2  HIS  58           HE2      HIS  58  57.261  12.510   4.802
  494    H    HIS  59           HN       HIS  59  51.795  17.022   1.582
  495    HA   HIS  59           HA       HIS  59  51.975  19.869   1.827
  496    HB2  HIS  59           HB2      HIS  59  52.213  20.168  -0.715
  497    HB3  HIS  59           HB1      HIS  59  53.701  19.711   0.168
  498    HD1  HIS  59           HD1      HIS  59  51.230  18.230  -2.286
  499    HD2  HIS  59           HD2      HIS  59  54.878  17.263  -0.450
  500    HE1  HIS  59           HE1      HIS  59  52.174  16.215  -3.500
  501    HE2  HIS  59           HE2      HIS  59  54.368  15.663  -2.364
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  26.688 -21.011  -4.101
    2    H2   MET   1           HT2      MET   1  25.971 -21.368  -2.604
    3    H3   MET   1           HT3      MET   1  25.467 -22.188  -4.004
    4    HA   MET   1           HA       MET   1  26.851 -23.557  -2.640
    5    HB2  MET   1           HB2      MET   1  28.162 -22.673  -5.292
    6    HB3  MET   1           HB1      MET   1  28.602 -24.166  -4.385
    7    HG2  MET   1           HG2      MET   1  26.258 -24.995  -4.621
    8    HG3  MET   1           HG1      MET   1  25.830 -23.529  -5.559
    9    HE1  MET   1           HE1      MET   1  25.665 -26.358  -8.208
   10    HE2  MET   1           HE2      MET   1  24.835 -24.985  -7.398
   11    HE3  MET   1           HE3      MET   1  25.262 -26.458  -6.460
   12    H    LEU   2           HN       LEU   2  29.385 -21.592  -4.257
   13    HA   LEU   2           HA       LEU   2  30.872 -21.551  -1.772
   14    HB2  LEU   2           HB2      LEU   2  31.543 -20.853  -4.673
   15    HB3  LEU   2           HB1      LEU   2  32.599 -20.326  -3.323
   16    HG   LEU   2           HG       LEU   2  32.868 -22.658  -2.556
   17   HD11  LEU   2          HD11      LEU   2  32.429 -24.559  -4.161
   18   HD12  LEU   2          HD12      LEU   2  31.454 -23.444  -5.190
   19   HD13  LEU   2          HD13      LEU   2  30.919 -23.838  -3.511
   20   HD21  LEU   2          HD21      LEU   2  33.767 -22.103  -5.455
   21   HD22  LEU   2          HD22      LEU   2  34.527 -23.272  -4.310
   22   HD23  LEU   2          HD23      LEU   2  34.568 -21.506  -3.952
   23    H    LYS   3           HN       LYS   3  31.780 -19.628  -0.903
   24    HA   LYS   3           HA       LYS   3  30.710 -17.077  -1.792
   25    HB2  LYS   3           HB2      LYS   3  29.258 -18.177   0.131
   26    HB3  LYS   3           HB1      LYS   3  30.637 -17.707   1.167
   27    HG2  LYS   3           HG2      LYS   3  30.314 -15.289   0.251
   28    HG3  LYS   3           HG1      LYS   3  28.877 -15.901  -0.637
   29    HD2  LYS   3           HD2      LYS   3  27.886 -16.633   1.530
   30    HD3  LYS   3           HD1      LYS   3  29.348 -16.009   2.390
   31    HE2  LYS   3           HE2      LYS   3  28.823 -13.670   1.608
   32    HE3  LYS   3           HE1      LYS   3  27.345 -14.287   0.761
   33    HZ1  LYS   3           HZ1      LYS   3  27.891 -14.443   3.680
   34    HZ2  LYS   3           HZ2      LYS   3  26.504 -15.021   2.888
   35    HZ3  LYS   3           HZ3      LYS   3  26.842 -13.357   2.902
   36    H    ASP   4           HN       ASP   4  31.957 -15.442  -0.066
   37    HA   ASP   4           HA       ASP   4  34.709 -16.432   0.304
   38    HB2  ASP   4           HB2      ASP   4  33.740 -13.587  -0.416
   39    HB3  ASP   4           HB1      ASP   4  35.420 -13.990   0.106
   40    H    TYR   5           HN       TYR   5  35.533 -16.086   2.342
   41    HA   TYR   5           HA       TYR   5  33.929 -14.531   4.243
   42    HB2  TYR   5           HB2      TYR   5  35.169 -17.262   4.815
   43    HB3  TYR   5           HB1      TYR   5  34.308 -16.218   6.012
   44    HD1  TYR   5           HD1      TYR   5  33.953 -18.834   3.563
   45    HD2  TYR   5           HD2      TYR   5  31.844 -15.616   5.481
   46    HE1  TYR   5           HE1      TYR   5  31.806 -19.895   2.975
   47    HE2  TYR   5           HE2      TYR   5  29.695 -16.677   4.905
   48    HH   TYR   5           HH       TYR   5  29.560 -19.779   3.093
   49    H    HIS   6           HN       HIS   6  36.132 -15.732   6.098
   50    HA   HIS   6           HA       HIS   6  38.166 -13.747   5.542
   51    HB2  HIS   6           HB2      HIS   6  37.659 -15.683   7.836
   52    HB3  HIS   6           HB1      HIS   6  39.049 -14.553   7.788
   53    HD1  HIS   6           HD1      HIS   6  38.104 -11.902   7.333
   54    HD2  HIS   6           HD2      HIS   6  35.497 -14.628   9.175
   55    HE1  HIS   6           HE1      HIS   6  36.312 -10.553   8.512
   56    HE2  HIS   6           HE2      HIS   6  34.760 -12.232   9.604
   57    H    LEU   7           HN       LEU   7  37.583 -16.743   4.303
   58    HA   LEU   7           HA       LEU   7  39.904 -18.144   5.038
   59    HB2  LEU   7           HB2      LEU   7  38.056 -18.555   2.592
   60    HB3  LEU   7           HB1      LEU   7  39.231 -19.757   3.230
   61    HG   LEU   7           HG       LEU   7  36.741 -18.679   4.688
   62   HD11  LEU   7          HD11      LEU   7  36.157 -20.095   2.736
   63   HD12  LEU   7          HD12      LEU   7  35.753 -20.917   4.288
   64   HD13  LEU   7          HD13      LEU   7  37.216 -21.417   3.357
   65   HD21  LEU   7          HD21      LEU   7  38.464 -19.315   6.346
   66   HD22  LEU   7          HD22      LEU   7  38.691 -20.913   5.534
   67   HD23  LEU   7          HD23      LEU   7  37.125 -20.515   6.339
   68    H    LYS   8           HN       LYS   8  38.843 -16.581   1.964
   69    HA   LYS   8           HA       LYS   8  41.561 -16.440   0.966
   70    HB2  LYS   8           HB2      LYS   8  39.547 -16.930  -0.526
   71    HB3  LYS   8           HB1      LYS   8  38.911 -15.305  -0.124
   72    HG2  LYS   8           HG2      LYS   8  40.984 -14.296  -1.212
   73    HG3  LYS   8           HG1      LYS   8  41.510 -15.954  -1.663
   74    HD2  LYS   8           HD2      LYS   8  39.447 -16.228  -3.036
   75    HD3  LYS   8           HD1      LYS   8  38.841 -14.630  -2.467
   76    HE2  LYS   8           HE2      LYS   8  40.799 -13.484  -3.573
   77    HE3  LYS   8           HE1      LYS   8  41.376 -15.087  -4.190
   78    HZ1  LYS   8           HZ1      LYS   8  39.297 -15.311  -5.376
   79    HZ2  LYS   8           HZ2      LYS   8  40.108 -13.887  -5.822
   80    HZ3  LYS   8           HZ3      LYS   8  38.759 -13.810  -4.793
   81    H    GLU   9           HN       GLU   9  42.487 -14.235   0.496
   82    HA   GLU   9           HA       GLU   9  41.865 -12.369   2.614
   83    HB2  GLU   9           HB2      GLU   9  43.884 -11.155   1.849
   84    HB3  GLU   9           HB1      GLU   9  44.227 -12.872   2.216
   85    HG2  GLU   9           HG2      GLU   9  44.166 -13.462  -0.204
   86    HG3  GLU   9           HG1      GLU   9  43.783 -11.754  -0.632
   87    H    MET  10           HN       MET  10  42.350  -9.922   1.430
   88    HA   MET  10           HA       MET  10  40.293  -9.739  -0.681
   89    HB2  MET  10           HB2      MET  10  41.030  -7.716   1.475
   90    HB3  MET  10           HB1      MET  10  40.029  -7.365   0.023
   91    HG2  MET  10           HG2      MET  10  38.470  -7.705   1.727
   92    HG3  MET  10           HG1      MET  10  38.434  -9.203   0.752
   93    HE1  MET  10           HE1      MET  10  37.197 -10.637   2.375
   94    HE2  MET  10           HE2      MET  10  36.932  -9.149   3.350
   95    HE3  MET  10           HE3      MET  10  37.453 -10.671   4.153
   96    HA   PRO  11           HA       PRO  11  44.358  -8.497  -2.370
   97    HB2  PRO  11           HB2      PRO  11  43.984  -9.322  -5.017
   98    HB3  PRO  11           HB1      PRO  11  44.379 -10.468  -3.682
   99    HG2  PRO  11           HG1      PRO  11  41.592  -9.782  -4.770
  100    HG3  PRO  11           HG2      PRO  11  42.331 -11.425  -4.549
  101    HD2  PRO  11           HD1      PRO  11  40.684 -10.351  -2.628
  102    HD3  PRO  11           HD2      PRO  11  42.182 -11.250  -2.138
  103    H    GLU  12           HN       GLU  12  41.261  -7.254  -2.616
  104    HA   GLU  12           HA       GLU  12  41.898  -5.333  -4.734
  105    HB2  GLU  12           HB2      GLU  12  39.224  -6.050  -3.403
  106    HB3  GLU  12           HB1      GLU  12  39.452  -4.900  -4.775
  107    HG2  GLU  12           HG2      GLU  12  40.276  -6.779  -6.220
  108    HG3  GLU  12           HG1      GLU  12  40.057  -7.934  -4.853
  109    H    MET  13           HN       MET  13  43.060  -5.223  -1.974
  110    HA   MET  13           HA       MET  13  41.715  -2.847  -0.892
  111    HB2  MET  13           HB2      MET  13  43.963  -4.583   0.257
  112    HB3  MET  13           HB1      MET  13  43.351  -3.067   1.011
  113    HG2  MET  13           HG2      MET  13  41.042  -4.084   1.081
  114    HG3  MET  13           HG1      MET  13  41.744  -5.639   0.549
  115    HE1  MET  13           HE1      MET  13  43.293  -7.200   2.042
  116    HE2  MET  13           HE2      MET  13  44.070  -6.671   3.567
  117    HE3  MET  13           HE3      MET  13  44.516  -5.882   2.020
  118    H    GLU  14           HN       GLU  14  43.114  -0.997  -0.297
  119    HA   GLU  14           HA       GLU  14  45.629  -0.691  -1.614
  120    HB2  GLU  14           HB2      GLU  14  44.948   1.088  -3.172
  121    HB3  GLU  14           HB1      GLU  14  43.990  -0.393  -3.525
  122    HG2  GLU  14           HG2      GLU  14  42.020   0.539  -2.304
  123    HG3  GLU  14           HG1      GLU  14  42.935   2.040  -1.927
  124    H    ASP  15           HN       ASP  15  43.022   0.194   0.431
  125    HA   ASP  15           HA       ASP  15  44.173   2.722   1.201
  126    HB2  ASP  15           HB2      ASP  15  42.354   3.031   2.689
  127    HB3  ASP  15           HB1      ASP  15  41.714   2.485   1.111
  128    H    GLU  16           HN       GLU  16  44.466  -0.609   2.003
  129    HA   GLU  16           HA       GLU  16  45.587  -0.420   4.584
  130    HB2  GLU  16           HB2      GLU  16  44.733  -2.553   3.547
  131    HB3  GLU  16           HB1      GLU  16  46.025  -2.450   2.308
  132    HG2  GLU  16           HG2      GLU  16  47.765  -2.673   4.175
  133    HG3  GLU  16           HG1      GLU  16  46.415  -2.824   5.359
  134    H    PHE  17           HN       PHE  17  46.751  -0.028   1.234
  135    HA   PHE  17           HA       PHE  17  49.497   0.042   1.819
  136    HB2  PHE  17           HB2      PHE  17  48.621  -0.472  -0.468
  137    HB3  PHE  17           HB1      PHE  17  47.972   1.194  -0.588
  138    HD1  PHE  17           HD1      PHE  17  51.117  -0.812  -0.388
  139    HD2  PHE  17           HD2      PHE  17  49.368   3.039  -1.078
  140    HE1  PHE  17           HE1      PHE  17  53.274   0.003  -1.299
  141    HE2  PHE  17           HE2      PHE  17  51.535   3.866  -1.941
  142    HZ   PHE  17           HZ       PHE  17  53.512   2.365  -1.968
  143    H    LEU  18           HN       LEU  18  46.872   2.488   1.667
  144    HA   LEU  18           HA       LEU  18  48.557   4.730   1.724
  145    HB2  LEU  18           HB2      LEU  18  45.625   4.125   2.040
  146    HB3  LEU  18           HB1      LEU  18  46.135   5.703   2.675
  147    HG   LEU  18           HG       LEU  18  46.864   4.754  -0.152
  148   HD11  LEU  18          HD11      LEU  18  44.385   4.733   0.044
  149   HD12  LEU  18          HD12      LEU  18  44.941   6.081  -1.015
  150   HD13  LEU  18          HD13      LEU  18  44.403   6.424   0.673
  151   HD21  LEU  18          HD21      LEU  18  46.782   7.561   1.132
  152   HD22  LEU  18          HD22      LEU  18  47.141   7.213  -0.597
  153   HD23  LEU  18          HD23      LEU  18  48.259   6.627   0.683
  154    H    GLU  19           HN       GLU  19  47.210   2.682   4.309
  155    HA   GLU  19           HA       GLU  19  48.115   4.590   6.344
  156    HB2  GLU  19           HB2      GLU  19  46.609   1.950   6.593
  157    HB3  GLU  19           HB1      GLU  19  47.054   3.037   7.957
  158    HG2  GLU  19           HG2      GLU  19  45.153   3.719   5.616
  159    HG3  GLU  19           HG1      GLU  19  44.718   3.375   7.328
  160    H    TYR  20           HN       TYR  20  49.419   2.058   4.486
  161    HA   TYR  20           HA       TYR  20  51.071   0.851   6.480
  162    HB2  TYR  20           HB2      TYR  20  50.545   0.413   3.684
  163    HB3  TYR  20           HB1      TYR  20  52.144   0.950   3.602
  164    HD1  TYR  20           HD1      TYR  20  50.038  -1.696   5.166
  165    HD2  TYR  20           HD2      TYR  20  53.979  -0.205   4.435
  166    HE1  TYR  20           HE1      TYR  20  50.971  -3.905   5.795
  167    HE2  TYR  20           HE2      TYR  20  54.947  -2.418   5.047
  168    HH   TYR  20           HH       TYR  20  52.832  -5.147   6.059
  169    H    CYS  21           HN       CYS  21  51.189   3.362   4.026
  170    HA   CYS  21           HA       CYS  21  53.809   3.311   3.794
  171    HB2  CYS  21           HB2      CYS  21  51.834   5.494   2.934
  172    HB3  CYS  21           HB1      CYS  21  53.575   5.653   2.552
  173    HG   CYS  21           HG1      CYS  21  52.376   4.825   0.467
  174    H    ALA  22           HN       ALA  22  52.040   4.850   6.237
  175    HA   ALA  22           HA       ALA  22  53.537   7.090   6.947
  176    HB1  ALA  22           HB1      ALA  22  52.283   6.858   9.110
  177    HB2  ALA  22           HB2      ALA  22  51.794   5.181   8.632
  178    HB3  ALA  22           HB3      ALA  22  51.188   6.588   7.697
  179    H    LYS  23           HN       LYS  23  54.223   3.723   7.119
  180    HA   LYS  23           HA       LYS  23  56.468   4.037   8.936
  181    HB2  LYS  23           HB2      LYS  23  55.137   1.866   9.016
  182    HB3  LYS  23           HB1      LYS  23  55.509   1.613   7.288
  183    HG2  LYS  23           HG2      LYS  23  58.055   1.761   8.058
  184    HG3  LYS  23           HG1      LYS  23  57.397   1.598   9.717
  185    HD2  LYS  23           HD2      LYS  23  58.088  -0.579   8.983
  186    HD3  LYS  23           HD1      LYS  23  56.288  -0.589   8.963
  187    HE2  LYS  23           HE2      LYS  23  56.318  -0.292   6.455
  188    HE3  LYS  23           HE1      LYS  23  58.124  -0.181   6.489
  189    HZ1  LYS  23           HZ1      LYS  23  57.356  -2.352   5.872
  190    HZ2  LYS  23           HZ2      LYS  23  56.502  -2.524   7.331
  191    HZ3  LYS  23           HZ3      LYS  23  58.197  -2.416   7.345
  192    H    ASN  24           HN       ASN  24  57.311   5.693   7.622
  193    HA   ASN  24           HA       ASN  24  57.917   5.369   4.935
  194    HB2  ASN  24           HB2      ASN  24  59.187   7.340   6.904
  195    HB3  ASN  24           HB1      ASN  24  59.367   7.391   5.119
  196   HD21  ASN  24          HD21      ASN  24  55.974   8.496   4.491
  197   HD22  ASN  24          HD22      ASN  24  57.292   7.595   3.820
  198    HA   PRO  25           HA       PRO  25  62.346   3.974   6.253
  199    HB2  PRO  25           HB2      PRO  25  61.429   2.393   8.729
  200    HB3  PRO  25           HB1      PRO  25  63.045   3.148   8.434
  201    HG2  PRO  25           HG1      PRO  25  61.192   4.349  10.093
  202    HG3  PRO  25           HG2      PRO  25  62.257   5.323   8.996
  203    HD2  PRO  25           HD1      PRO  25  59.292   4.664   8.599
  204    HD3  PRO  25           HD2      PRO  25  60.273   6.119   8.132
  205    H    SER  26           HN       SER  26  63.020   1.987   5.301
  206    HA   SER  26           HA       SER  26  62.827   0.112   4.254
  207    HB2  SER  26           HB2      SER  26  61.089  -0.659   6.653
  208    HB3  SER  26           HB1      SER  26  61.653  -1.846   5.395
  209    HG   SER  26           HG1      SER  26  63.697  -1.495   5.999
  210    H    TYR  27           HN       TYR  27  61.705   1.698   2.802
  211    HA   TYR  27           HA       TYR  27  58.922   1.544   2.444
  212    HB2  TYR  27           HB2      TYR  27  59.198   3.019   0.659
  213    HB3  TYR  27           HB1      TYR  27  60.492   3.513   1.805
  214    HD1  TYR  27           HD1      TYR  27  59.862   3.499  -1.468
  215    HD2  TYR  27           HD2      TYR  27  62.767   1.692   1.141
  216    HE1  TYR  27           HE1      TYR  27  61.323   3.161  -3.363
  217    HE2  TYR  27           HE2      TYR  27  64.238   1.289  -0.786
  218    HH   TYR  27           HH       TYR  27  64.524   1.510  -3.015
  219    H    GLU  28           HN       GLU  28  61.635  -0.211   1.475
  220    HA   GLU  28           HA       GLU  28  60.912  -1.484  -0.867
  221    HB2  GLU  28           HB2      GLU  28  62.715  -3.200   0.082
  222    HB3  GLU  28           HB1      GLU  28  63.195  -1.542  -0.398
  223    HG2  GLU  28           HG2      GLU  28  63.211  -0.736   1.918
  224    HG3  GLU  28           HG1      GLU  28  62.566  -2.293   2.538
  225    H    GLU  29           HN       GLU  29  60.231  -2.234   2.593
  226    HA   GLU  29           HA       GLU  29  59.151  -4.802   1.985
  227    HB2  GLU  29           HB2      GLU  29  58.867  -2.997   4.441
  228    HB3  GLU  29           HB1      GLU  29  58.224  -4.678   4.326
  229    HG2  GLU  29           HG2      GLU  29  60.530  -5.558   3.926
  230    HG3  GLU  29           HG1      GLU  29  61.207  -3.899   4.076
  231    H    ALA  30           HN       ALA  30  57.896  -1.458   2.094
  232    HA   ALA  30           HA       ALA  30  55.156  -2.289   2.103
  233    HB1  ALA  30           HB1      ALA  30  54.650   0.123   1.753
  234    HB2  ALA  30           HB2      ALA  30  56.396   0.453   1.436
  235    HB3  ALA  30           HB3      ALA  30  55.863  -0.077   3.068
  236    H    TYR  31           HN       TYR  31  57.655  -1.949  -0.327
  237    HA   TYR  31           HA       TYR  31  55.788  -1.659  -2.531
  238    HB2  TYR  31           HB2      TYR  31  57.990  -0.586  -2.828
  239    HB3  TYR  31           HB1      TYR  31  58.801  -1.979  -2.157
  240    HD1  TYR  31           HD1      TYR  31  60.358  -2.483  -3.852
  241    HD2  TYR  31           HD2      TYR  31  56.241  -1.953  -4.915
  242    HE1  TYR  31           HE1      TYR  31  60.828  -3.375  -6.103
  243    HE2  TYR  31           HE2      TYR  31  56.669  -2.919  -7.138
  244    HH   TYR  31           HH       TYR  31  59.978  -3.967  -8.104
  245    H    LEU  32           HN       LEU  32  58.161  -4.091  -1.346
  246    HA   LEU  32           HA       LEU  32  57.519  -5.916  -3.326
  247    HB2  LEU  32           HB2      LEU  32  59.002  -6.183  -0.663
  248    HB3  LEU  32           HB1      LEU  32  58.997  -7.469  -1.908
  249    HG   LEU  32           HG       LEU  32  59.937  -4.579  -2.467
  250   HD11  LEU  32          HD11      LEU  32  62.272  -5.352  -2.121
  251   HD12  LEU  32          HD12      LEU  32  61.689  -6.990  -1.635
  252   HD13  LEU  32          HD13      LEU  32  61.315  -5.557  -0.607
  253   HD21  LEU  32          HD21      LEU  32  60.470  -7.222  -3.974
  254   HD22  LEU  32          HD22      LEU  32  61.161  -5.607  -4.382
  255   HD23  LEU  32          HD23      LEU  32  59.388  -5.882  -4.511
  256    H    LYS  33           HN       LYS  33  56.191  -5.533  -0.086
  257    HA   LYS  33           HA       LYS  33  55.022  -8.071   0.209
  258    HB2  LYS  33           HB2      LYS  33  55.174  -6.348   2.109
  259    HB3  LYS  33           HB1      LYS  33  54.023  -5.341   1.227
  260    HG2  LYS  33           HG2      LYS  33  52.753  -7.926   1.512
  261    HG3  LYS  33           HG1      LYS  33  53.613  -7.610   3.053
  262    HD2  LYS  33           HD2      LYS  33  52.525  -5.313   3.130
  263    HD3  LYS  33           HD1      LYS  33  51.662  -5.717   1.602
  264    HE2  LYS  33           HE2      LYS  33  50.197  -5.972   3.565
  265    HE3  LYS  33           HE1      LYS  33  50.445  -7.586   2.774
  266    HZ1  LYS  33           HZ1      LYS  33  51.843  -6.563   5.194
  267    HZ2  LYS  33           HZ2      LYS  33  52.095  -8.073   4.458
  268    HZ3  LYS  33           HZ3      LYS  33  50.590  -7.709   5.157
  269    H    PHE  34           HN       PHE  34  53.746  -4.930  -0.999
  270    HA   PHE  34           HA       PHE  34  51.205  -5.978  -1.743
  271    HB2  PHE  34           HB2      PHE  34  52.614  -3.260  -2.176
  272    HB3  PHE  34           HB1      PHE  34  50.969  -3.607  -2.776
  273    HD1  PHE  34           HD1      PHE  34  53.047  -3.456   0.316
  274    HD2  PHE  34           HD2      PHE  34  49.079  -3.458  -1.317
  275    HE1  PHE  34           HE1      PHE  34  52.178  -2.698   2.478
  276    HE2  PHE  34           HE2      PHE  34  48.188  -2.723   0.873
  277    HZ   PHE  34           HZ       PHE  34  49.747  -2.271   2.760
  278    H    GLY  35           HN       GLY  35  53.291  -3.988  -3.854
  279    HA2  GLY  35           HA2      GLY  35  54.532  -5.616  -5.423
  280    HA3  GLY  35           HA1      GLY  35  52.855  -5.710  -6.116
  281    H    ASP  36           HN       ASP  36  52.706  -4.397  -7.834
  282    HA   ASP  36           HA       ASP  36  54.419  -2.201  -8.189
  283    HB2  ASP  36           HB2      ASP  36  51.890  -2.952  -9.755
  284    HB3  ASP  36           HB1      ASP  36  53.197  -1.842 -10.319
  285    H    LYS  37           HN       LYS  37  51.909  -2.368  -6.114
  286    HA   LYS  37           HA       LYS  37  50.303  -0.181  -6.473
  287    HB2  LYS  37           HB2      LYS  37  49.966  -2.081  -4.867
  288    HB3  LYS  37           HB1      LYS  37  51.313  -1.450  -3.898
  289    HG2  LYS  37           HG2      LYS  37  49.172  -0.819  -2.897
  290    HG3  LYS  37           HG1      LYS  37  50.067   0.642  -3.438
  291    HD2  LYS  37           HD2      LYS  37  47.703   0.915  -3.858
  292    HD3  LYS  37           HD1      LYS  37  48.589   0.854  -5.419
  293    HE2  LYS  37           HE2      LYS  37  47.833  -1.551  -5.729
  294    HE3  LYS  37           HE1      LYS  37  46.951  -1.458  -4.148
  295    HZ1  LYS  37           HZ1      LYS  37  45.625   0.324  -5.064
  296    HZ2  LYS  37           HZ2      LYS  37  45.516  -1.076  -6.019
  297    HZ3  LYS  37           HZ3      LYS  37  46.459   0.236  -6.542
  298    H    LEU  38           HN       LEU  38  53.554  -0.477  -4.944
  299    HA   LEU  38           HA       LEU  38  53.523   2.249  -4.018
  300    HB2  LEU  38           HB2      LEU  38  54.825   0.341  -2.813
  301    HB3  LEU  38           HB1      LEU  38  55.867   0.249  -4.186
  302    HG   LEU  38           HG       LEU  38  55.579   3.004  -2.991
  303   HD11  LEU  38          HD11      LEU  38  55.479   1.641  -0.921
  304   HD12  LEU  38          HD12      LEU  38  57.038   2.537  -1.037
  305   HD13  LEU  38          HD13      LEU  38  56.983   0.776  -1.400
  306   HD21  LEU  38          HD21      LEU  38  57.223   2.551  -4.797
  307   HD22  LEU  38          HD22      LEU  38  58.028   1.302  -3.775
  308   HD23  LEU  38          HD23      LEU  38  58.066   3.039  -3.278
  309    H    LEU  39           HN       LEU  39  54.593   0.587  -6.952
  310    HA   LEU  39           HA       LEU  39  56.295   2.648  -7.819
  311    HB2  LEU  39           HB2      LEU  39  54.759   0.575  -9.472
  312    HB3  LEU  39           HB1      LEU  39  56.117   1.588 -10.053
  313    HG   LEU  39           HG       LEU  39  56.210  -0.582  -7.873
  314   HD11  LEU  39          HD11      LEU  39  57.461  -0.472 -10.686
  315   HD12  LEU  39          HD12      LEU  39  55.995  -1.412 -10.217
  316   HD13  LEU  39          HD13      LEU  39  57.601  -1.831  -9.504
  317   HD21  LEU  39          HD21      LEU  39  58.706  -0.282  -7.881
  318   HD22  LEU  39          HD22      LEU  39  57.851   1.159  -7.235
  319   HD23  LEU  39          HD23      LEU  39  58.519   1.185  -8.913
  320    H    GLU  40           HN       GLU  40  52.833   1.895  -8.503
  321    HA   GLU  40           HA       GLU  40  52.549   4.025 -10.343
  322    HB2  GLU  40           HB2      GLU  40  50.103   3.567 -10.171
  323    HB3  GLU  40           HB1      GLU  40  51.083   2.107 -10.576
  324    HG2  GLU  40           HG2      GLU  40  50.913   1.373  -8.173
  325    HG3  GLU  40           HG1      GLU  40  49.969   2.825  -7.788
  326    H    TYR  41           HN       TYR  41  51.996   3.760  -6.819
  327    HA   TYR  41           HA       TYR  41  50.468   6.178  -6.650
  328    HB2  TYR  41           HB2      TYR  41  51.671   4.128  -4.719
  329    HB3  TYR  41           HB1      TYR  41  51.295   5.706  -4.056
  330    HD1  TYR  41           HD1      TYR  41  49.641   4.949  -2.543
  331    HD2  TYR  41           HD2      TYR  41  49.053   4.336  -6.776
  332    HE1  TYR  41           HE1      TYR  41  47.321   4.273  -2.147
  333    HE2  TYR  41           HE2      TYR  41  46.742   3.700  -6.364
  334    HH   TYR  41           HH       TYR  41  45.116   3.377  -4.827
  335    H    GLU  42           HN       GLU  42  53.801   5.344  -6.848
  336    HA   GLU  42           HA       GLU  42  54.837   7.745  -5.638
  337    HB2  GLU  42           HB2      GLU  42  56.098   5.607  -5.662
  338    HB3  GLU  42           HB1      GLU  42  56.173   5.667  -7.457
  339    HG2  GLU  42           HG2      GLU  42  57.528   7.828  -7.261
  340    HG3  GLU  42           HG1      GLU  42  57.478   7.645  -5.466
  341    H    LEU  43           HN       LEU  43  54.207   6.485  -8.924
  342    HA   LEU  43           HA       LEU  43  55.111   8.797 -10.294
  343    HB2  LEU  43           HB2      LEU  43  53.333   6.408 -11.038
  344    HB3  LEU  43           HB1      LEU  43  53.800   7.647 -12.239
  345    HG   LEU  43           HG       LEU  43  55.818   5.959 -10.648
  346   HD11  LEU  43          HD11      LEU  43  56.075   4.570 -12.689
  347   HD12  LEU  43          HD12      LEU  43  54.750   5.489 -13.501
  348   HD13  LEU  43          HD13      LEU  43  54.393   4.483 -12.046
  349   HD21  LEU  43          HD21      LEU  43  56.802   8.073 -11.505
  350   HD22  LEU  43          HD22      LEU  43  56.185   7.710 -13.161
  351   HD23  LEU  43          HD23      LEU  43  57.442   6.657 -12.411
  352    H    LEU  44           HN       LEU  44  52.189   7.961  -8.589
  353    HA   LEU  44           HA       LEU  44  50.429   9.631 -10.066
  354    HB2  LEU  44           HB2      LEU  44  49.621   7.597  -9.058
  355    HB3  LEU  44           HB1      LEU  44  50.200   8.123  -7.452
  356    HG   LEU  44           HG       LEU  44  48.482   9.785  -7.265
  357   HD11  LEU  44          HD11      LEU  44  46.707  10.151  -9.022
  358   HD12  LEU  44          HD12      LEU  44  47.625   9.093 -10.159
  359   HD13  LEU  44          HD13      LEU  44  48.332  10.658  -9.602
  360   HD21  LEU  44          HD21      LEU  44  47.880   7.455  -6.683
  361   HD22  LEU  44          HD22      LEU  44  47.300   7.159  -8.364
  362   HD23  LEU  44          HD23      LEU  44  46.443   8.348  -7.315
  363    H    GLY  45           HN       GLY  45  51.172   9.774  -6.483
  364    HA2  GLY  45           HA2      GLY  45  52.537  11.946  -6.198
  365    HA3  GLY  45           HA1      GLY  45  50.945  12.667  -6.671
  366    H    LYS  46           HN       LYS  46  50.567   9.683  -5.036
  367    HA   LYS  46           HA       LYS  46  49.450  10.942  -2.736
  368    HB2  LYS  46           HB2      LYS  46  49.923   8.043  -3.515
  369    HB3  LYS  46           HB1      LYS  46  49.148   8.554  -1.970
  370    HG2  LYS  46           HG2      LYS  46  47.438   9.816  -3.233
  371    HG3  LYS  46           HG1      LYS  46  48.120   9.260  -4.801
  372    HD2  LYS  46           HD2      LYS  46  47.378   7.019  -4.465
  373    HD3  LYS  46           HD1      LYS  46  47.373   7.203  -2.683
  374    HE2  LYS  46           HE2      LYS  46  45.044   7.122  -3.393
  375    HE3  LYS  46           HE1      LYS  46  45.455   8.805  -2.830
  376    HZ1  LYS  46           HZ1      LYS  46  44.149   8.802  -4.840
  377    HZ2  LYS  46           HZ2      LYS  46  45.323   7.885  -5.656
  378    HZ3  LYS  46           HZ3      LYS  46  45.692   9.454  -5.121
  379    H    ILE  47           HN       ILE  47  52.199   8.777  -3.463
  380    HA   ILE  47           HA       ILE  47  53.677   9.689  -1.082
  381    HB   ILE  47           HB       ILE  47  54.993   7.596  -1.391
  382   HG12  ILE  47          HG12      ILE  47  52.573   6.877  -3.179
  383   HG13  ILE  47          HG11      ILE  47  54.237   7.180  -3.769
  384   HG21  ILE  47          HG21      ILE  47  52.006   7.180  -0.732
  385   HG22  ILE  47          HG22      ILE  47  53.224   7.931   0.381
  386   HG23  ILE  47          HG23      ILE  47  53.424   6.222  -0.158
  387   HD11  ILE  47           HD1      ILE  47  55.072   5.318  -2.493
  388   HD12  ILE  47           HD2      ILE  47  53.805   4.757  -3.640
  389   HD13  ILE  47           HD3      ILE  47  53.443   4.886  -1.875
  390    H    LYS  48           HN       LYS  48  56.078   9.729  -1.608
  391    HA   LYS  48           HA       LYS  48  56.702   9.689  -4.437
  392    HB2  LYS  48           HB2      LYS  48  57.678  11.929  -2.541
  393    HB3  LYS  48           HB1      LYS  48  58.218  11.707  -4.240
  394    HG2  LYS  48           HG2      LYS  48  55.904  12.170  -5.043
  395    HG3  LYS  48           HG1      LYS  48  55.362  12.448  -3.355
  396    HD2  LYS  48           HD2      LYS  48  57.505  14.068  -4.870
  397    HD3  LYS  48           HD1      LYS  48  55.802  14.569  -4.597
  398    HE2  LYS  48           HE2      LYS  48  57.944  14.154  -2.393
  399    HE3  LYS  48           HE1      LYS  48  57.318  15.732  -3.011
  400    HZ1  LYS  48           HZ1      LYS  48  56.283  15.088  -0.961
  401    HZ2  LYS  48           HZ2      LYS  48  55.719  13.636  -1.640
  402    HZ3  LYS  48           HZ3      LYS  48  55.139  15.125  -2.216
  403    H    ARG  49           HN       ARG  49  59.324   9.861  -4.459
  404    HA   ARG  49           HA       ARG  49  60.614   8.867  -2.125
  405    HB2  ARG  49           HB2      ARG  49  59.603   6.743  -3.028
  406    HB3  ARG  49           HB1      ARG  49  60.380   7.038  -4.602
  407    HG2  ARG  49           HG2      ARG  49  61.983   6.728  -1.969
  408    HG3  ARG  49           HG1      ARG  49  61.360   5.331  -2.889
  409    HD2  ARG  49           HD2      ARG  49  63.465   7.354  -3.863
  410    HD3  ARG  49           HD1      ARG  49  63.703   5.613  -3.455
  411    HE   ARG  49           HE       ARG  49  61.842   5.329  -5.375
  412   HH11  ARG  49          HH11      ARG  49  62.024   5.433  -7.682
  413   HH12  ARG  49          HH12      ARG  49  63.260   6.393  -8.424
  414   HH21  ARG  49          HH21      ARG  49  64.641   7.569  -5.367
  415   HH22  ARG  49          HH22      ARG  49  64.760   7.623  -7.093
  416    H    ILE  50           HN       ILE  50  62.842   9.505  -2.375
  417    HA   ILE  50           HA       ILE  50  63.724  10.134  -5.044
  418    HB   ILE  50           HB       ILE  50  62.616  12.209  -4.496
  419   HG12  ILE  50          HG12      ILE  50  64.498  13.821  -4.643
  420   HG13  ILE  50          HG11      ILE  50  65.675  12.520  -4.288
  421   HG21  ILE  50          HG21      ILE  50  62.590  11.991  -2.005
  422   HG22  ILE  50          HG22      ILE  50  63.198  13.590  -2.555
  423   HG23  ILE  50          HG23      ILE  50  64.358  12.358  -1.956
  424   HD11  ILE  50           HD1      ILE  50  63.760  12.589  -6.722
  425   HD12  ILE  50           HD2      ILE  50  65.027  11.341  -6.412
  426   HD13  ILE  50           HD3      ILE  50  65.505  13.043  -6.747
  427    H    ASN  51           HN       ASN  51  64.359   9.998  -1.511
  428    HA   ASN  51           HA       ASN  51  67.193   9.889  -1.983
  429    HB2  ASN  51           HB2      ASN  51  66.206  11.140  -0.041
  430    HB3  ASN  51           HB1      ASN  51  65.578   9.610   0.636
  431   HD21  ASN  51          HD21      ASN  51  68.624   9.055   2.383
  432   HD22  ASN  51          HD22      ASN  51  66.901   8.895   2.298
  433    H    HIS  52           HN       HIS  52  65.807   7.765   0.462
  434    HA   HIS  52           HA       HIS  52  66.422   5.417  -1.209
  435    HB2  HIS  52           HB2      HIS  52  67.949   5.554   0.767
  436    HB3  HIS  52           HB1      HIS  52  66.532   5.725   1.854
  437    HD1  HIS  52           HD1      HIS  52  67.542   3.214  -0.893
  438    HD2  HIS  52           HD2      HIS  52  65.904   3.263   2.972
  439    HE1  HIS  52           HE1      HIS  52  67.084   0.810  -0.234
  440    HE2  HIS  52           HE2      HIS  52  66.088   0.886   2.091
  441    H    ILE  53           HN       ILE  53  64.252   7.023   1.203
  442    HA   ILE  53           HA       ILE  53  62.474   4.702   1.040
  443    HB   ILE  53           HB       ILE  53  61.601   5.411   3.190
  444   HG12  ILE  53          HG12      ILE  53  64.027   7.312   3.357
  445   HG13  ILE  53          HG11      ILE  53  62.345   7.853   3.023
  446   HG21  ILE  53          HG21      ILE  53  63.311   3.606   2.872
  447   HG22  ILE  53          HG22      ILE  53  63.485   4.431   4.459
  448   HG23  ILE  53          HG23      ILE  53  64.627   4.816   3.125
  449   HD11  ILE  53           HD1      ILE  53  61.590   6.699   5.137
  450   HD12  ILE  53           HD2      ILE  53  62.693   8.110   5.411
  451   HD13  ILE  53           HD3      ILE  53  63.319   6.425   5.573
  452    H    VAL  54           HN       VAL  54  60.112   5.302   1.423
  453    HA   VAL  54           HA       VAL  54  59.466   7.338  -0.415
  454    HB   VAL  54           HB       VAL  54  57.049   7.021   0.354
  455   HG11  VAL  54          HG11      VAL  54  56.726   4.992  -0.866
  456   HG12  VAL  54          HG12      VAL  54  58.416   4.477  -0.591
  457   HG13  VAL  54          HG13      VAL  54  58.071   5.901  -1.647
  458   HG21  VAL  54          HG21      VAL  54  57.505   6.195   2.680
  459   HG22  VAL  54          HG22      VAL  54  58.294   4.721   2.015
  460   HG23  VAL  54          HG23      VAL  54  56.541   5.011   1.736
  461    H    VAL  55           HN       VAL  55  58.160   9.259   0.104
  462    HA   VAL  55           HA       VAL  55  58.052   9.990   2.944
  463    HB   VAL  55           HB       VAL  55  57.956  12.375   2.257
  464   HG11  VAL  55          HG11      VAL  55  60.411  12.628   1.957
  465   HG12  VAL  55          HG12      VAL  55  60.560  10.900   1.470
  466   HG13  VAL  55          HG13      VAL  55  60.048  11.323   3.147
  467   HG21  VAL  55          HG21      VAL  55  57.273  12.076  -0.146
  468   HG22  VAL  55          HG22      VAL  55  58.866  11.311  -0.513
  469   HG23  VAL  55          HG23      VAL  55  58.785  13.035  -0.012
  470    H    LEU  56           HN       LEU  56  55.972  11.055   3.427
  471    HA   LEU  56           HA       LEU  56  53.838  10.276   1.579
  472    HB2  LEU  56           HB2      LEU  56  53.804  11.688   4.310
  473    HB3  LEU  56           HB1      LEU  56  52.334  11.357   3.334
  474    HG   LEU  56           HG       LEU  56  54.205   9.153   4.387
  475   HD11  LEU  56          HD11      LEU  56  51.605  10.268   5.622
  476   HD12  LEU  56          HD12      LEU  56  53.269  10.428   6.300
  477   HD13  LEU  56          HD13      LEU  56  52.490   8.806   6.185
  478   HD21  LEU  56          HD21      LEU  56  51.338   9.024   3.263
  479   HD22  LEU  56          HD22      LEU  56  52.236   7.660   4.027
  480   HD23  LEU  56          HD23      LEU  56  52.837   8.380   2.488
  481    H    ALA  57           HN       ALA  57  52.529  11.942   0.609
  482    HA   ALA  57           HA       ALA  57  53.881  14.284  -0.136
  483    HB1  ALA  57           HB1      ALA  57  52.099  13.312  -1.566
  484    HB2  ALA  57           HB2      ALA  57  51.704  15.013  -1.140
  485    HB3  ALA  57           HB3      ALA  57  50.873  13.650  -0.291
  486    H    HIS  58           HN       HIS  58  51.337  13.598   2.286
  487    HA   HIS  58           HA       HIS  58  50.597  14.601   4.018
  488    HB2  HIS  58           HB2      HIS  58  52.908  14.894   4.808
  489    HB3  HIS  58           HB1      HIS  58  53.036  16.453   3.937
  490    HD1  HIS  58           HD1      HIS  58  50.632  14.957   6.546
  491    HD2  HIS  58           HD2      HIS  58  52.561  18.569   5.623
  492    HE1  HIS  58           HE1      HIS  58  50.015  16.625   8.352
  493    HE2  HIS  58           HE2      HIS  58  51.198  18.786   7.759
  494    H    HIS  59           HN       HIS  59  51.778  17.820   3.210
  495    HA   HIS  59           HA       HIS  59  49.463  18.369   1.542
  496    HB2  HIS  59           HB2      HIS  59  50.188  20.009   4.045
  497    HB3  HIS  59           HB1      HIS  59  48.998  20.506   2.787
  498    HD1  HIS  59           HD1      HIS  59  46.942  18.662   2.510
  499    HD2  HIS  59           HD2      HIS  59  49.078  18.571   6.121
  500    HE1  HIS  59           HE1      HIS  59  45.522  17.410   4.194
  501    HE2  HIS  59           HE2      HIS  59  46.848  17.369   6.352
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  42.550 -23.270  -0.578
    2    H2   MET   1           HT2      MET   1  43.153 -23.968  -2.005
    3    H3   MET   1           HT3      MET   1  44.200 -23.649  -0.704
    4    HA   MET   1           HA       MET   1  41.960 -25.549  -0.702
    5    HB2  MET   1           HB2      MET   1  43.939 -26.253  -2.117
    6    HB3  MET   1           HB1      MET   1  44.998 -26.105  -0.678
    7    HG2  MET   1           HG2      MET   1  43.555 -27.877   0.464
    8    HG3  MET   1           HG1      MET   1  42.605 -28.019  -1.044
    9    HE1  MET   1           HE1      MET   1  44.577 -31.377  -0.759
   10    HE2  MET   1           HE2      MET   1  42.980 -30.564  -0.892
   11    HE3  MET   1           HE3      MET   1  43.979 -30.348   0.587
   12    H    LEU   2           HN       LEU   2  45.065 -24.802   1.042
   13    HA   LEU   2           HA       LEU   2  43.860 -25.525   3.571
   14    HB2  LEU   2           HB2      LEU   2  46.675 -24.672   2.715
   15    HB3  LEU   2           HB1      LEU   2  46.203 -24.732   4.441
   16    HG   LEU   2           HG       LEU   2  45.597 -27.125   4.240
   17   HD11  LEU   2          HD11      LEU   2  46.928 -26.970   1.456
   18   HD12  LEU   2          HD12      LEU   2  45.228 -27.451   1.828
   19   HD13  LEU   2          HD13      LEU   2  46.588 -28.492   2.362
   20   HD21  LEU   2          HD21      LEU   2  48.516 -26.406   3.549
   21   HD22  LEU   2          HD22      LEU   2  47.950 -27.930   4.333
   22   HD23  LEU   2          HD23      LEU   2  47.759 -26.353   5.186
   23    H    LYS   3           HN       LYS   3  44.345 -23.966   5.438
   24    HA   LYS   3           HA       LYS   3  43.086 -21.445   4.782
   25    HB2  LYS   3           HB2      LYS   3  42.395 -23.030   6.656
   26    HB3  LYS   3           HB1      LYS   3  43.847 -22.500   7.556
   27    HG2  LYS   3           HG2      LYS   3  41.713 -20.578   6.422
   28    HG3  LYS   3           HG1      LYS   3  41.531 -21.377   8.018
   29    HD2  LYS   3           HD2      LYS   3  43.514 -20.297   8.914
   30    HD3  LYS   3           HD1      LYS   3  43.913 -19.541   7.341
   31    HE2  LYS   3           HE2      LYS   3  41.326 -18.993   8.925
   32    HE3  LYS   3           HE1      LYS   3  42.804 -17.935   8.925
   33    HZ1  LYS   3           HZ1      LYS   3  41.138 -17.152   7.408
   34    HZ2  LYS   3           HZ2      LYS   3  41.140 -18.626   6.564
   35    HZ3  LYS   3           HZ3      LYS   3  42.527 -17.646   6.563
   36    H    ASP   4           HN       ASP   4  44.305 -19.708   4.289
   37    HA   ASP   4           HA       ASP   4  47.001 -19.473   5.456
   38    HB2  ASP   4           HB2      ASP   4  45.827 -18.183   2.910
   39    HB3  ASP   4           HB1      ASP   4  47.479 -17.876   3.568
   40    H    TYR   5           HN       TYR   5  47.593 -17.309   6.128
   41    HA   TYR   5           HA       TYR   5  45.306 -15.918   7.323
   42    HB2  TYR   5           HB2      TYR   5  48.250 -15.930   8.101
   43    HB3  TYR   5           HB1      TYR   5  46.926 -15.059   8.980
   44    HD1  TYR   5           HD1      TYR   5  45.004 -16.416   9.924
   45    HD2  TYR   5           HD2      TYR   5  48.616 -18.255   8.494
   46    HE1  TYR   5           HE1      TYR   5  44.435 -18.479  11.150
   47    HE2  TYR   5           HE2      TYR   5  48.048 -20.326   9.708
   48    HH   TYR   5           HH       TYR   5  45.035 -20.589  11.655
   49    H    HIS   6           HN       HIS   6  47.758 -13.922   7.652
   50    HA   HIS   6           HA       HIS   6  46.975 -12.149   5.545
   51    HB2  HIS   6           HB2      HIS   6  47.677 -11.614   7.987
   52    HB3  HIS   6           HB1      HIS   6  49.362 -11.811   7.460
   53    HD1  HIS   6           HD1      HIS   6  46.295  -9.807   6.259
   54    HD2  HIS   6           HD2      HIS   6  50.473  -9.449   6.478
   55    HE1  HIS   6           HE1      HIS   6  46.903  -7.513   5.372
   56    HE2  HIS   6           HE2      HIS   6  49.424  -7.340   5.513
   57    H    LEU   7           HN       LEU   7  49.058 -14.651   5.884
   58    HA   LEU   7           HA       LEU   7  51.351 -14.359   4.507
   59    HB2  LEU   7           HB2      LEU   7  49.325 -16.651   4.111
   60    HB3  LEU   7           HB1      LEU   7  51.085 -16.742   3.753
   61    HG   LEU   7           HG       LEU   7  49.809 -16.322   6.527
   62   HD11  LEU   7          HD11      LEU   7  49.335 -18.576   5.613
   63   HD12  LEU   7          HD12      LEU   7  50.494 -18.665   6.990
   64   HD13  LEU   7          HD13      LEU   7  51.091 -18.840   5.296
   65   HD21  LEU   7          HD21      LEU   7  52.758 -16.798   5.752
   66   HD22  LEU   7          HD22      LEU   7  52.098 -16.786   7.431
   67   HD23  LEU   7          HD23      LEU   7  52.061 -15.283   6.442
   68    H    LYS   8           HN       LYS   8  48.144 -15.066   3.000
   69    HA   LYS   8           HA       LYS   8  49.083 -14.376   0.364
   70    HB2  LYS   8           HB2      LYS   8  47.197 -16.045   0.750
   71    HB3  LYS   8           HB1      LYS   8  46.219 -14.708   1.427
   72    HG2  LYS   8           HG2      LYS   8  46.541 -13.515  -0.883
   73    HG3  LYS   8           HG1      LYS   8  47.286 -15.041  -1.446
   74    HD2  LYS   8           HD2      LYS   8  44.986 -15.027  -2.173
   75    HD3  LYS   8           HD1      LYS   8  45.134 -16.254  -0.870
   76    HE2  LYS   8           HE2      LYS   8  43.023 -14.926  -0.651
   77    HE3  LYS   8           HE1      LYS   8  44.096 -14.624   0.770
   78    HZ1  LYS   8           HZ1      LYS   8  43.138 -12.611  -0.072
   79    HZ2  LYS   8           HZ2      LYS   8  43.798 -12.872  -1.615
   80    HZ3  LYS   8           HZ3      LYS   8  44.823 -12.587  -0.291
   81    H    GLU   9           HN       GLU   9  49.162 -12.283  -0.405
   82    HA   GLU   9           HA       GLU   9  48.431 -10.163   1.397
   83    HB2  GLU   9           HB2      GLU   9  49.545  -8.669  -0.231
   84    HB3  GLU   9           HB1      GLU   9  50.619  -9.928   0.436
   85    HG2  GLU   9           HG2      GLU   9  49.183 -10.298  -2.249
   86    HG3  GLU   9           HG1      GLU   9  50.733  -9.386  -2.119
   87    H    MET  10           HN       MET  10  47.300  -8.187   0.423
   88    HA   MET  10           HA       MET  10  45.282  -9.030  -1.561
   89    HB2  MET  10           HB2      MET  10  44.874  -7.385   0.982
   90    HB3  MET  10           HB1      MET  10  43.664  -7.519  -0.342
   91    HG2  MET  10           HG2      MET  10  43.579  -9.980  -0.054
   92    HG3  MET  10           HG1      MET  10  44.759  -9.894   1.286
   93    HE1  MET  10           HE1      MET  10  42.927  -8.261   4.232
   94    HE2  MET  10           HE2      MET  10  44.013  -7.457   3.054
   95    HE3  MET  10           HE3      MET  10  44.379  -9.125   3.617
   96    HA   PRO  11           HA       PRO  11  47.097  -5.298  -3.324
   97    HB2  PRO  11           HB2      PRO  11  46.231  -7.024  -5.733
   98    HB3  PRO  11           HB1      PRO  11  47.676  -5.942  -5.605
   99    HG2  PRO  11           HG1      PRO  11  47.855  -8.693  -5.337
  100    HG3  PRO  11           HG2      PRO  11  48.855  -7.583  -4.296
  101    HD2  PRO  11           HD1      PRO  11  46.324  -9.146  -3.599
  102    HD3  PRO  11           HD2      PRO  11  47.784  -8.715  -2.607
  103    H    GLU  12           HN       GLU  12  44.055  -6.839  -3.091
  104    HA   GLU  12           HA       GLU  12  42.670  -5.215  -4.975
  105    HB2  GLU  12           HB2      GLU  12  40.625  -6.433  -4.154
  106    HB3  GLU  12           HB1      GLU  12  41.935  -7.516  -4.735
  107    HG2  GLU  12           HG2      GLU  12  42.724  -7.883  -2.411
  108    HG3  GLU  12           HG1      GLU  12  41.428  -6.800  -1.782
  109    H    MET  13           HN       MET  13  43.981  -4.506  -2.188
  110    HA   MET  13           HA       MET  13  41.904  -2.571  -1.385
  111    HB2  MET  13           HB2      MET  13  44.200  -3.723   0.309
  112    HB3  MET  13           HB1      MET  13  43.025  -2.463   0.839
  113    HG2  MET  13           HG2      MET  13  41.159  -4.113   0.437
  114    HG3  MET  13           HG1      MET  13  42.375  -5.380   0.094
  115    HE1  MET  13           HE1      MET  13  39.924  -5.217   2.296
  116    HE2  MET  13           HE2      MET  13  40.695  -6.268   3.534
  117    HE3  MET  13           HE3      MET  13  40.872  -6.654   1.787
  118    H    GLU  14           HN       GLU  14  43.083  -0.582  -0.343
  119    HA   GLU  14           HA       GLU  14  45.544   0.130  -1.687
  120    HB2  GLU  14           HB2      GLU  14  44.534   2.143  -2.759
  121    HB3  GLU  14           HB1      GLU  14  43.753   0.651  -3.385
  122    HG2  GLU  14           HG2      GLU  14  41.802   1.003  -1.829
  123    HG3  GLU  14           HG1      GLU  14  42.531   2.544  -1.258
  124    H    ASP  15           HN       ASP  15  42.971   0.472   0.614
  125    HA   ASP  15           HA       ASP  15  44.042   2.818   1.834
  126    HB2  ASP  15           HB2      ASP  15  42.353   2.684   3.477
  127    HB3  ASP  15           HB1      ASP  15  41.615   2.447   1.865
  128    H    GLU  16           HN       GLU  16  44.345  -0.669   2.100
  129    HA   GLU  16           HA       GLU  16  45.686  -0.879   4.535
  130    HB2  GLU  16           HB2      GLU  16  44.772  -2.827   3.214
  131    HB3  GLU  16           HB1      GLU  16  46.032  -2.548   1.969
  132    HG2  GLU  16           HG2      GLU  16  47.813  -2.986   3.766
  133    HG3  GLU  16           HG1      GLU  16  46.491  -3.352   4.929
  134    H    PHE  17           HN       PHE  17  46.784  -0.269   1.145
  135    HA   PHE  17           HA       PHE  17  49.509  -0.127   1.736
  136    HB2  PHE  17           HB2      PHE  17  48.577  -0.464  -0.581
  137    HB3  PHE  17           HB1      PHE  17  47.933   1.207  -0.558
  138    HD1  PHE  17           HD1      PHE  17  51.053  -0.849  -0.482
  139    HD2  PHE  17           HD2      PHE  17  49.392   3.071  -1.016
  140    HE1  PHE  17           HE1      PHE  17  53.230  -0.043  -1.347
  141    HE2  PHE  17           HE2      PHE  17  51.600   3.891  -1.801
  142    HZ   PHE  17           HZ       PHE  17  53.532   2.333  -1.900
  143    H    LEU  18           HN       LEU  18  46.900   2.342   1.727
  144    HA   LEU  18           HA       LEU  18  48.573   4.553   1.856
  145    HB2  LEU  18           HB2      LEU  18  45.685   3.917   2.059
  146    HB3  LEU  18           HB1      LEU  18  46.082   5.408   2.921
  147    HG   LEU  18           HG       LEU  18  46.958   4.818   0.039
  148   HD11  LEU  18          HD11      LEU  18  44.456   6.380   0.948
  149   HD12  LEU  18          HD12      LEU  18  44.476   4.763   0.147
  150   HD13  LEU  18          HD13      LEU  18  45.052   6.217  -0.748
  151   HD21  LEU  18          HD21      LEU  18  47.264   7.292  -0.152
  152   HD22  LEU  18          HD22      LEU  18  48.301   6.604   1.145
  153   HD23  LEU  18          HD23      LEU  18  46.792   7.491   1.576
  154    H    GLU  19           HN       GLU  19  47.565   2.374   4.452
  155    HA   GLU  19           HA       GLU  19  48.103   4.453   6.465
  156    HB2  GLU  19           HB2      GLU  19  46.930   1.650   6.689
  157    HB3  GLU  19           HB1      GLU  19  47.305   2.711   8.093
  158    HG2  GLU  19           HG2      GLU  19  45.300   3.359   5.830
  159    HG3  GLU  19           HG1      GLU  19  44.916   2.827   7.505
  160    H    TYR  20           HN       TYR  20  49.523   1.845   4.746
  161    HA   TYR  20           HA       TYR  20  51.491   1.094   6.728
  162    HB2  TYR  20           HB2      TYR  20  50.883   0.480   3.776
  163    HB3  TYR  20           HB1      TYR  20  52.410  -0.029   4.428
  164    HD1  TYR  20           HD1      TYR  20  52.340  -2.293   4.393
  165    HD2  TYR  20           HD2      TYR  20  49.196  -0.201   6.420
  166    HE1  TYR  20           HE1      TYR  20  51.466  -4.444   5.235
  167    HE2  TYR  20           HE2      TYR  20  48.327  -2.334   7.292
  168    HH   TYR  20           HH       TYR  20  49.880  -5.471   6.458
  169    H    CYS  21           HN       CYS  21  50.946   3.397   4.256
  170    HA   CYS  21           HA       CYS  21  53.559   3.684   3.367
  171    HB2  CYS  21           HB2      CYS  21  51.371   5.873   3.425
  172    HB3  CYS  21           HB1      CYS  21  52.946   6.077   2.608
  173    HG   CYS  21           HG1      CYS  21  51.159   5.755   0.847
  174    H    ALA  22           HN       ALA  22  51.859   4.863   6.168
  175    HA   ALA  22           HA       ALA  22  53.398   7.063   6.916
  176    HB1  ALA  22           HB1      ALA  22  51.075   6.605   7.737
  177    HB2  ALA  22           HB2      ALA  22  52.222   6.788   9.115
  178    HB3  ALA  22           HB3      ALA  22  51.670   5.144   8.601
  179    H    LYS  23           HN       LYS  23  54.055   3.667   7.006
  180    HA   LYS  23           HA       LYS  23  56.292   3.978   8.846
  181    HB2  LYS  23           HB2      LYS  23  54.953   1.818   8.958
  182    HB3  LYS  23           HB1      LYS  23  55.354   1.527   7.243
  183    HG2  LYS  23           HG2      LYS  23  57.884   1.703   8.044
  184    HG3  LYS  23           HG1      LYS  23  57.206   1.580   9.697
  185    HD2  LYS  23           HD2      LYS  23  57.908  -0.616   9.029
  186    HD3  LYS  23           HD1      LYS  23  56.108  -0.626   8.984
  187    HE2  LYS  23           HE2      LYS  23  56.184  -0.372   6.464
  188    HE3  LYS  23           HE1      LYS  23  57.991  -0.293   6.532
  189    HZ1  LYS  23           HZ1      LYS  23  58.003  -2.510   7.439
  190    HZ2  LYS  23           HZ2      LYS  23  57.191  -2.464   5.950
  191    HZ3  LYS  23           HZ3      LYS  23  56.306  -2.585   7.395
  192    H    ASN  24           HN       ASN  24  57.153   5.607   7.540
  193    HA   ASN  24           HA       ASN  24  57.820   5.338   4.873
  194    HB2  ASN  24           HB2      ASN  24  59.143   7.134   6.986
  195    HB3  ASN  24           HB1      ASN  24  59.375   7.281   5.209
  196   HD21  ASN  24          HD21      ASN  24  56.009   8.510   4.564
  197   HD22  ASN  24          HD22      ASN  24  57.261   7.521   3.889
  198    HA   PRO  25           HA       PRO  25  62.183   3.823   6.148
  199    HB2  PRO  25           HB2      PRO  25  62.188   2.189   8.526
  200    HB3  PRO  25           HB1      PRO  25  62.851   3.875   8.396
  201    HG2  PRO  25           HG1      PRO  25  60.082   2.981   9.341
  202    HG3  PRO  25           HG2      PRO  25  61.173   4.230  10.078
  203    HD2  PRO  25           HD1      PRO  25  59.095   4.999   8.493
  204    HD3  PRO  25           HD2      PRO  25  60.715   5.786   8.242
  205    H    SER  26           HN       SER  26  62.857   1.825   5.276
  206    HA   SER  26           HA       SER  26  62.670  -0.071   4.295
  207    HB2  SER  26           HB2      SER  26  60.918  -0.786   6.701
  208    HB3  SER  26           HB1      SER  26  61.412  -1.991   5.431
  209    HG   SER  26           HG1      SER  26  62.986  -0.511   7.242
  210    H    TYR  27           HN       TYR  27  61.666   1.448   2.753
  211    HA   TYR  27           HA       TYR  27  58.866   1.408   2.387
  212    HB2  TYR  27           HB2      TYR  27  59.171   2.849   0.612
  213    HB3  TYR  27           HB1      TYR  27  60.483   3.335   1.743
  214    HD1  TYR  27           HD1      TYR  27  62.665   1.338   1.004
  215    HD2  TYR  27           HD2      TYR  27  59.866   3.455  -1.486
  216    HE1  TYR  27           HE1      TYR  27  64.101   0.955  -0.952
  217    HE2  TYR  27           HE2      TYR  27  61.308   3.149  -3.403
  218    HH   TYR  27           HH       TYR  27  64.387   1.266  -3.167
  219    H    GLU  28           HN       GLU  28  61.501  -0.478   1.501
  220    HA   GLU  28           HA       GLU  28  60.718  -1.771  -0.835
  221    HB2  GLU  28           HB2      GLU  28  62.425  -3.553   0.156
  222    HB3  GLU  28           HB1      GLU  28  63.008  -1.940  -0.357
  223    HG2  GLU  28           HG2      GLU  28  63.113  -1.078   1.900
  224    HG3  GLU  28           HG1      GLU  28  62.300  -2.515   2.600
  225    H    GLU  29           HN       GLU  29  59.908  -2.261   2.604
  226    HA   GLU  29           HA       GLU  29  58.722  -4.848   2.105
  227    HB2  GLU  29           HB2      GLU  29  58.774  -3.007   4.548
  228    HB3  GLU  29           HB1      GLU  29  58.077  -4.672   4.538
  229    HG2  GLU  29           HG2      GLU  29  60.274  -5.661   3.993
  230    HG3  GLU  29           HG1      GLU  29  61.035  -4.034   3.905
  231    H    ALA  30           HN       ALA  30  57.778  -1.727   1.352
  232    HA   ALA  30           HA       ALA  30  54.927  -2.304   1.795
  233    HB1  ALA  30           HB1      ALA  30  55.683  -0.131   2.781
  234    HB2  ALA  30           HB2      ALA  30  54.546   0.123   1.404
  235    HB3  ALA  30           HB3      ALA  30  56.320   0.371   1.177
  236    H    TYR  31           HN       TYR  31  57.577  -1.972  -0.513
  237    HA   TYR  31           HA       TYR  31  55.798  -1.679  -2.785
  238    HB2  TYR  31           HB2      TYR  31  57.995  -0.554  -2.959
  239    HB3  TYR  31           HB1      TYR  31  58.809  -1.977  -2.341
  240    HD1  TYR  31           HD1      TYR  31  60.388  -2.365  -4.068
  241    HD2  TYR  31           HD2      TYR  31  56.260  -1.871  -5.110
  242    HE1  TYR  31           HE1      TYR  31  60.865  -3.187  -6.345
  243    HE2  TYR  31           HE2      TYR  31  56.689  -2.790  -7.345
  244    HH   TYR  31           HH       TYR  31  60.015  -3.749  -8.354
  245    H    LEU  32           HN       LEU  32  58.194  -4.100  -1.601
  246    HA   LEU  32           HA       LEU  32  57.569  -5.918  -3.609
  247    HB2  LEU  32           HB2      LEU  32  59.020  -6.245  -0.927
  248    HB3  LEU  32           HB1      LEU  32  59.073  -7.450  -2.246
  249    HG   LEU  32           HG       LEU  32  59.979  -4.507  -2.575
  250   HD11  LEU  32          HD11      LEU  32  62.315  -5.280  -2.255
  251   HD12  LEU  32          HD12      LEU  32  61.742  -6.953  -1.896
  252   HD13  LEU  32          HD13      LEU  32  61.334  -5.599  -0.777
  253   HD21  LEU  32          HD21      LEU  32  60.575  -7.017  -4.277
  254   HD22  LEU  32          HD22      LEU  32  61.248  -5.365  -4.544
  255   HD23  LEU  32          HD23      LEU  32  59.482  -5.654  -4.728
  256    H    LYS  33           HN       LYS  33  56.297  -5.490  -0.381
  257    HA   LYS  33           HA       LYS  33  55.152  -8.024   0.012
  258    HB2  LYS  33           HB2      LYS  33  55.538  -6.293   1.821
  259    HB3  LYS  33           HB1      LYS  33  54.281  -5.277   1.111
  260    HG2  LYS  33           HG2      LYS  33  53.351  -8.070   1.746
  261    HG3  LYS  33           HG1      LYS  33  54.009  -7.178   3.163
  262    HD2  LYS  33           HD2      LYS  33  52.488  -5.298   2.706
  263    HD3  LYS  33           HD1      LYS  33  51.887  -6.118   1.225
  264    HE2  LYS  33           HE2      LYS  33  51.552  -7.052   4.177
  265    HE3  LYS  33           HE1      LYS  33  50.273  -6.403   3.075
  266    HZ1  LYS  33           HZ1      LYS  33  51.765  -8.935   2.695
  267    HZ2  LYS  33           HZ2      LYS  33  50.557  -8.317   1.676
  268    HZ3  LYS  33           HZ3      LYS  33  50.173  -8.776   3.265
  269    H    PHE  34           HN       PHE  34  53.899  -4.926  -1.305
  270    HA   PHE  34           HA       PHE  34  51.299  -6.023  -1.910
  271    HB2  PHE  34           HB2      PHE  34  52.621  -3.260  -2.322
  272    HB3  PHE  34           HB1      PHE  34  50.990  -3.654  -2.936
  273    HD1  PHE  34           HD1      PHE  34  49.095  -3.467  -1.499
  274    HD2  PHE  34           HD2      PHE  34  53.041  -3.578   0.185
  275    HE1  PHE  34           HE1      PHE  34  48.187  -2.804   0.707
  276    HE2  PHE  34           HE2      PHE  34  52.163  -2.963   2.360
  277    HZ   PHE  34           HZ       PHE  34  49.726  -2.520   2.652
  278    H    GLY  35           HN       GLY  35  53.236  -3.931  -4.031
  279    HA2  GLY  35           HA2      GLY  35  54.540  -5.528  -5.623
  280    HA3  GLY  35           HA1      GLY  35  52.865  -5.599  -6.325
  281    H    ASP  36           HN       ASP  36  52.789  -4.251  -8.028
  282    HA   ASP  36           HA       ASP  36  54.434  -1.999  -8.259
  283    HB2  ASP  36           HB2      ASP  36  53.144  -1.581 -10.399
  284    HB3  ASP  36           HB1      ASP  36  53.853  -3.217 -10.241
  285    H    LYS  37           HN       LYS  37  51.883  -2.282  -6.248
  286    HA   LYS  37           HA       LYS  37  50.282  -0.086  -6.506
  287    HB2  LYS  37           HB2      LYS  37  49.963  -2.046  -4.973
  288    HB3  LYS  37           HB1      LYS  37  51.319  -1.452  -3.991
  289    HG2  LYS  37           HG2      LYS  37  49.218  -0.860  -2.926
  290    HG3  LYS  37           HG1      LYS  37  50.058   0.635  -3.457
  291    HD2  LYS  37           HD2      LYS  37  47.685   0.870  -3.817
  292    HD3  LYS  37           HD1      LYS  37  48.506   0.817  -5.411
  293    HE2  LYS  37           HE2      LYS  37  47.780  -1.586  -5.703
  294    HE3  LYS  37           HE1      LYS  37  47.015  -1.550  -4.062
  295    HZ1  LYS  37           HZ1      LYS  37  45.431  -1.198  -5.811
  296    HZ2  LYS  37           HZ2      LYS  37  46.281   0.158  -6.381
  297    HZ3  LYS  37           HZ3      LYS  37  45.559   0.192  -4.843
  298    H    LEU  38           HN       LEU  38  53.545  -0.419  -5.006
  299    HA   LEU  38           HA       LEU  38  53.509   2.266  -3.979
  300    HB2  LEU  38           HB2      LEU  38  54.822   0.358  -2.843
  301    HB3  LEU  38           HB1      LEU  38  55.847   0.292  -4.231
  302    HG   LEU  38           HG       LEU  38  55.563   3.020  -2.965
  303   HD11  LEU  38          HD11      LEU  38  57.013   0.756  -1.473
  304   HD12  LEU  38          HD12      LEU  38  55.519   1.602  -0.935
  305   HD13  LEU  38          HD13      LEU  38  57.073   2.505  -1.058
  306   HD21  LEU  38          HD21      LEU  38  58.015   1.366  -3.841
  307   HD22  LEU  38          HD22      LEU  38  58.044   3.088  -3.295
  308   HD23  LEU  38          HD23      LEU  38  57.184   2.636  -4.815
  309    H    LEU  39           HN       LEU  39  54.615   0.710  -6.977
  310    HA   LEU  39           HA       LEU  39  56.285   2.807  -7.787
  311    HB2  LEU  39           HB2      LEU  39  54.723   0.812  -9.508
  312    HB3  LEU  39           HB1      LEU  39  56.078   1.844 -10.063
  313    HG   LEU  39           HG       LEU  39  56.205  -0.390  -7.947
  314   HD11  LEU  39          HD11      LEU  39  57.337  -0.240 -10.806
  315   HD12  LEU  39          HD12      LEU  39  55.906  -1.204 -10.276
  316   HD13  LEU  39          HD13      LEU  39  57.549  -1.610  -9.648
  317   HD21  LEU  39          HD21      LEU  39  57.880   1.330  -7.337
  318   HD22  LEU  39          HD22      LEU  39  58.494   1.374  -9.035
  319   HD23  LEU  39          HD23      LEU  39  58.701  -0.109  -8.032
  320    H    GLU  40           HN       GLU  40  52.809   2.094  -8.484
  321    HA   GLU  40           HA       GLU  40  52.511   4.329 -10.184
  322    HB2  GLU  40           HB2      GLU  40  50.054   3.924  -9.942
  323    HB3  GLU  40           HB1      GLU  40  50.986   2.489 -10.511
  324    HG2  GLU  40           HG2      GLU  40  50.881   1.502  -8.233
  325    HG3  GLU  40           HG1      GLU  40  50.087   2.957  -7.598
  326    H    TYR  41           HN       TYR  41  52.021   3.906  -6.643
  327    HA   TYR  41           HA       TYR  41  50.518   6.320  -6.376
  328    HB2  TYR  41           HB2      TYR  41  51.672   4.164  -4.552
  329    HB3  TYR  41           HB1      TYR  41  51.443   5.757  -3.813
  330    HD1  TYR  41           HD1      TYR  41  49.127   4.358  -6.486
  331    HD2  TYR  41           HD2      TYR  41  49.709   5.331  -2.322
  332    HE1  TYR  41           HE1      TYR  41  46.744   4.054  -6.086
  333    HE2  TYR  41           HE2      TYR  41  47.301   5.089  -1.957
  334    HH   TYR  41           HH       TYR  41  45.052   4.180  -4.591
  335    H    GLU  42           HN       GLU  42  53.855   5.450  -6.525
  336    HA   GLU  42           HA       GLU  42  54.965   7.773  -5.312
  337    HB2  GLU  42           HB2      GLU  42  56.195   5.633  -5.611
  338    HB3  GLU  42           HB1      GLU  42  56.160   5.862  -7.391
  339    HG2  GLU  42           HG2      GLU  42  57.539   7.994  -7.082
  340    HG3  GLU  42           HG1      GLU  42  57.613   7.631  -5.315
  341    H    LEU  43           HN       LEU  43  54.337   6.782  -8.721
  342    HA   LEU  43           HA       LEU  43  55.099   9.253  -9.832
  343    HB2  LEU  43           HB2      LEU  43  53.787   6.675 -10.768
  344    HB3  LEU  43           HB1      LEU  43  53.649   8.109 -11.818
  345    HG   LEU  43           HG       LEU  43  56.152   8.402 -11.693
  346   HD11  LEU  43          HD11      LEU  43  56.728   6.955  -9.736
  347   HD12  LEU  43          HD12      LEU  43  57.610   6.468 -11.223
  348   HD13  LEU  43          HD13      LEU  43  56.202   5.500 -10.670
  349   HD21  LEU  43          HD21      LEU  43  56.580   6.725 -13.492
  350   HD22  LEU  43          HD22      LEU  43  54.964   7.502 -13.687
  351   HD23  LEU  43          HD23      LEU  43  55.086   5.828 -13.023
  352    H    LEU  44           HN       LEU  44  52.174   8.208  -8.239
  353    HA   LEU  44           HA       LEU  44  50.388   9.860  -9.711
  354    HB2  LEU  44           HB2      LEU  44  49.593   7.781  -8.806
  355    HB3  LEU  44           HB1      LEU  44  50.152   8.237  -7.170
  356    HG   LEU  44           HG       LEU  44  48.407   9.865  -6.917
  357   HD11  LEU  44          HD11      LEU  44  47.562   9.265  -9.834
  358   HD12  LEU  44          HD12      LEU  44  48.244  10.819  -9.222
  359   HD13  LEU  44          HD13      LEU  44  46.626  10.267  -8.661
  360   HD21  LEU  44          HD21      LEU  44  46.410   8.406  -6.960
  361   HD22  LEU  44          HD22      LEU  44  47.868   7.472  -6.455
  362   HD23  LEU  44          HD23      LEU  44  47.220   7.291  -8.125
  363    H    GLY  45           HN       GLY  45  51.118   9.873  -6.142
  364    HA2  GLY  45           HA2      GLY  45  52.271  12.019  -5.522
  365    HA3  GLY  45           HA1      GLY  45  50.772  12.787  -6.194
  366    H    LYS  46           HN       LYS  46  51.223   9.739  -4.386
  367    HA   LYS  46           HA       LYS  46  49.386  10.696  -2.299
  368    HB2  LYS  46           HB2      LYS  46  50.276   7.905  -3.150
  369    HB3  LYS  46           HB1      LYS  46  49.206   8.217  -1.743
  370    HG2  LYS  46           HG2      LYS  46  48.366   9.267  -4.499
  371    HG3  LYS  46           HG1      LYS  46  48.341   7.509  -4.205
  372    HD2  LYS  46           HD2      LYS  46  46.133   8.389  -3.807
  373    HD3  LYS  46           HD1      LYS  46  46.832   7.746  -2.288
  374    HE2  LYS  46           HE2      LYS  46  45.555   9.848  -1.890
  375    HE3  LYS  46           HE1      LYS  46  47.301  10.090  -1.497
  376    HZ1  LYS  46           HZ1      LYS  46  47.583  11.121  -3.654
  377    HZ2  LYS  46           HZ2      LYS  46  46.388  11.916  -2.746
  378    HZ3  LYS  46           HZ3      LYS  46  45.941  10.888  -4.022
  379    H    ILE  47           HN       ILE  47  52.229   8.661  -2.972
  380    HA   ILE  47           HA       ILE  47  53.691   9.664  -0.627
  381    HB   ILE  47           HB       ILE  47  55.222   7.743  -1.163
  382   HG12  ILE  47          HG12      ILE  47  52.890   6.514  -2.675
  383   HG13  ILE  47          HG11      ILE  47  53.930   7.636  -3.585
  384   HG21  ILE  47          HG21      ILE  47  53.785   6.097  -0.027
  385   HG22  ILE  47          HG22      ILE  47  52.311   7.066  -0.398
  386   HG23  ILE  47          HG23      ILE  47  53.577   7.727   0.710
  387   HD11  ILE  47           HD1      ILE  47  54.880   5.215  -2.064
  388   HD12  ILE  47           HD2      ILE  47  55.953   6.298  -3.022
  389   HD13  ILE  47           HD3      ILE  47  54.693   5.288  -3.843
  390    H    LYS  48           HN       LYS  48  56.173   9.702  -1.349
  391    HA   LYS  48           HA       LYS  48  56.513   9.612  -4.175
  392    HB2  LYS  48           HB2      LYS  48  57.834  11.885  -2.514
  393    HB3  LYS  48           HB1      LYS  48  58.157  11.568  -4.252
  394    HG2  LYS  48           HG2      LYS  48  55.815  12.194  -4.813
  395    HG3  LYS  48           HG1      LYS  48  55.492  12.569  -3.083
  396    HD2  LYS  48           HD2      LYS  48  57.607  13.954  -4.842
  397    HD3  LYS  48           HD1      LYS  48  55.964  14.591  -4.468
  398    HE2  LYS  48           HE2      LYS  48  56.550  14.643  -2.007
  399    HE3  LYS  48           HE1      LYS  48  58.224  14.076  -2.411
  400    HZ1  LYS  48           HZ1      LYS  48  58.507  16.042  -3.756
  401    HZ2  LYS  48           HZ2      LYS  48  58.110  16.444  -2.154
  402    HZ3  LYS  48           HZ3      LYS  48  56.939  16.576  -3.377
  403    H    ARG  49           HN       ARG  49  59.219   9.830  -4.348
  404    HA   ARG  49           HA       ARG  49  60.553   8.810  -2.062
  405    HB2  ARG  49           HB2      ARG  49  59.527   6.677  -2.951
  406    HB3  ARG  49           HB1      ARG  49  60.301   6.972  -4.535
  407    HG2  ARG  49           HG2      ARG  49  62.100   6.910  -2.081
  408    HG3  ARG  49           HG1      ARG  49  61.299   5.382  -2.565
  409    HD2  ARG  49           HD2      ARG  49  62.291   5.544  -4.863
  410    HD3  ARG  49           HD1      ARG  49  63.133   7.082  -4.389
  411    HE   ARG  49           HE       ARG  49  63.685   4.893  -2.518
  412   HH11  ARG  49          HH11      ARG  49  65.755   3.823  -2.630
  413   HH12  ARG  49          HH12      ARG  49  66.780   4.043  -4.009
  414   HH21  ARG  49          HH21      ARG  49  64.556   6.220  -5.726
  415   HH22  ARG  49          HH22      ARG  49  66.090   5.420  -5.789
  416    H    ILE  50           HN       ILE  50  62.823   9.255  -2.367
  417    HA   ILE  50           HA       ILE  50  63.715   9.855  -5.018
  418    HB   ILE  50           HB       ILE  50  62.750  12.019  -4.432
  419   HG12  ILE  50          HG12      ILE  50  64.743  13.483  -4.648
  420   HG13  ILE  50          HG11      ILE  50  65.830  12.096  -4.328
  421   HG21  ILE  50          HG21      ILE  50  63.494  13.343  -2.507
  422   HG22  ILE  50          HG22      ILE  50  64.609  12.040  -1.974
  423   HG23  ILE  50          HG23      ILE  50  62.825  11.776  -1.928
  424   HD11  ILE  50           HD1      ILE  50  63.847  12.309  -6.700
  425   HD12  ILE  50           HD2      ILE  50  65.031  10.973  -6.429
  426   HD13  ILE  50           HD3      ILE  50  65.618  12.636  -6.782
  427    H    ASN  51           HN       ASN  51  64.285   9.641  -1.491
  428    HA   ASN  51           HA       ASN  51  67.129   9.596  -1.878
  429    HB2  ASN  51           HB2      ASN  51  65.405   9.287   0.664
  430    HB3  ASN  51           HB1      ASN  51  67.208   9.410   0.629
  431   HD21  ASN  51          HD21      ASN  51  65.082  12.791   0.834
  432   HD22  ASN  51          HD22      ASN  51  64.522  11.214   1.284
  433    H    HIS  52           HN       HIS  52  65.721   7.486   0.544
  434    HA   HIS  52           HA       HIS  52  66.516   5.121  -1.001
  435    HB2  HIS  52           HB2      HIS  52  67.254   4.044   1.091
  436    HB3  HIS  52           HB1      HIS  52  68.265   5.463   0.680
  437    HD1  HIS  52           HD1      HIS  52  67.853   4.162   3.558
  438    HD2  HIS  52           HD2      HIS  52  66.193   7.773   2.207
  439    HE1  HIS  52           HE1      HIS  52  67.414   5.601   5.595
  440    HE2  HIS  52           HE2      HIS  52  66.431   7.771   4.735
  441    H    ILE  53           HN       ILE  53  64.283   6.820   1.167
  442    HA   ILE  53           HA       ILE  53  62.519   4.463   1.150
  443    HB   ILE  53           HB       ILE  53  61.630   5.159   3.281
  444   HG12  ILE  53          HG12      ILE  53  64.017   7.103   3.484
  445   HG13  ILE  53          HG11      ILE  53  62.332   7.607   3.131
  446   HG21  ILE  53          HG21      ILE  53  63.528   4.226   4.601
  447   HG22  ILE  53          HG22      ILE  53  64.660   4.566   3.253
  448   HG23  ILE  53          HG23      ILE  53  63.334   3.364   3.036
  449   HD11  ILE  53           HD1      ILE  53  61.574   6.451   5.239
  450   HD12  ILE  53           HD2      ILE  53  62.651   7.880   5.520
  451   HD13  ILE  53           HD3      ILE  53  63.303   6.206   5.696
  452    H    VAL  54           HN       VAL  54  60.160   5.178   1.527
  453    HA   VAL  54           HA       VAL  54  59.552   7.233  -0.335
  454    HB   VAL  54           HB       VAL  54  57.150   6.971   0.445
  455   HG11  VAL  54          HG11      VAL  54  58.474   4.404  -0.500
  456   HG12  VAL  54          HG12      VAL  54  58.105   5.821  -1.556
  457   HG13  VAL  54          HG13      VAL  54  56.778   4.916  -0.739
  458   HG21  VAL  54          HG21      VAL  54  58.347   4.642   2.105
  459   HG22  VAL  54          HG22      VAL  54  56.600   4.981   1.841
  460   HG23  VAL  54          HG23      VAL  54  57.604   6.140   2.773
  461    H    VAL  55           HN       VAL  55  58.258   9.154   0.213
  462    HA   VAL  55           HA       VAL  55  58.242   9.916   3.046
  463    HB   VAL  55           HB       VAL  55  58.155  12.296   2.325
  464   HG11  VAL  55          HG11      VAL  55  60.596  12.514   1.927
  465   HG12  VAL  55          HG12      VAL  55  60.709  10.777   1.461
  466   HG13  VAL  55          HG13      VAL  55  60.267  11.231   3.151
  467   HG21  VAL  55          HG21      VAL  55  58.893  12.909   0.014
  468   HG22  VAL  55          HG22      VAL  55  57.373  11.956  -0.048
  469   HG23  VAL  55          HG23      VAL  55  58.947  11.177  -0.460
  470    H    LEU  56           HN       LEU  56  56.204  11.246   3.456
  471    HA   LEU  56           HA       LEU  56  54.000  10.348   1.728
  472    HB2  LEU  56           HB2      LEU  56  54.092  11.830   4.416
  473    HB3  LEU  56           HB1      LEU  56  52.578  11.598   3.481
  474    HG   LEU  56           HG       LEU  56  54.293   9.256   4.489
  475   HD11  LEU  56          HD11      LEU  56  53.557  10.624   6.428
  476   HD12  LEU  56          HD12      LEU  56  52.654   9.065   6.364
  477   HD13  LEU  56          HD13      LEU  56  51.855  10.590   5.829
  478   HD21  LEU  56          HD21      LEU  56  52.173   7.960   4.203
  479   HD22  LEU  56          HD22      LEU  56  52.768   8.634   2.638
  480   HD23  LEU  56          HD23      LEU  56  51.378   9.411   3.489
  481    H    ALA  57           HN       ALA  57  52.642  12.004   0.777
  482    HA   ALA  57           HA       ALA  57  54.004  14.434   0.077
  483    HB1  ALA  57           HB1      ALA  57  52.506  13.305  -1.575
  484    HB2  ALA  57           HB2      ALA  57  51.925  14.967  -1.201
  485    HB3  ALA  57           HB3      ALA  57  51.111  13.534  -0.462
  486    H    HIS  58           HN       HIS  58  51.851  13.289   2.581
  487    HA   HIS  58           HA       HIS  58  50.915  15.862   3.425
  488    HB2  HIS  58           HB2      HIS  58  51.069  13.179   4.933
  489    HB3  HIS  58           HB1      HIS  58  50.170  14.642   5.481
  490    HD1  HIS  58           HD1      HIS  58  48.550  12.187   5.239
  491    HD2  HIS  58           HD2      HIS  58  49.168  14.674   1.913
  492    HE1  HIS  58           HE1      HIS  58  46.666  11.742   3.604
  493    HE2  HIS  58           HE2      HIS  58  47.074  13.261   1.617
  494    H    HIS  59           HN       HIS  59  51.988  17.245   4.800
  495    HA   HIS  59           HA       HIS  59  54.653  16.423   5.705
  496    HB2  HIS  59           HB2      HIS  59  54.513  18.424   4.207
  497    HB3  HIS  59           HB1      HIS  59  53.406  19.208   5.380
  498    HD1  HIS  59           HD1      HIS  59  56.905  17.603   5.499
  499    HD2  HIS  59           HD2      HIS  59  54.808  20.869   7.097
  500    HE1  HIS  59           HE1      HIS  59  58.534  18.920   6.924
  501    HE2  HIS  59           HE2      HIS  59  57.229  20.874   7.874
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  46.452 -23.812 -15.678
    2    H2   MET   1           HT2      MET   1  46.435 -25.437 -15.179
    3    H3   MET   1           HT3      MET   1  47.131 -24.248 -14.184
    4    HA   MET   1           HA       MET   1  44.292 -24.428 -14.937
    5    HB2  MET   1           HB2      MET   1  45.701 -24.980 -12.245
    6    HB3  MET   1           HB1      MET   1  43.918 -24.933 -12.480
    7    HG2  MET   1           HG2      MET   1  44.082 -26.825 -14.106
    8    HG3  MET   1           HG1      MET   1  45.850 -26.913 -13.828
    9    HE1  MET   1           HE1      MET   1  43.892 -29.330 -13.656
   10    HE2  MET   1           HE2      MET   1  44.535 -30.184 -12.213
   11    HE3  MET   1           HE3      MET   1  45.666 -29.413 -13.378
   12    H    LEU   2           HN       LEU   2  43.158 -22.590 -14.699
   13    HA   LEU   2           HA       LEU   2  42.556 -20.578 -14.276
   14    HB2  LEU   2           HB2      LEU   2  44.294 -20.788 -11.774
   15    HB3  LEU   2           HB1      LEU   2  43.417 -19.292 -12.194
   16    HG   LEU   2           HG       LEU   2  41.267 -20.505 -12.249
   17   HD11  LEU   2          HD11      LEU   2  41.053 -22.677 -10.966
   18   HD12  LEU   2          HD12      LEU   2  42.848 -22.847 -10.992
   19   HD13  LEU   2          HD13      LEU   2  41.906 -22.879 -12.532
   20   HD21  LEU   2          HD21      LEU   2  41.010 -20.531  -9.771
   21   HD22  LEU   2          HD22      LEU   2  42.006 -19.132 -10.318
   22   HD23  LEU   2          HD23      LEU   2  42.804 -20.569  -9.575
   23    H    LYS   3           HN       LYS   3  43.531 -18.152 -13.828
   24    HA   LYS   3           HA       LYS   3  46.160 -17.967 -15.080
   25    HB2  LYS   3           HB2      LYS   3  44.140 -17.548 -16.762
   26    HB3  LYS   3           HB1      LYS   3  43.968 -15.990 -15.909
   27    HG2  LYS   3           HG2      LYS   3  46.464 -17.106 -17.356
   28    HG3  LYS   3           HG1      LYS   3  45.325 -15.886 -18.019
   29    HD2  LYS   3           HD2      LYS   3  46.017 -14.254 -16.247
   30    HD3  LYS   3           HD1      LYS   3  47.189 -15.443 -15.595
   31    HE2  LYS   3           HE2      LYS   3  47.267 -14.276 -18.457
   32    HE3  LYS   3           HE1      LYS   3  48.315 -13.781 -17.067
   33    HZ1  LYS   3           HZ1      LYS   3  49.183 -16.007 -16.979
   34    HZ2  LYS   3           HZ2      LYS   3  49.415 -15.319 -18.514
   35    HZ3  LYS   3           HZ3      LYS   3  48.204 -16.486 -18.281
   36    H    ASP   4           HN       ASP   4  47.332 -17.032 -13.518
   37    HA   ASP   4           HA       ASP   4  46.252 -14.693 -12.185
   38    HB2  ASP   4           HB2      ASP   4  45.834 -16.690 -10.623
   39    HB3  ASP   4           HB1      ASP   4  47.594 -17.040 -10.677
   40    H    TYR   5           HN       TYR   5  48.068 -13.407 -11.327
   41    HA   TYR   5           HA       TYR   5  50.531 -13.784 -12.894
   42    HB2  TYR   5           HB2      TYR   5  49.281 -11.274 -11.702
   43    HB3  TYR   5           HB1      TYR   5  50.860 -11.332 -12.582
   44    HD1  TYR   5           HD1      TYR   5  47.156 -11.576 -12.950
   45    HD2  TYR   5           HD2      TYR   5  50.952 -11.652 -14.959
   46    HE1  TYR   5           HE1      TYR   5  46.018 -11.183 -15.098
   47    HE2  TYR   5           HE2      TYR   5  49.820 -11.245 -17.118
   48    HH   TYR   5           HH       TYR   5  46.247 -10.875 -17.315
   49    H    HIS   6           HN       HIS   6  51.261 -11.529 -10.808
   50    HA   HIS   6           HA       HIS   6  52.343 -13.255  -8.742
   51    HB2  HIS   6           HB2      HIS   6  52.615 -10.284  -9.363
   52    HB3  HIS   6           HB1      HIS   6  53.457 -11.103  -8.010
   53    HD1  HIS   6           HD1      HIS   6  54.913 -13.345  -9.039
   54    HD2  HIS   6           HD2      HIS   6  54.170 -10.115 -11.615
   55    HE1  HIS   6           HE1      HIS   6  56.583 -13.496 -10.939
   56    HE2  HIS   6           HE2      HIS   6  56.097 -11.536 -12.470
   57    H    LEU   7           HN       LEU   7  49.351 -11.961  -9.279
   58    HA   LEU   7           HA       LEU   7  49.040 -10.351  -6.981
   59    HB2  LEU   7           HB2      LEU   7  46.935 -11.654  -8.815
   60    HB3  LEU   7           HB1      LEU   7  46.571 -10.415  -7.563
   61    HG   LEU   7           HG       LEU   7  48.398  -9.989 -10.006
   62   HD11  LEU   7          HD11      LEU   7  46.526  -8.675 -10.974
   63   HD12  LEU   7          HD12      LEU   7  45.478  -9.103  -9.569
   64   HD13  LEU   7          HD13      LEU   7  46.048 -10.391 -10.698
   65   HD21  LEU   7          HD21      LEU   7  48.181  -7.552  -9.468
   66   HD22  LEU   7          HD22      LEU   7  49.000  -8.454  -8.145
   67   HD23  LEU   7          HD23      LEU   7  47.272  -7.963  -7.965
   68    H    LYS   8           HN       LYS   8  49.051 -11.138  -4.988
   69    HA   LYS   8           HA       LYS   8  48.378 -13.919  -4.508
   70    HB2  LYS   8           HB2      LYS   8  49.481 -13.530  -2.310
   71    HB3  LYS   8           HB1      LYS   8  50.532 -13.085  -3.692
   72    HG2  LYS   8           HG2      LYS   8  49.829 -10.630  -3.341
   73    HG3  LYS   8           HG1      LYS   8  48.962 -11.166  -1.867
   74    HD2  LYS   8           HD2      LYS   8  51.064 -10.271  -1.159
   75    HD3  LYS   8           HD1      LYS   8  51.141 -12.051  -0.941
   76    HE2  LYS   8           HE2      LYS   8  53.289 -11.153  -1.841
   77    HE3  LYS   8           HE1      LYS   8  52.518 -12.232  -3.069
   78    HZ1  LYS   8           HZ1      LYS   8  51.674 -10.267  -4.173
   79    HZ2  LYS   8           HZ2      LYS   8  53.366 -10.222  -4.035
   80    HZ3  LYS   8           HZ3      LYS   8  52.406  -9.260  -3.017
   81    H    GLU   9           HN       GLU   9  47.026 -10.704  -4.216
   82    HA   GLU   9           HA       GLU   9  45.006 -11.619  -2.328
   83    HB2  GLU   9           HB2      GLU   9  45.069  -9.326  -1.355
   84    HB3  GLU   9           HB1      GLU   9  46.667 -10.147  -1.234
   85    HG2  GLU   9           HG2      GLU   9  47.462  -8.903  -3.288
   86    HG3  GLU   9           HG1      GLU   9  45.902  -8.002  -3.312
   87    H    MET  10           HN       MET  10  43.264  -9.507  -2.554
   88    HA   MET  10           HA       MET  10  42.645  -9.408  -5.384
   89    HB2  MET  10           HB2      MET  10  40.815 -10.160  -3.954
   90    HB3  MET  10           HB1      MET  10  41.064  -8.771  -2.847
   91    HG2  MET  10           HG2      MET  10  39.111  -8.369  -4.275
   92    HG3  MET  10           HG1      MET  10  40.432  -7.200  -4.576
   93    HE1  MET  10           HE1      MET  10  38.108  -7.186  -6.421
   94    HE2  MET  10           HE2      MET  10  38.829  -7.243  -8.067
   95    HE3  MET  10           HE3      MET  10  39.612  -6.267  -6.779
   96    HA   PRO  11           HA       PRO  11  44.347  -5.190  -4.638
   97    HB2  PRO  11           HB2      PRO  11  44.509  -4.330  -7.292
   98    HB3  PRO  11           HB1      PRO  11  45.659  -5.492  -6.551
   99    HG2  PRO  11           HG1      PRO  11  43.153  -6.200  -8.175
  100    HG3  PRO  11           HG2      PRO  11  44.863  -6.743  -8.464
  101    HD2  PRO  11           HD1      PRO  11  43.147  -8.318  -7.012
  102    HD3  PRO  11           HD2      PRO  11  44.854  -8.087  -6.439
  103    H    GLU  12           HN       GLU  12  41.795  -5.449  -3.831
  104    HA   GLU  12           HA       GLU  12  40.412  -3.205  -5.080
  105    HB2  GLU  12           HB2      GLU  12  39.108  -5.372  -4.723
  106    HB3  GLU  12           HB1      GLU  12  39.402  -5.205  -2.962
  107    HG2  GLU  12           HG2      GLU  12  38.052  -3.069  -2.961
  108    HG3  GLU  12           HG1      GLU  12  37.821  -3.216  -4.744
  109    H    MET  13           HN       MET  13  42.444  -4.190  -2.731
  110    HA   MET  13           HA       MET  13  41.775  -2.190  -0.701
  111    HB2  MET  13           HB2      MET  13  44.037  -4.269  -0.782
  112    HB3  MET  13           HB1      MET  13  43.677  -3.176   0.603
  113    HG2  MET  13           HG2      MET  13  41.423  -4.206   0.838
  114    HG3  MET  13           HG1      MET  13  41.773  -5.330  -0.511
  115    HE1  MET  13           HE1      MET  13  43.266  -7.331  -0.490
  116    HE2  MET  13           HE2      MET  13  44.447  -7.766   0.791
  117    HE3  MET  13           HE3      MET  13  44.711  -6.300  -0.205
  118    H    GLU  14           HN       GLU  14  43.168  -0.416  -0.192
  119    HA   GLU  14           HA       GLU  14  45.590  -0.006  -1.632
  120    HB2  GLU  14           HB2      GLU  14  44.854   1.942  -2.963
  121    HB3  GLU  14           HB1      GLU  14  43.906   0.496  -3.442
  122    HG2  GLU  14           HG2      GLU  14  41.952   1.267  -2.090
  123    HG3  GLU  14           HG1      GLU  14  42.866   2.728  -1.568
  124    H    ASP  15           HN       ASP  15  43.034   0.920   0.553
  125    HA   ASP  15           HA       ASP  15  44.435   3.273   1.428
  126    HB2  ASP  15           HB2      ASP  15  42.748   3.694   3.007
  127    HB3  ASP  15           HB1      ASP  15  41.982   3.311   1.434
  128    H    GLU  16           HN       GLU  16  44.349  -0.112   2.133
  129    HA   GLU  16           HA       GLU  16  45.598  -0.209   4.626
  130    HB2  GLU  16           HB2      GLU  16  44.564  -2.184   3.484
  131    HB3  GLU  16           HB1      GLU  16  45.774  -2.056   2.167
  132    HG2  GLU  16           HG2      GLU  16  47.616  -2.577   3.855
  133    HG3  GLU  16           HG1      GLU  16  46.355  -2.733   5.133
  134    H    PHE  17           HN       PHE  17  46.825  -0.030   1.231
  135    HA   PHE  17           HA       PHE  17  49.539  -0.021   1.818
  136    HB2  PHE  17           HB2      PHE  17  48.653  -0.468  -0.462
  137    HB3  PHE  17           HB1      PHE  17  47.966   1.177  -0.547
  138    HD1  PHE  17           HD1      PHE  17  49.320   3.071  -1.117
  139    HD2  PHE  17           HD2      PHE  17  51.134  -0.766  -0.487
  140    HE1  PHE  17           HE1      PHE  17  51.455   3.919  -2.047
  141    HE2  PHE  17           HE2      PHE  17  53.235   0.061  -1.487
  142    HZ   PHE  17           HZ       PHE  17  53.431   2.432  -2.174
  143    H    LEU  18           HN       LEU  18  47.132   2.643   1.630
  144    HA   LEU  18           HA       LEU  18  49.037   4.711   1.713
  145    HB2  LEU  18           HB2      LEU  18  46.025   4.440   2.016
  146    HB3  LEU  18           HB1      LEU  18  46.743   6.017   2.356
  147    HG   LEU  18           HG       LEU  18  47.147   4.459  -0.270
  148   HD11  LEU  18          HD11      LEU  18  45.499   6.000  -1.314
  149   HD12  LEU  18          HD12      LEU  18  45.174   6.762   0.290
  150   HD13  LEU  18          HD13      LEU  18  44.747   5.031   0.006
  151   HD21  LEU  18          HD21      LEU  18  48.973   6.108   0.134
  152   HD22  LEU  18          HD22      LEU  18  47.753   7.413   0.387
  153   HD23  LEU  18          HD23      LEU  18  47.922   6.624  -1.225
  154    H    GLU  19           HN       GLU  19  47.733   2.697   4.282
  155    HA   GLU  19           HA       GLU  19  48.147   4.722   6.328
  156    HB2  GLU  19           HB2      GLU  19  46.102   3.527   6.607
  157    HB3  GLU  19           HB1      GLU  19  46.807   2.008   5.961
  158    HG2  GLU  19           HG2      GLU  19  48.083   1.609   7.951
  159    HG3  GLU  19           HG1      GLU  19  47.520   3.152   8.730
  160    H    TYR  20           HN       TYR  20  49.478   1.848   4.790
  161    HA   TYR  20           HA       TYR  20  51.362   1.145   6.811
  162    HB2  TYR  20           HB2      TYR  20  50.904   0.516   3.834
  163    HB3  TYR  20           HB1      TYR  20  52.341  -0.098   4.600
  164    HD1  TYR  20           HD1      TYR  20  49.098  -0.007   6.521
  165    HD2  TYR  20           HD2      TYR  20  52.025  -2.348   4.440
  166    HE1  TYR  20           HE1      TYR  20  48.067  -2.058   7.400
  167    HE2  TYR  20           HE2      TYR  20  50.993  -4.419   5.300
  168    HH   TYR  20           HH       TYR  20  49.339  -5.313   6.544
  169    H    CYS  21           HN       CYS  21  51.134   3.372   4.220
  170    HA   CYS  21           HA       CYS  21  53.859   3.486   3.621
  171    HB2  CYS  21           HB2      CYS  21  51.571   5.408   2.983
  172    HB3  CYS  21           HB1      CYS  21  53.256   5.882   2.599
  173    HG   CYS  21           HG1      CYS  21  52.148   5.070   0.458
  174    H    ALA  22           HN       ALA  22  52.053   4.691   6.257
  175    HA   ALA  22           HA       ALA  22  53.468   6.983   7.013
  176    HB1  ALA  22           HB1      ALA  22  51.948   4.938   8.742
  177    HB2  ALA  22           HB2      ALA  22  51.195   6.333   7.899
  178    HB3  ALA  22           HB3      ALA  22  52.384   6.623   9.225
  179    H    LYS  23           HN       LYS  23  54.275   3.602   7.047
  180    HA   LYS  23           HA       LYS  23  56.494   3.939   8.892
  181    HB2  LYS  23           HB2      LYS  23  55.155   1.784   8.973
  182    HB3  LYS  23           HB1      LYS  23  55.625   1.474   7.273
  183    HG2  LYS  23           HG2      LYS  23  58.076   1.488   8.028
  184    HG3  LYS  23           HG1      LYS  23  57.507   1.767   9.704
  185    HD2  LYS  23           HD2      LYS  23  58.023  -0.577   9.501
  186    HD3  LYS  23           HD1      LYS  23  56.240  -0.414   9.615
  187    HE2  LYS  23           HE2      LYS  23  56.843  -2.137   7.938
  188    HE3  LYS  23           HE1      LYS  23  56.079  -0.737   7.089
  189    HZ1  LYS  23           HZ1      LYS  23  58.992  -1.290   7.318
  190    HZ2  LYS  23           HZ2      LYS  23  58.292   0.042   6.530
  191    HZ3  LYS  23           HZ3      LYS  23  58.016  -1.531   5.950
  192    H    ASN  24           HN       ASN  24  57.342   5.587   7.606
  193    HA   ASN  24           HA       ASN  24  58.050   5.371   4.958
  194    HB2  ASN  24           HB2      ASN  24  59.291   7.138   7.143
  195    HB3  ASN  24           HB1      ASN  24  59.599   7.317   5.379
  196   HD21  ASN  24          HD21      ASN  24  56.276   8.996   7.018
  197   HD22  ASN  24          HD22      ASN  24  57.605   8.372   7.938
  198    HA   PRO  25           HA       PRO  25  62.432   3.897   6.167
  199    HB2  PRO  25           HB2      PRO  25  62.500   2.218   8.505
  200    HB3  PRO  25           HB1      PRO  25  63.113   3.926   8.414
  201    HG2  PRO  25           HG1      PRO  25  60.378   2.930   9.358
  202    HG3  PRO  25           HG2      PRO  25  61.441   4.187  10.121
  203    HD2  PRO  25           HD1      PRO  25  59.327   4.937   8.567
  204    HD3  PRO  25           HD2      PRO  25  60.920   5.784   8.341
  205    H    SER  26           HN       SER  26  63.043   1.997   5.133
  206    HA   SER  26           HA       SER  26  62.835   0.146   4.071
  207    HB2  SER  26           HB2      SER  26  61.323  -0.733   6.577
  208    HB3  SER  26           HB1      SER  26  61.717  -1.870   5.211
  209    HG   SER  26           HG1      SER  26  63.820  -1.583   5.604
  210    H    TYR  27           HN       TYR  27  61.641   1.742   2.735
  211    HA   TYR  27           HA       TYR  27  58.837   1.569   2.516
  212    HB2  TYR  27           HB2      TYR  27  59.003   3.086   0.756
  213    HB3  TYR  27           HB1      TYR  27  60.345   3.575   1.858
  214    HD1  TYR  27           HD1      TYR  27  62.640   1.934   1.087
  215    HD2  TYR  27           HD2      TYR  27  59.508   3.491  -1.419
  216    HE1  TYR  27           HE1      TYR  27  64.053   1.586  -0.892
  217    HE2  TYR  27           HE2      TYR  27  60.910   3.142  -3.396
  218    HH   TYR  27           HH       TYR  27  62.883   2.374  -4.199
  219    H    GLU  28           HN       GLU  28  61.531  -0.116   1.379
  220    HA   GLU  28           HA       GLU  28  60.709  -1.342  -0.953
  221    HB2  GLU  28           HB2      GLU  28  62.571  -3.058  -0.164
  222    HB3  GLU  28           HB1      GLU  28  63.017  -1.374  -0.583
  223    HG2  GLU  28           HG2      GLU  28  63.138  -0.679   1.759
  224    HG3  GLU  28           HG1      GLU  28  62.507  -2.257   2.338
  225    H    GLU  29           HN       GLU  29  60.117  -2.118   2.505
  226    HA   GLU  29           HA       GLU  29  59.085  -4.715   1.936
  227    HB2  GLU  29           HB2      GLU  29  58.849  -2.874   4.367
  228    HB3  GLU  29           HB1      GLU  29  58.094  -4.507   4.279
  229    HG2  GLU  29           HG2      GLU  29  60.298  -5.578   3.930
  230    HG3  GLU  29           HG1      GLU  29  61.120  -3.978   3.952
  231    H    ALA  30           HN       ALA  30  57.736  -1.388   2.129
  232    HA   ALA  30           HA       ALA  30  55.033  -2.323   2.036
  233    HB1  ALA  30           HB1      ALA  30  54.439   0.091   1.776
  234    HB2  ALA  30           HB2      ALA  30  56.184   0.494   1.545
  235    HB3  ALA  30           HB3      ALA  30  55.605  -0.138   3.127
  236    H    TYR  31           HN       TYR  31  57.543  -1.866  -0.335
  237    HA   TYR  31           HA       TYR  31  55.705  -1.517  -2.557
  238    HB2  TYR  31           HB2      TYR  31  57.902  -0.441  -2.826
  239    HB3  TYR  31           HB1      TYR  31  58.710  -1.831  -2.147
  240    HD1  TYR  31           HD1      TYR  31  60.337  -2.133  -3.837
  241    HD2  TYR  31           HD2      TYR  31  56.197  -1.983  -4.922
  242    HE1  TYR  31           HE1      TYR  31  60.900  -2.996  -6.078
  243    HE2  TYR  31           HE2      TYR  31  56.723  -2.924  -7.138
  244    HH   TYR  31           HH       TYR  31  58.348  -3.632  -8.534
  245    H    LEU  32           HN       LEU  32  58.073  -3.983  -1.431
  246    HA   LEU  32           HA       LEU  32  57.400  -5.754  -3.446
  247    HB2  LEU  32           HB2      LEU  32  58.919  -6.095  -0.812
  248    HB3  LEU  32           HB1      LEU  32  58.896  -7.345  -2.094
  249    HG   LEU  32           HG       LEU  32  59.833  -4.440  -2.579
  250   HD11  LEU  32          HD11      LEU  32  61.589  -6.881  -1.853
  251   HD12  LEU  32          HD12      LEU  32  61.239  -5.479  -0.776
  252   HD13  LEU  32          HD13      LEU  32  62.171  -5.232  -2.299
  253   HD21  LEU  32          HD21      LEU  32  61.024  -5.413  -4.545
  254   HD22  LEU  32          HD22      LEU  32  59.247  -5.671  -4.656
  255   HD23  LEU  32          HD23      LEU  32  60.327  -7.036  -4.180
  256    H    LYS  33           HN       LYS  33  56.126  -5.471  -0.170
  257    HA   LYS  33           HA       LYS  33  54.965  -8.009   0.078
  258    HB2  LYS  33           HB2      LYS  33  55.201  -6.395   2.003
  259    HB3  LYS  33           HB1      LYS  33  54.051  -5.299   1.216
  260    HG2  LYS  33           HG2      LYS  33  52.819  -7.963   1.502
  261    HG3  LYS  33           HG1      LYS  33  53.513  -7.442   3.070
  262    HD2  LYS  33           HD2      LYS  33  52.263  -5.346   3.029
  263    HD3  LYS  33           HD1      LYS  33  51.735  -5.654   1.331
  264    HE2  LYS  33           HE2      LYS  33  50.279  -7.465   1.975
  265    HE3  LYS  33           HE1      LYS  33  50.855  -7.422   3.702
  266    HZ1  LYS  33           HZ1      LYS  33  49.940  -5.203   3.863
  267    HZ2  LYS  33           HZ2      LYS  33  48.751  -6.321   3.395
  268    HZ3  LYS  33           HZ3      LYS  33  49.416  -5.259   2.250
  269    H    PHE  34           HN       PHE  34  53.719  -4.878  -1.168
  270    HA   PHE  34           HA       PHE  34  51.157  -5.932  -1.895
  271    HB2  PHE  34           HB2      PHE  34  52.585  -3.222  -2.323
  272    HB3  PHE  34           HB1      PHE  34  50.950  -3.557  -2.975
  273    HD1  PHE  34           HD1      PHE  34  49.014  -3.431  -1.515
  274    HD2  PHE  34           HD2      PHE  34  52.972  -3.415   0.138
  275    HE1  PHE  34           HE1      PHE  34  48.097  -2.838   0.712
  276    HE2  PHE  34           HE2      PHE  34  52.076  -2.844   2.336
  277    HZ   PHE  34           HZ       PHE  34  49.640  -2.472   2.638
  278    H    GLY  35           HN       GLY  35  53.282  -3.968  -3.991
  279    HA2  GLY  35           HA2      GLY  35  54.591  -5.549  -5.511
  280    HA3  GLY  35           HA1      GLY  35  52.937  -5.790  -6.208
  281    H    ASP  36           HN       ASP  36  52.415  -4.470  -7.802
  282    HA   ASP  36           HA       ASP  36  54.119  -2.313  -8.459
  283    HB2  ASP  36           HB2      ASP  36  51.449  -3.131  -9.726
  284    HB3  ASP  36           HB1      ASP  36  52.691  -2.055 -10.472
  285    H    LYS  37           HN       LYS  37  51.847  -2.368  -6.117
  286    HA   LYS  37           HA       LYS  37  50.185  -0.203  -6.556
  287    HB2  LYS  37           HB2      LYS  37  49.852  -2.052  -4.889
  288    HB3  LYS  37           HB1      LYS  37  51.199  -1.375  -3.941
  289    HG2  LYS  37           HG2      LYS  37  49.050  -0.720  -2.968
  290    HG3  LYS  37           HG1      LYS  37  49.947   0.716  -3.560
  291    HD2  LYS  37           HD2      LYS  37  47.643   1.043  -3.978
  292    HD3  LYS  37           HD1      LYS  37  48.429   0.832  -5.573
  293    HE2  LYS  37           HE2      LYS  37  46.900  -1.421  -4.070
  294    HE3  LYS  37           HE1      LYS  37  46.119  -0.280  -5.236
  295    HZ1  LYS  37           HZ1      LYS  37  48.345  -2.139  -5.866
  296    HZ2  LYS  37           HZ2      LYS  37  47.600  -1.058  -6.942
  297    HZ3  LYS  37           HZ3      LYS  37  46.706  -2.337  -6.271
  298    H    LEU  38           HN       LEU  38  53.453  -0.475  -5.060
  299    HA   LEU  38           HA       LEU  38  53.450   2.294  -4.244
  300    HB2  LEU  38           HB2      LEU  38  54.755   0.430  -2.974
  301    HB3  LEU  38           HB1      LEU  38  55.804   0.296  -4.347
  302    HG   LEU  38           HG       LEU  38  55.487   3.091  -3.279
  303   HD11  LEU  38          HD11      LEU  38  56.913   0.985  -1.543
  304   HD12  LEU  38          HD12      LEU  38  55.383   1.838  -1.134
  305   HD13  LEU  38          HD13      LEU  38  56.918   2.767  -1.291
  306   HD21  LEU  38          HD21      LEU  38  57.958   1.370  -3.935
  307   HD22  LEU  38          HD22      LEU  38  57.963   3.139  -3.554
  308   HD23  LEU  38          HD23      LEU  38  57.147   2.537  -5.047
  309    H    LEU  39           HN       LEU  39  54.397   0.494  -7.131
  310    HA   LEU  39           HA       LEU  39  56.130   2.471  -8.133
  311    HB2  LEU  39           HB2      LEU  39  54.504   0.363  -9.647
  312    HB3  LEU  39           HB1      LEU  39  55.854   1.334 -10.321
  313    HG   LEU  39           HG       LEU  39  56.022  -0.723  -8.037
  314   HD11  LEU  39          HD11      LEU  39  55.664  -1.695 -10.305
  315   HD12  LEU  39          HD12      LEU  39  57.305  -2.089  -9.660
  316   HD13  LEU  39          HD13      LEU  39  57.109  -0.806 -10.917
  317   HD21  LEU  39          HD21      LEU  39  57.719   1.026  -7.600
  318   HD22  LEU  39          HD22      LEU  39  58.281   0.953  -9.315
  319   HD23  LEU  39          HD23      LEU  39  58.523  -0.456  -8.218
  320    H    GLU  40           HN       GLU  40  52.634   1.762  -8.718
  321    HA   GLU  40           HA       GLU  40  52.335   3.800 -10.637
  322    HB2  GLU  40           HB2      GLU  40  49.880   3.417 -10.344
  323    HB3  GLU  40           HB1      GLU  40  50.805   1.905 -10.675
  324    HG2  GLU  40           HG2      GLU  40  50.752   1.402  -8.191
  325    HG3  GLU  40           HG1      GLU  40  49.774   2.859  -7.920
  326    H    TYR  41           HN       TYR  41  51.902   3.725  -7.086
  327    HA   TYR  41           HA       TYR  41  50.466   6.208  -7.007
  328    HB2  TYR  41           HB2      TYR  41  51.589   4.167  -5.015
  329    HB3  TYR  41           HB1      TYR  41  51.248   5.775  -4.400
  330    HD1  TYR  41           HD1      TYR  41  48.937   4.612  -7.131
  331    HD2  TYR  41           HD2      TYR  41  49.635   4.872  -2.878
  332    HE1  TYR  41           HE1      TYR  41  46.597   4.138  -6.723
  333    HE2  TYR  41           HE2      TYR  41  47.263   4.347  -2.483
  334    HH   TYR  41           HH       TYR  41  45.245   3.937  -3.412
  335    H    GLU  42           HN       GLU  42  53.778   5.260  -7.185
  336    HA   GLU  42           HA       GLU  42  54.812   7.723  -6.084
  337    HB2  GLU  42           HB2      GLU  42  56.077   5.572  -5.978
  338    HB3  GLU  42           HB1      GLU  42  56.221   5.584  -7.770
  339    HG2  GLU  42           HG2      GLU  42  57.520   7.774  -7.590
  340    HG3  GLU  42           HG1      GLU  42  57.376   7.680  -5.794
  341    H    LEU  43           HN       LEU  43  54.115   6.301  -9.283
  342    HA   LEU  43           HA       LEU  43  55.108   8.478 -10.805
  343    HB2  LEU  43           HB2      LEU  43  53.223   6.127 -11.387
  344    HB3  LEU  43           HB1      LEU  43  53.705   7.287 -12.662
  345    HG   LEU  43           HG       LEU  43  55.710   5.624 -11.033
  346   HD11  LEU  43          HD11      LEU  43  54.541   5.020 -13.821
  347   HD12  LEU  43          HD12      LEU  43  54.200   4.112 -12.299
  348   HD13  LEU  43          HD13      LEU  43  55.863   4.109 -12.995
  349   HD21  LEU  43          HD21      LEU  43  57.298   6.166 -12.880
  350   HD22  LEU  43          HD22      LEU  43  56.727   7.653 -12.043
  351   HD23  LEU  43          HD23      LEU  43  56.049   7.211 -13.656
  352    H    LEU  44           HN       LEU  44  52.157   7.837  -9.056
  353    HA   LEU  44           HA       LEU  44  50.471   9.562 -10.559
  354    HB2  LEU  44           HB2      LEU  44  49.557   7.606  -9.488
  355    HB3  LEU  44           HB1      LEU  44  50.228   8.113  -7.913
  356    HG   LEU  44           HG       LEU  44  48.633   9.890  -7.686
  357   HD11  LEU  44          HD11      LEU  44  48.432  10.719 -10.036
  358   HD12  LEU  44          HD12      LEU  44  46.807  10.334  -9.370
  359   HD13  LEU  44          HD13      LEU  44  47.600   9.194 -10.520
  360   HD21  LEU  44          HD21      LEU  44  46.512   8.590  -7.594
  361   HD22  LEU  44          HD22      LEU  44  47.918   7.612  -7.024
  362   HD23  LEU  44          HD23      LEU  44  47.228   7.328  -8.665
  363    H    GLY  45           HN       GLY  45  51.315   9.716  -7.018
  364    HA2  GLY  45           HA2      GLY  45  52.859  11.641  -6.614
  365    HA3  GLY  45           HA1      GLY  45  51.497  12.632  -7.279
  366    H    LYS  46           HN       LYS  46  50.981   9.665  -5.421
  367    HA   LYS  46           HA       LYS  46  49.620  11.151  -3.332
  368    HB2  LYS  46           HB2      LYS  46  49.966   8.190  -3.917
  369    HB3  LYS  46           HB1      LYS  46  49.216   8.815  -2.402
  370    HG2  LYS  46           HG2      LYS  46  47.570  10.120  -3.753
  371    HG3  LYS  46           HG1      LYS  46  48.212   9.379  -5.260
  372    HD2  LYS  46           HD2      LYS  46  47.497   7.148  -4.528
  373    HD3  LYS  46           HD1      LYS  46  47.092   7.767  -2.884
  374    HE2  LYS  46           HE2      LYS  46  45.306   9.226  -3.835
  375    HE3  LYS  46           HE1      LYS  46  45.667   8.606  -5.496
  376    HZ1  LYS  46           HZ1      LYS  46  43.811   7.472  -4.508
  377    HZ2  LYS  46           HZ2      LYS  46  44.745   6.984  -3.177
  378    HZ3  LYS  46           HZ3      LYS  46  45.102   6.391  -4.727
  379    H    ILE  47           HN       ILE  47  52.346   8.933  -3.895
  380    HA   ILE  47           HA       ILE  47  53.694   9.757  -1.412
  381    HB   ILE  47           HB       ILE  47  54.928   7.593  -1.692
  382   HG12  ILE  47          HG12      ILE  47  52.561   7.003  -3.592
  383   HG13  ILE  47          HG11      ILE  47  54.255   7.274  -4.119
  384   HG21  ILE  47          HG21      ILE  47  53.109   7.981   0.013
  385   HG22  ILE  47          HG22      ILE  47  53.216   6.279  -0.572
  386   HG23  ILE  47          HG23      ILE  47  51.895   7.348  -1.174
  387   HD11  ILE  47           HD1      ILE  47  54.988   5.369  -2.804
  388   HD12  ILE  47           HD2      ILE  47  53.793   4.865  -4.053
  389   HD13  ILE  47           HD3      ILE  47  53.309   4.964  -2.316
  390    H    LYS  48           HN       LYS  48  56.123   9.684  -1.745
  391    HA   LYS  48           HA       LYS  48  56.974   9.731  -4.511
  392    HB2  LYS  48           HB2      LYS  48  57.883  11.861  -2.453
  393    HB3  LYS  48           HB1      LYS  48  58.445  11.752  -4.153
  394    HG2  LYS  48           HG2      LYS  48  56.167  12.358  -4.958
  395    HG3  LYS  48           HG1      LYS  48  55.579  12.469  -3.265
  396    HD2  LYS  48           HD2      LYS  48  57.780  14.206  -4.544
  397    HD3  LYS  48           HD1      LYS  48  56.080  14.702  -4.238
  398    HE2  LYS  48           HE2      LYS  48  58.202  14.020  -2.084
  399    HE3  LYS  48           HE1      LYS  48  57.571  15.658  -2.508
  400    HZ1  LYS  48           HZ1      LYS  48  55.979  13.404  -1.403
  401    HZ2  LYS  48           HZ2      LYS  48  55.391  14.949  -1.796
  402    HZ3  LYS  48           HZ3      LYS  48  56.534  14.766  -0.552
  403    H    ARG  49           HN       ARG  49  59.400   9.512  -4.598
  404    HA   ARG  49           HA       ARG  49  60.704   8.839  -2.117
  405    HB2  ARG  49           HB2      ARG  49  59.774   6.635  -2.783
  406    HB3  ARG  49           HB1      ARG  49  60.537   6.773  -4.392
  407    HG2  ARG  49           HG2      ARG  49  62.278   7.056  -1.899
  408    HG3  ARG  49           HG1      ARG  49  61.606   5.446  -2.248
  409    HD2  ARG  49           HD2      ARG  49  63.410   7.066  -4.191
  410    HD3  ARG  49           HD1      ARG  49  63.933   5.711  -3.129
  411    HE   ARG  49           HE       ARG  49  62.512   4.170  -4.374
  412   HH11  ARG  49          HH11      ARG  49  61.925   3.424  -6.478
  413   HH12  ARG  49          HH12      ARG  49  61.888   4.519  -7.819
  414   HH21  ARG  49          HH21      ARG  49  62.880   7.372  -5.951
  415   HH22  ARG  49          HH22      ARG  49  62.438   6.781  -7.517
  416    H    ILE  50           HN       ILE  50  62.945   9.422  -2.353
  417    HA   ILE  50           HA       ILE  50  63.927   9.917  -4.997
  418    HB   ILE  50           HB       ILE  50  62.678  11.961  -4.735
  419   HG12  ILE  50          HG12      ILE  50  64.460  13.679  -4.877
  420   HG13  ILE  50          HG11      ILE  50  65.682  12.500  -4.310
  421   HG21  ILE  50          HG21      ILE  50  64.173  12.450  -2.084
  422   HG22  ILE  50          HG22      ILE  50  62.442  11.957  -2.247
  423   HG23  ILE  50          HG23      ILE  50  62.996  13.541  -2.891
  424   HD11  ILE  50           HD1      ILE  50  65.289  11.098  -6.362
  425   HD12  ILE  50           HD2      ILE  50  65.693  12.792  -6.813
  426   HD13  ILE  50           HD3      ILE  50  63.982  12.227  -6.887
  427    H    ASN  51           HN       ASN  51  64.347  10.193  -1.436
  428    HA   ASN  51           HA       ASN  51  67.176  10.375  -1.670
  429    HB2  ASN  51           HB2      ASN  51  65.892  11.475   0.188
  430    HB3  ASN  51           HB1      ASN  51  65.371   9.874   0.792
  431   HD21  ASN  51          HD21      ASN  51  69.378  11.094   1.202
  432   HD22  ASN  51          HD22      ASN  51  68.412  11.696  -0.103
  433    H    HIS  52           HN       HIS  52  65.213   7.995   0.194
  434    HA   HIS  52           HA       HIS  52  66.471   5.772  -1.170
  435    HB2  HIS  52           HB2      HIS  52  68.052   6.169   0.755
  436    HB3  HIS  52           HB1      HIS  52  66.658   6.264   1.879
  437    HD1  HIS  52           HD1      HIS  52  67.956   4.280   3.126
  438    HD2  HIS  52           HD2      HIS  52  66.356   3.244  -0.615
  439    HE1  HIS  52           HE1      HIS  52  67.883   1.749   3.009
  440    HE2  HIS  52           HE2      HIS  52  66.911   1.169   0.743
  441    H    ILE  53           HN       ILE  53  64.327   7.161   1.377
  442    HA   ILE  53           HA       ILE  53  62.614   4.792   1.169
  443    HB   ILE  53           HB       ILE  53  61.799   5.352   3.372
  444   HG12  ILE  53          HG12      ILE  53  64.134   7.361   3.563
  445   HG13  ILE  53          HG11      ILE  53  62.421   7.837   3.289
  446   HG21  ILE  53          HG21      ILE  53  63.571   3.648   2.927
  447   HG22  ILE  53          HG22      ILE  53  63.785   4.421   4.535
  448   HG23  ILE  53          HG23      ILE  53  64.848   4.899   3.167
  449   HD11  ILE  53           HD1      ILE  53  61.766   6.569   5.368
  450   HD12  ILE  53           HD2      ILE  53  62.823   8.008   5.679
  451   HD13  ILE  53           HD3      ILE  53  63.515   6.342   5.752
  452    H    VAL  54           HN       VAL  54  60.292   5.345   1.726
  453    HA   VAL  54           HA       VAL  54  59.517   7.256  -0.215
  454    HB   VAL  54           HB       VAL  54  58.501   4.974   0.064
  455   HG11  VAL  54          HG11      VAL  54  58.404   4.968   2.595
  456   HG12  VAL  54          HG12      VAL  54  56.834   4.551   1.820
  457   HG13  VAL  54          HG13      VAL  54  57.072   6.185   2.529
  458   HG21  VAL  54          HG21      VAL  54  56.530   7.329   0.147
  459   HG22  VAL  54          HG22      VAL  54  56.176   5.654  -0.406
  460   HG23  VAL  54          HG23      VAL  54  57.379   6.645  -1.298
  461    H    VAL  55           HN       VAL  55  58.168   9.119   0.220
  462    HA   VAL  55           HA       VAL  55  57.747   9.816   3.029
  463    HB   VAL  55           HB       VAL  55  57.956  12.230   2.420
  464   HG11  VAL  55          HG11      VAL  55  60.531  10.555   2.053
  465   HG12  VAL  55          HG12      VAL  55  59.762  10.983   3.628
  466   HG13  VAL  55          HG13      VAL  55  60.435  12.278   2.569
  467   HG21  VAL  55          HG21      VAL  55  59.250  11.149  -0.188
  468   HG22  VAL  55          HG22      VAL  55  59.240  12.861   0.360
  469   HG23  VAL  55          HG23      VAL  55  57.696  12.059  -0.074
  470    H    LEU  56           HN       LEU  56  55.645  10.743   3.332
  471    HA   LEU  56           HA       LEU  56  53.838  10.220   1.129
  472    HB2  LEU  56           HB2      LEU  56  53.147  11.374   3.886
  473    HB3  LEU  56           HB1      LEU  56  52.041  10.667   2.660
  474    HG   LEU  56           HG       LEU  56  53.738   8.535   3.054
  475   HD11  LEU  56          HD11      LEU  56  54.241   8.275   5.468
  476   HD12  LEU  56          HD12      LEU  56  53.559   9.906   5.823
  477   HD13  LEU  56          HD13      LEU  56  55.062   9.746   4.845
  478   HD21  LEU  56          HD21      LEU  56  51.283   9.191   4.790
  479   HD22  LEU  56          HD22      LEU  56  52.000   7.555   4.515
  480   HD23  LEU  56          HD23      LEU  56  51.268   8.458   3.137
  481    H    ALA  57           HN       ALA  57  52.475  11.944   0.265
  482    HA   ALA  57           HA       ALA  57  53.839  14.411  -0.031
  483    HB1  ALA  57           HB1      ALA  57  52.424  13.505  -1.863
  484    HB2  ALA  57           HB2      ALA  57  51.840  15.129  -1.354
  485    HB3  ALA  57           HB3      ALA  57  50.966  13.641  -0.819
  486    H    HIS  58           HN       HIS  58  50.773  13.432   1.628
  487    HA   HIS  58           HA       HIS  58  50.547  16.031   2.876
  488    HB2  HIS  58           HB2      HIS  58  48.868  13.478   3.240
  489    HB3  HIS  58           HB1      HIS  58  48.514  15.085   3.967
  490    HD1  HIS  58           HD1      HIS  58  48.740  13.445   0.519
  491    HD2  HIS  58           HD2      HIS  58  47.075  16.827   2.368
  492    HE1  HIS  58           HE1      HIS  58  47.259  14.587  -1.190
  493    HE2  HIS  58           HE2      HIS  58  46.279  16.620  -0.038
  494    H    HIS  59           HN       HIS  59  50.756  16.387   5.130
  495    HA   HIS  59           HA       HIS  59  51.947  14.212   6.704
  496    HB2  HIS  59           HB2      HIS  59  52.905  17.135   6.591
  497    HB3  HIS  59           HB1      HIS  59  53.499  15.881   7.743
  498    HD1  HIS  59           HD1      HIS  59  54.469  13.634   6.335
  499    HD2  HIS  59           HD2      HIS  59  54.481  17.329   4.345
  500    HE1  HIS  59           HE1      HIS  59  56.106  13.448   4.409
  501    HE2  HIS  59           HE2      HIS  59  56.080  15.693   3.236
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  22.941   4.487  10.484
    2    H2   MET   1           HT2      MET   1  21.891   3.156  10.379
    3    H3   MET   1           HT3      MET   1  21.376   4.688   9.854
    4    HA   MET   1           HA       MET   1  21.888   3.272   8.027
    5    HB2  MET   1           HB2      MET   1  22.247   5.761   7.909
    6    HB3  MET   1           HB1      MET   1  23.967   5.541   8.342
    7    HG2  MET   1           HG2      MET   1  22.619   4.263   5.876
    8    HG3  MET   1           HG1      MET   1  23.296   5.916   5.872
    9    HE1  MET   1           HE1      MET   1  24.593   5.348   3.752
   10    HE2  MET   1           HE2      MET   1  23.960   3.666   3.799
   11    HE3  MET   1           HE3      MET   1  25.717   3.958   3.562
   12    H    LEU   2           HN       LEU   2  25.081   4.169   9.534
   13    HA   LEU   2           HA       LEU   2  26.225   1.704   8.605
   14    HB2  LEU   2           HB2      LEU   2  27.521   3.880   8.636
   15    HB3  LEU   2           HB1      LEU   2  27.413   3.869  10.424
   16    HG   LEU   2           HG       LEU   2  28.648   1.642  10.419
   17   HD11  LEU   2          HD11      LEU   2  29.080   2.233   7.421
   18   HD12  LEU   2          HD12      LEU   2  28.174   0.837   8.119
   19   HD13  LEU   2          HD13      LEU   2  29.946   0.979   8.385
   20   HD21  LEU   2          HD21      LEU   2  29.812   3.783  10.877
   21   HD22  LEU   2          HD22      LEU   2  30.139   4.001   9.114
   22   HD23  LEU   2          HD23      LEU   2  30.886   2.622  10.010
   23    H    LYS   3           HN       LYS   3  26.674  -0.097   9.866
   24    HA   LYS   3           HA       LYS   3  25.960  -0.036  12.700
   25    HB2  LYS   3           HB2      LYS   3  23.912  -0.617  11.257
   26    HB3  LYS   3           HB1      LYS   3  24.753  -2.124  10.790
   27    HG2  LYS   3           HG2      LYS   3  24.277  -1.253  13.712
   28    HG3  LYS   3           HG1      LYS   3  23.026  -2.124  12.766
   29    HD2  LYS   3           HD2      LYS   3  24.404  -4.085  12.497
   30    HD3  LYS   3           HD1      LYS   3  25.835  -3.297  13.230
   31    HE2  LYS   3           HE2      LYS   3  23.186  -3.821  14.721
   32    HE3  LYS   3           HE1      LYS   3  24.674  -4.859  14.822
   33    HZ1  LYS   3           HZ1      LYS   3  25.868  -2.967  15.680
   34    HZ2  LYS   3           HZ2      LYS   3  24.518  -3.329  16.646
   35    HZ3  LYS   3           HZ3      LYS   3  24.477  -1.996  15.593
   36    H    ASP   4           HN       ASP   4  27.780  -0.752  13.617
   37    HA   ASP   4           HA       ASP   4  29.443  -2.671  12.169
   38    HB2  ASP   4           HB2      ASP   4  31.249  -2.103  13.748
   39    HB3  ASP   4           HB1      ASP   4  30.677  -0.661  12.851
   40    H    TYR   5           HN       TYR   5  30.338  -4.476  13.382
   41    HA   TYR   5           HA       TYR   5  28.431  -5.533  15.355
   42    HB2  TYR   5           HB2      TYR   5  30.208  -7.025  13.374
   43    HB3  TYR   5           HB1      TYR   5  29.034  -7.775  14.532
   44    HD1  TYR   5           HD1      TYR   5  26.576  -7.171  14.306
   45    HD2  TYR   5           HD2      TYR   5  29.462  -6.191  11.272
   46    HE1  TYR   5           HE1      TYR   5  24.750  -6.830  12.682
   47    HE2  TYR   5           HE2      TYR   5  27.640  -5.833   9.650
   48    HH   TYR   5           HH       TYR   5  25.417  -5.829   9.294
   49    H    HIS   6           HN       HIS   6  30.820  -7.599  15.284
   50    HA   HIS   6           HA       HIS   6  32.102  -6.651  17.651
   51    HB2  HIS   6           HB2      HIS   6  31.508  -9.083  17.066
   52    HB3  HIS   6           HB1      HIS   6  32.815  -9.063  15.861
   53    HD1  HIS   6           HD1      HIS   6  32.480  -8.311  19.621
   54    HD2  HIS   6           HD2      HIS   6  35.233  -9.929  16.896
   55    HE1  HIS   6           HE1      HIS   6  34.486  -9.099  20.954
   56    HE2  HIS   6           HE2      HIS   6  36.123 -10.060  19.275
   57    H    LEU   7           HN       LEU   7  32.706  -6.762  14.227
   58    HA   LEU   7           HA       LEU   7  35.443  -6.687  14.156
   59    HB2  LEU   7           HB2      LEU   7  35.380  -6.305  11.882
   60    HB3  LEU   7           HB1      LEU   7  33.816  -7.118  12.212
   61    HG   LEU   7           HG       LEU   7  34.247  -4.102  11.737
   62   HD11  LEU   7          HD11      LEU   7  33.000  -6.246   9.912
   63   HD12  LEU   7          HD12      LEU   7  34.626  -5.486   9.705
   64   HD13  LEU   7          HD13      LEU   7  33.134  -4.482   9.562
   65   HD21  LEU   7          HD21      LEU   7  32.275  -4.433  13.207
   66   HD22  LEU   7          HD22      LEU   7  31.615  -5.675  12.075
   67   HD23  LEU   7          HD23      LEU   7  31.754  -3.954  11.553
   68    H    LYS   8           HN       LYS   8  36.943  -4.959  13.423
   69    HA   LYS   8           HA       LYS   8  36.537  -2.715  15.192
   70    HB2  LYS   8           HB2      LYS   8  38.598  -4.128  15.287
   71    HB3  LYS   8           HB1      LYS   8  39.043  -3.588  13.646
   72    HG2  LYS   8           HG2      LYS   8  39.082  -1.184  14.548
   73    HG3  LYS   8           HG1      LYS   8  38.718  -1.842  16.181
   74    HD2  LYS   8           HD2      LYS   8  40.829  -3.188  16.102
   75    HD3  LYS   8           HD1      LYS   8  41.194  -2.536  14.468
   76    HE2  LYS   8           HE2      LYS   8  40.953  -0.852  17.062
   77    HE3  LYS   8           HE1      LYS   8  42.498  -1.354  16.262
   78    HZ1  LYS   8           HZ1      LYS   8  40.384   0.362  15.067
   79    HZ2  LYS   8           HZ2      LYS   8  41.830  -0.112  14.316
   80    HZ3  LYS   8           HZ3      LYS   8  41.876   0.878  15.694
   81    H    GLU   9           HN       GLU   9  38.574  -2.419  12.324
   82    HA   GLU   9           HA       GLU   9  36.897  -0.236  11.347
   83    HB2  GLU   9           HB2      GLU   9  39.054   0.678  10.433
   84    HB3  GLU   9           HB1      GLU   9  39.034   0.544  12.216
   85    HG2  GLU   9           HG2      GLU   9  40.392  -1.507  12.189
   86    HG3  GLU   9           HG1      GLU   9  40.338  -1.572  10.391
   87    H    MET  10           HN       MET  10  38.488  -0.159   8.877
   88    HA   MET  10           HA       MET  10  37.659  -2.657   7.563
   89    HB2  MET  10           HB2      MET  10  38.184   0.139   6.479
   90    HB3  MET  10           HB1      MET  10  38.006  -1.325   5.438
   91    HG2  MET  10           HG2      MET  10  35.733  -1.712   6.285
   92    HG3  MET  10           HG1      MET  10  35.899  -0.373   7.459
   93    HE1  MET  10           HE1      MET  10  33.152   0.923   5.055
   94    HE2  MET  10           HE2      MET  10  33.657   0.583   6.745
   95    HE3  MET  10           HE3      MET  10  33.465  -0.768   5.575
   96    HA   PRO  11           HA       PRO  11  42.241  -2.646   7.781
   97    HB2  PRO  11           HB2      PRO  11  42.694  -5.382   7.881
   98    HB3  PRO  11           HB1      PRO  11  42.058  -4.469   9.303
   99    HG2  PRO  11           HG1      PRO  11  40.441  -6.054   7.236
  100    HG3  PRO  11           HG2      PRO  11  40.356  -6.163   9.045
  101    HD2  PRO  11           HD1      PRO  11  38.622  -4.588   7.535
  102    HD3  PRO  11           HD2      PRO  11  39.174  -4.060   9.188
  103    H    GLU  12           HN       GLU  12  40.013  -3.409   5.377
  104    HA   GLU  12           HA       GLU  12  41.973  -4.499   3.498
  105    HB2  GLU  12           HB2      GLU  12  38.917  -4.240   3.328
  106    HB3  GLU  12           HB1      GLU  12  39.983  -5.000   2.084
  107    HG2  GLU  12           HG2      GLU  12  40.695  -6.732   3.759
  108    HG3  GLU  12           HG1      GLU  12  39.596  -6.003   4.988
  109    H    MET  13           HN       MET  13  42.742  -2.016   3.983
  110    HA   MET  13           HA       MET  13  41.490  -0.278   1.976
  111    HB2  MET  13           HB2      MET  13  43.565   0.330   4.152
  112    HB3  MET  13           HB1      MET  13  42.957   1.513   2.937
  113    HG2  MET  13           HG2      MET  13  40.633   1.202   3.806
  114    HG3  MET  13           HG1      MET  13  41.258   0.094   5.064
  115    HE1  MET  13           HE1      MET  13  40.027   1.540   6.894
  116    HE2  MET  13           HE2      MET  13  39.421   2.571   5.552
  117    HE3  MET  13           HE3      MET  13  40.152   3.326   7.010
  118    H    GLU  14           HN       GLU  14  43.160   0.994   0.650
  119    HA   GLU  14           HA       GLU  14  45.585  -0.456   0.063
  120    HB2  GLU  14           HB2      GLU  14  44.968  -0.989  -2.254
  121    HB3  GLU  14           HB1      GLU  14  43.774  -1.744  -1.146
  122    HG2  GLU  14           HG2      GLU  14  42.114   0.055  -1.614
  123    HG3  GLU  14           HG1      GLU  14  43.280   0.892  -2.698
  124    H    ASP  15           HN       ASP  15  43.405   2.208  -0.098
  125    HA   ASP  15           HA       ASP  15  45.193   3.754  -1.786
  126    HB2  ASP  15           HB2      ASP  15  43.630   5.520  -1.780
  127    HB3  ASP  15           HB1      ASP  15  42.764   4.003  -2.170
  128    H    GLU  16           HN       GLU  16  44.533   3.043   1.542
  129    HA   GLU  16           HA       GLU  16  45.838   5.149   2.827
  130    HB2  GLU  16           HB2      GLU  16  44.482   3.371   3.987
  131    HB3  GLU  16           HB1      GLU  16  45.701   2.148   3.502
  132    HG2  GLU  16           HG2      GLU  16  47.440   3.425   4.902
  133    HG3  GLU  16           HG1      GLU  16  46.122   4.539   5.421
  134    H    PHE  17           HN       PHE  17  46.940   2.067   1.336
  135    HA   PHE  17           HA       PHE  17  49.644   2.252   1.897
  136    HB2  PHE  17           HB2      PHE  17  48.558   0.160   1.099
  137    HB3  PHE  17           HB1      PHE  17  48.143   0.944  -0.449
  138    HD1  PHE  17           HD1      PHE  17  50.989  -0.260   1.634
  139    HD2  PHE  17           HD2      PHE  17  49.707   1.092  -2.227
  140    HE1  PHE  17           HE1      PHE  17  53.129  -1.037   0.658
  141    HE2  PHE  17           HE2      PHE  17  51.890   0.381  -3.189
  142    HZ   PHE  17           HZ       PHE  17  53.604  -0.612  -1.733
  143    H    LEU  18           HN       LEU  18  47.683   3.628  -0.798
  144    HA   LEU  18           HA       LEU  18  49.891   4.414  -2.335
  145    HB2  LEU  18           HB2      LEU  18  46.913   5.058  -2.306
  146    HB3  LEU  18           HB1      LEU  18  47.960   5.916  -3.446
  147    HG   LEU  18           HG       LEU  18  47.742   2.856  -3.242
  148   HD11  LEU  18          HD11      LEU  18  46.416   4.741  -5.291
  149   HD12  LEU  18          HD12      LEU  18  45.576   3.843  -3.972
  150   HD13  LEU  18          HD13      LEU  18  46.371   2.937  -5.311
  151   HD21  LEU  18          HD21      LEU  18  49.921   3.543  -4.233
  152   HD22  LEU  18          HD22      LEU  18  49.067   4.608  -5.412
  153   HD23  LEU  18          HD23      LEU  18  48.857   2.819  -5.479
  154    H    GLU  19           HN       GLU  19  48.412   5.947   0.471
  155    HA   GLU  19           HA       GLU  19  49.500   8.567  -0.271
  156    HB2  GLU  19           HB2      GLU  19  47.905   7.593   2.173
  157    HB3  GLU  19           HB1      GLU  19  48.453   9.290   1.902
  158    HG2  GLU  19           HG2      GLU  19  47.113   9.383  -0.213
  159    HG3  GLU  19           HG1      GLU  19  46.486   7.735   0.091
  160    H    TYR  20           HN       TYR  20  50.183   5.704   1.578
  161    HA   TYR  20           HA       TYR  20  52.017   6.873   3.450
  162    HB2  TYR  20           HB2      TYR  20  51.202   4.056   2.521
  163    HB3  TYR  20           HB1      TYR  20  52.588   4.216   3.556
  164    HD1  TYR  20           HD1      TYR  20  49.521   6.368   4.016
  165    HD2  TYR  20           HD2      TYR  20  52.004   3.198   5.489
  166    HE1  TYR  20           HE1      TYR  20  48.294   6.411   6.151
  167    HE2  TYR  20           HE2      TYR  20  50.778   3.220   7.632
  168    HH   TYR  20           HH       TYR  20  48.054   5.496   8.200
  169    H    CYS  21           HN       CYS  21  51.987   5.627   0.248
  170    HA   CYS  21           HA       CYS  21  54.647   4.768   0.210
  171    HB2  CYS  21           HB2      CYS  21  52.734   5.402  -2.100
  172    HB3  CYS  21           HB1      CYS  21  54.427   4.930  -2.423
  173    HG   CYS  21           HG1      CYS  21  54.451   2.733  -1.170
  174    H    ALA  22           HN       ALA  22  53.363   7.870   0.307
  175    HA   ALA  22           HA       ALA  22  55.154   9.356  -1.272
  176    HB1  ALA  22           HB1      ALA  22  53.505  10.148   1.207
  177    HB2  ALA  22           HB2      ALA  22  52.915  10.181  -0.493
  178    HB3  ALA  22           HB3      ALA  22  54.246  11.292   0.016
  179    H    LYS  23           HN       LYS  23  55.555   7.559   1.618
  180    HA   LYS  23           HA       LYS  23  58.051   8.888   2.314
  181    HB2  LYS  23           HB2      LYS  23  56.625   7.960   4.219
  182    HB3  LYS  23           HB1      LYS  23  56.774   6.339   3.480
  183    HG2  LYS  23           HG2      LYS  23  59.423   6.912   3.630
  184    HG3  LYS  23           HG1      LYS  23  58.877   8.049   4.900
  185    HD2  LYS  23           HD2      LYS  23  58.361   5.001   4.776
  186    HD3  LYS  23           HD1      LYS  23  59.630   5.814   5.757
  187    HE2  LYS  23           HE2      LYS  23  57.852   6.984   7.107
  188    HE3  LYS  23           HE1      LYS  23  56.570   6.139   6.145
  189    HZ1  LYS  23           HZ1      LYS  23  58.667   4.830   7.796
  190    HZ2  LYS  23           HZ2      LYS  23  57.463   4.043   6.896
  191    HZ3  LYS  23           HZ3      LYS  23  57.033   5.031   8.208
  192    H    ASN  24           HN       ASN  24  58.802   8.588   0.196
  193    HA   ASN  24           HA       ASN  24  59.093   6.097  -1.020
  194    HB2  ASN  24           HB2      ASN  24  60.720   8.653  -1.532
  195    HB3  ASN  24           HB1      ASN  24  60.723   7.191  -2.570
  196   HD21  ASN  24          HD21      ASN  24  57.334   7.671  -3.809
  197   HD22  ASN  24          HD22      ASN  24  58.464   6.441  -3.347
  198    HA   PRO  25           HA       PRO  25  63.511   5.913   0.757
  199    HB2  PRO  25           HB2      PRO  25  63.824   7.094   3.352
  200    HB3  PRO  25           HB1      PRO  25  64.459   7.771   1.793
  201    HG2  PRO  25           HG1      PRO  25  61.835   8.435   3.220
  202    HG3  PRO  25           HG2      PRO  25  63.020   9.577   2.455
  203    HD2  PRO  25           HD1      PRO  25  60.757   8.853   1.114
  204    HD3  PRO  25           HD2      PRO  25  62.338   8.867   0.214
  205    H    SER  26           HN       SER  26  63.768   3.928   1.630
  206    HA   SER  26           HA       SER  26  63.423   2.103   2.721
  207    HB2  SER  26           HB2      SER  26  62.635   3.992   4.992
  208    HB3  SER  26           HB1      SER  26  62.813   2.195   5.206
  209    HG   SER  26           HG1      SER  26  64.676   3.349   5.720
  210    H    TYR  27           HN       TYR  27  61.867   1.618   1.104
  211    HA   TYR  27           HA       TYR  27  59.099   2.059   1.564
  212    HB2  TYR  27           HB2      TYR  27  58.765   0.801  -0.507
  213    HB3  TYR  27           HB1      TYR  27  60.098   2.009  -0.702
  214    HD1  TYR  27           HD1      TYR  27  59.456  -1.681  -0.164
  215    HD2  TYR  27           HD2      TYR  27  62.076   1.378  -1.565
  216    HE1  TYR  27           HE1      TYR  27  60.991  -3.418  -0.997
  217    HE2  TYR  27           HE2      TYR  27  63.696  -0.348  -2.342
  218    HH   TYR  27           HH       TYR  27  62.968  -3.852  -2.003
  219    H    GLU  28           HN       GLU  28  61.344  -0.077   2.642
  220    HA   GLU  28           HA       GLU  28  60.224  -2.577   2.662
  221    HB2  GLU  28           HB2      GLU  28  61.999  -1.721   4.991
  222    HB3  GLU  28           HB1      GLU  28  62.060  -3.209   3.984
  223    HG2  GLU  28           HG2      GLU  28  62.945  -1.717   2.064
  224    HG3  GLU  28           HG1      GLU  28  62.924  -0.329   3.236
  225    H    GLU  29           HN       GLU  29  60.037   0.125   4.996
  226    HA   GLU  29           HA       GLU  29  58.612  -1.234   7.004
  227    HB2  GLU  29           HB2      GLU  29  58.812   1.742   6.261
  228    HB3  GLU  29           HB1      GLU  29  58.088   1.126   7.793
  229    HG2  GLU  29           HG2      GLU  29  60.251   0.195   8.521
  230    HG3  GLU  29           HG1      GLU  29  61.014   0.597   6.942
  231    H    ALA  30           HN       ALA  30  57.736   0.318   3.964
  232    HA   ALA  30           HA       ALA  30  54.908   0.479   4.679
  233    HB1  ALA  30           HB1      ALA  30  56.311   1.178   2.036
  234    HB2  ALA  30           HB2      ALA  30  55.906   2.340   3.348
  235    HB3  ALA  30           HB3      ALA  30  54.586   1.511   2.450
  236    H    TYR  31           HN       TYR  31  57.081  -1.832   3.291
  237    HA   TYR  31           HA       TYR  31  55.084  -3.190   1.674
  238    HB2  TYR  31           HB2      TYR  31  57.382  -3.289   0.796
  239    HB3  TYR  31           HB1      TYR  31  58.033  -3.495   2.401
  240    HD1  TYR  31           HD1      TYR  31  55.329  -5.524   0.765
  241    HD2  TYR  31           HD2      TYR  31  59.375  -5.400   2.158
  242    HE1  TYR  31           HE1      TYR  31  55.451  -7.977   0.562
  243    HE2  TYR  31           HE2      TYR  31  59.555  -7.844   1.873
  244    HH   TYR  31           HH       TYR  31  56.756  -9.809   0.757
  245    H    LEU  32           HN       LEU  32  57.115  -3.783   4.565
  246    HA   LEU  32           HA       LEU  32  56.036  -6.276   5.093
  247    HB2  LEU  32           HB2      LEU  32  57.655  -4.289   6.771
  248    HB3  LEU  32           HB1      LEU  32  57.361  -5.979   7.282
  249    HG   LEU  32           HG       LEU  32  58.690  -5.231   4.593
  250   HD11  LEU  32          HD11      LEU  32  60.112  -5.878   7.262
  251   HD12  LEU  32          HD12      LEU  32  60.042  -4.260   6.470
  252   HD13  LEU  32          HD13      LEU  32  60.900  -5.621   5.659
  253   HD21  LEU  32          HD21      LEU  32  57.802  -7.550   4.676
  254   HD22  LEU  32          HD22      LEU  32  58.704  -7.865   6.207
  255   HD23  LEU  32          HD23      LEU  32  59.601  -7.551   4.674
  256    H    LYS  33           HN       LYS  33  55.038  -3.091   6.157
  257    HA   LYS  33           HA       LYS  33  53.531  -3.883   8.417
  258    HB2  LYS  33           HB2      LYS  33  54.271  -1.510   8.031
  259    HB3  LYS  33           HB1      LYS  33  53.236  -1.423   6.591
  260    HG2  LYS  33           HG2      LYS  33  51.646  -2.264   8.942
  261    HG3  LYS  33           HG1      LYS  33  52.595  -0.792   9.328
  262    HD2  LYS  33           HD2      LYS  33  51.697   0.388   7.376
  263    HD3  LYS  33           HD1      LYS  33  50.875  -1.119   6.815
  264    HE2  LYS  33           HE2      LYS  33  49.301  -1.072   8.661
  265    HE3  LYS  33           HE1      LYS  33  50.154   0.329   9.450
  266    HZ1  LYS  33           HZ1      LYS  33  48.804   0.341   6.798
  267    HZ2  LYS  33           HZ2      LYS  33  49.588   1.657   7.531
  268    HZ3  LYS  33           HZ3      LYS  33  48.196   0.995   8.242
  269    H    PHE  34           HN       PHE  34  52.738  -3.234   4.961
  270    HA   PHE  34           HA       PHE  34  49.960  -3.867   5.303
  271    HB2  PHE  34           HB2      PHE  34  51.718  -3.138   2.870
  272    HB3  PHE  34           HB1      PHE  34  49.998  -3.594   2.701
  273    HD1  PHE  34           HD1      PHE  34  48.270  -1.982   3.116
  274    HD2  PHE  34           HD2      PHE  34  52.285  -1.197   4.407
  275    HE1  PHE  34           HE1      PHE  34  47.644   0.349   3.685
  276    HE2  PHE  34           HE2      PHE  34  51.670   1.087   5.005
  277    HZ   PHE  34           HZ       PHE  34  49.365   1.919   4.572
  278    H    GLY  35           HN       GLY  35  52.025  -5.084   2.666
  279    HA2  GLY  35           HA2      GLY  35  53.081  -7.252   3.566
  280    HA3  GLY  35           HA1      GLY  35  51.403  -7.847   3.202
  281    H    ASP  36           HN       ASP  36  51.225  -8.696   1.225
  282    HA   ASP  36           HA       ASP  36  53.161  -8.253  -0.747
  283    HB2  ASP  36           HB2      ASP  36  51.823  -9.754  -2.180
  284    HB3  ASP  36           HB1      ASP  36  52.074 -10.440  -0.544
  285    H    LYS  37           HN       LYS  37  50.841  -6.141   0.156
  286    HA   LYS  37           HA       LYS  37  49.594  -5.196  -2.093
  287    HB2  LYS  37           HB2      LYS  37  49.097  -4.617   0.307
  288    HB3  LYS  37           HB1      LYS  37  50.597  -3.666   0.340
  289    HG2  LYS  37           HG2      LYS  37  48.638  -2.211   0.051
  290    HG3  LYS  37           HG1      LYS  37  49.724  -2.121  -1.378
  291    HD2  LYS  37           HD2      LYS  37  47.388  -2.058  -2.053
  292    HD3  LYS  37           HD1      LYS  37  48.192  -3.530  -2.699
  293    HE2  LYS  37           HE2      LYS  37  47.085  -4.909  -0.877
  294    HE3  LYS  37           HE1      LYS  37  46.280  -3.408  -0.258
  295    HZ1  LYS  37           HZ1      LYS  37  45.205  -3.181  -2.396
  296    HZ2  LYS  37           HZ2      LYS  37  44.857  -4.686  -1.689
  297    HZ3  LYS  37           HZ3      LYS  37  45.967  -4.588  -2.970
  298    H    LEU  38           HN       LEU  38  52.867  -4.493  -0.762
  299    HA   LEU  38           HA       LEU  38  53.384  -2.444  -2.718
  300    HB2  LEU  38           HB2      LEU  38  54.459  -2.472  -0.351
  301    HB3  LEU  38           HB1      LEU  38  55.341  -3.890  -0.812
  302    HG   LEU  38           HG       LEU  38  55.603  -1.575  -2.718
  303   HD11  LEU  38          HD11      LEU  38  56.816  -1.325   0.098
  304   HD12  LEU  38          HD12      LEU  38  55.469  -0.329  -0.558
  305   HD13  LEU  38          HD13      LEU  38  57.100  -0.238  -1.312
  306   HD21  LEU  38          HD21      LEU  38  56.985  -3.629  -2.953
  307   HD22  LEU  38          HD22      LEU  38  57.666  -3.377  -1.301
  308   HD23  LEU  38          HD23      LEU  38  58.026  -2.192  -2.620
  309    H    LEU  39           HN       LEU  39  53.889  -5.960  -2.522
  310    HA   LEU  39           HA       LEU  39  55.818  -6.059  -4.556
  311    HB2  LEU  39           HB2      LEU  39  53.798  -8.200  -3.719
  312    HB3  LEU  39           HB1      LEU  39  55.247  -8.462  -4.742
  313    HG   LEU  39           HG       LEU  39  55.214  -7.547  -1.803
  314   HD11  LEU  39          HD11      LEU  39  56.057 -10.219  -3.080
  315   HD12  LEU  39          HD12      LEU  39  54.549  -9.919  -2.135
  316   HD13  LEU  39          HD13      LEU  39  56.159  -9.797  -1.327
  317   HD21  LEU  39          HD21      LEU  39  57.702  -7.915  -1.841
  318   HD22  LEU  39          HD22      LEU  39  57.200  -6.551  -2.897
  319   HD23  LEU  39          HD23      LEU  39  57.632  -8.145  -3.628
  320    H    GLU  40           HN       GLU  40  52.227  -6.453  -4.617
  321    HA   GLU  40           HA       GLU  40  52.120  -7.005  -7.376
  322    HB2  GLU  40           HB2      GLU  40  49.664  -6.485  -7.161
  323    HB3  GLU  40           HB1      GLU  40  50.246  -7.740  -6.007
  324    HG2  GLU  40           HG2      GLU  40  50.268  -6.083  -4.171
  325    HG3  GLU  40           HG1      GLU  40  49.853  -4.763  -5.282
  326    H    TYR  41           HN       TYR  41  51.992  -3.911  -5.527
  327    HA   TYR  41           HA       TYR  41  50.941  -2.446  -7.754
  328    HB2  TYR  41           HB2      TYR  41  51.911  -1.880  -4.904
  329    HB3  TYR  41           HB1      TYR  41  51.816  -0.512  -6.013
  330    HD1  TYR  41           HD1      TYR  41  49.207  -3.187  -6.532
  331    HD2  TYR  41           HD2      TYR  41  50.196   0.529  -4.572
  332    HE1  TYR  41           HE1      TYR  41  46.867  -2.854  -5.994
  333    HE2  TYR  41           HE2      TYR  41  47.823   0.828  -3.999
  334    HH   TYR  41           HH       TYR  41  45.327  -1.538  -5.016
  335    H    GLU  42           HN       GLU  42  54.067  -3.413  -6.574
  336    HA   GLU  42           HA       GLU  42  55.593  -1.471  -7.985
  337    HB2  GLU  42           HB2      GLU  42  56.452  -2.799  -6.027
  338    HB3  GLU  42           HB1      GLU  42  56.441  -4.274  -7.042
  339    HG2  GLU  42           HG2      GLU  42  58.153  -3.203  -8.568
  340    HG3  GLU  42           HG1      GLU  42  58.101  -1.706  -7.561
  341    H    LEU  43           HN       LEU  43  54.509  -4.811  -8.603
  342    HA   LEU  43           HA       LEU  43  55.742  -5.099 -11.129
  343    HB2  LEU  43           HB2      LEU  43  53.521  -6.560  -9.598
  344    HB3  LEU  43           HB1      LEU  43  54.073  -7.137 -11.194
  345    HG   LEU  43           HG       LEU  43  55.915  -6.804  -8.755
  346   HD11  LEU  43          HD11      LEU  43  54.558  -9.364  -9.810
  347   HD12  LEU  43          HD12      LEU  43  54.151  -8.491  -8.284
  348   HD13  LEU  43          HD13      LEU  43  55.768  -9.267  -8.474
  349   HD21  LEU  43          HD21      LEU  43  57.482  -8.283 -10.020
  350   HD22  LEU  43          HD22      LEU  43  57.168  -6.746 -10.899
  351   HD23  LEU  43          HD23      LEU  43  56.363  -8.269 -11.433
  352    H    LEU  44           HN       LEU  44  52.767  -3.618 -10.015
  353    HA   LEU  44           HA       LEU  44  51.335  -3.913 -12.459
  354    HB2  LEU  44           HB2      LEU  44  50.138  -3.969 -10.377
  355    HB3  LEU  44           HB1      LEU  44  50.863  -2.416  -9.874
  356    HG   LEU  44           HG       LEU  44  49.539  -1.176 -11.463
  357   HD11  LEU  44          HD11      LEU  44  48.414  -3.884 -12.454
  358   HD12  LEU  44          HD12      LEU  44  49.454  -2.754 -13.401
  359   HD13  LEU  44          HD13      LEU  44  47.791  -2.258 -12.925
  360   HD21  LEU  44          HD21      LEU  44  48.526  -1.723  -9.270
  361   HD22  LEU  44          HD22      LEU  44  47.790  -3.217  -9.960
  362   HD23  LEU  44          HD23      LEU  44  47.265  -1.597 -10.556
  363    H    GLY  45           HN       GLY  45  52.040  -0.831 -10.652
  364    HA2  GLY  45           HA2      GLY  45  53.882   0.368 -11.953
  365    HA3  GLY  45           HA1      GLY  45  52.576   0.460 -13.208
  366    H    LYS  46           HN       LYS  46  51.846   0.466  -9.752
  367    HA   LYS  46           HA       LYS  46  50.746   3.143  -9.949
  368    HB2  LYS  46           HB2      LYS  46  50.706   1.026  -7.774
  369    HB3  LYS  46           HB1      LYS  46  50.076   2.699  -7.545
  370    HG2  LYS  46           HG2      LYS  46  48.589   2.410  -9.534
  371    HG3  LYS  46           HG1      LYS  46  49.100   0.692  -9.672
  372    HD2  LYS  46           HD2      LYS  46  48.109   0.169  -7.492
  373    HD3  LYS  46           HD1      LYS  46  47.801   1.915  -7.160
  374    HE2  LYS  46           HE2      LYS  46  46.217   2.030  -9.089
  375    HE3  LYS  46           HE1      LYS  46  46.482   0.271  -9.422
  376    HZ1  LYS  46           HZ1      LYS  46  44.500   0.647  -8.140
  377    HZ2  LYS  46           HZ2      LYS  46  45.374   1.437  -6.918
  378    HZ3  LYS  46           HZ3      LYS  46  45.637  -0.213  -7.217
  379    H    ILE  47           HN       ILE  47  53.150   1.232  -8.119
  380    HA   ILE  47           HA       ILE  47  54.810   3.630  -7.681
  381    HB   ILE  47           HB       ILE  47  55.978   2.228  -5.998
  382   HG12  ILE  47          HG12      ILE  47  53.515   0.496  -5.753
  383   HG13  ILE  47          HG11      ILE  47  54.562   0.101  -7.131
  384   HG21  ILE  47          HG21      ILE  47  52.992   2.805  -5.433
  385   HG22  ILE  47          HG22      ILE  47  54.331   4.020  -5.388
  386   HG23  ILE  47          HG23      ILE  47  54.315   2.644  -4.223
  387   HD11  ILE  47           HD1      ILE  47  55.439   0.298  -4.267
  388   HD12  ILE  47           HD2      ILE  47  56.539  -0.135  -5.625
  389   HD13  ILE  47           HD3      ILE  47  55.178  -1.234  -5.145
  390    H    LYS  48           HN       LYS  48  57.212   2.977  -7.964
  391    HA   LYS  48           HA       LYS  48  57.537   0.304  -9.008
  392    HB2  LYS  48           HB2      LYS  48  59.059   2.764 -10.169
  393    HB3  LYS  48           HB1      LYS  48  59.300   1.093 -10.706
  394    HG2  LYS  48           HG2      LYS  48  58.024   1.660 -12.427
  395    HG3  LYS  48           HG1      LYS  48  56.667   1.281 -11.331
  396    HD2  LYS  48           HD2      LYS  48  56.154   3.417 -12.316
  397    HD3  LYS  48           HD1      LYS  48  56.759   3.798 -10.658
  398    HE2  LYS  48           HE2      LYS  48  59.075   4.219 -11.683
  399    HE3  LYS  48           HE1      LYS  48  58.345   3.986 -13.317
  400    HZ1  LYS  48           HZ1      LYS  48  56.858   5.824 -12.855
  401    HZ2  LYS  48           HZ2      LYS  48  58.483   6.297 -12.712
  402    HZ3  LYS  48           HZ3      LYS  48  57.547   6.043 -11.318
  403    H    ARG  49           HN       ARG  49  60.057  -0.148  -9.023
  404    HA   ARG  49           HA       ARG  49  61.557   1.404  -7.099
  405    HB2  ARG  49           HB2      ARG  49  60.445  -0.420  -5.729
  406    HB3  ARG  49           HB1      ARG  49  61.202  -1.649  -6.774
  407    HG2  ARG  49           HG2      ARG  49  62.895   0.448  -5.271
  408    HG3  ARG  49           HG1      ARG  49  62.215  -0.998  -4.446
  409    HD2  ARG  49           HD2      ARG  49  63.429  -2.525  -6.006
  410    HD3  ARG  49           HD1      ARG  49  64.165  -1.092  -6.838
  411    HE   ARG  49           HE       ARG  49  64.554  -1.153  -3.905
  412   HH11  ARG  49          HH11      ARG  49  66.706  -1.568  -3.122
  413   HH12  ARG  49          HH12      ARG  49  67.939  -2.129  -4.201
  414   HH21  ARG  49          HH21      ARG  49  65.857  -2.170  -7.082
  415   HH22  ARG  49          HH22      ARG  49  67.451  -2.470  -6.478
  416    H    ILE  50           HN       ILE  50  63.707   1.454  -7.989
  417    HA   ILE  50           HA       ILE  50  64.495  -0.721  -9.700
  418    HB   ILE  50           HB       ILE  50  63.325   0.569 -11.326
  419   HG12  ILE  50          HG12      ILE  50  66.343   0.988 -11.743
  420   HG13  ILE  50          HG11      ILE  50  65.530  -0.614 -11.810
  421   HG21  ILE  50          HG21      ILE  50  65.119   2.977 -10.612
  422   HG22  ILE  50          HG22      ILE  50  63.376   2.804 -10.176
  423   HG23  ILE  50          HG23      ILE  50  63.868   2.894 -11.899
  424   HD11  ILE  50           HD1      ILE  50  64.026   0.204 -13.629
  425   HD12  ILE  50           HD2      ILE  50  65.768   0.298 -14.094
  426   HD13  ILE  50           HD3      ILE  50  64.880   1.797 -13.630
  427    H    ASN  51           HN       ASN  51  65.209   2.478  -8.222
  428    HA   ASN  51           HA       ASN  51  67.998   2.157  -8.660
  429    HB2  ASN  51           HB2      ASN  51  66.845   4.373  -8.766
  430    HB3  ASN  51           HB1      ASN  51  66.429   4.255  -7.029
  431   HD21  ASN  51          HD21      ASN  51  69.369   6.180  -6.439
  432   HD22  ASN  51          HD22      ASN  51  67.642   6.069  -6.351
  433    H    HIS  52           HN       HIS  52  66.583   3.117  -5.512
  434    HA   HIS  52           HA       HIS  52  67.863   0.815  -4.216
  435    HB2  HIS  52           HB2      HIS  52  68.020   3.764  -3.321
  436    HB3  HIS  52           HB1      HIS  52  68.618   2.351  -2.378
  437    HD1  HIS  52           HD1      HIS  52  70.409   0.833  -4.038
  438    HD2  HIS  52           HD2      HIS  52  70.082   4.971  -4.667
  439    HE1  HIS  52           HE1      HIS  52  72.493   1.575  -5.272
  440    HE2  HIS  52           HE2      HIS  52  72.253   4.071  -5.638
  441    H    ILE  53           HN       ILE  53  65.416   3.352  -4.497
  442    HA   ILE  53           HA       ILE  53  63.803   2.053  -2.448
  443    HB   ILE  53           HB       ILE  53  62.927   4.296  -1.799
  444   HG12  ILE  53          HG12      ILE  53  65.545   5.373  -3.022
  445   HG13  ILE  53          HG11      ILE  53  63.941   5.495  -3.831
  446   HG21  ILE  53          HG21      ILE  53  65.820   3.495  -1.116
  447   HG22  ILE  53          HG22      ILE  53  64.284   2.893  -0.366
  448   HG23  ILE  53          HG23      ILE  53  64.789   4.606  -0.154
  449   HD11  ILE  53           HD1      ILE  53  63.014   6.600  -1.776
  450   HD12  ILE  53           HD2      ILE  53  64.273   7.578  -2.638
  451   HD13  ILE  53           HD3      ILE  53  64.688   6.715  -1.107
  452    H    VAL  54           HN       VAL  54  61.478   3.094  -2.676
  453    HA   VAL  54           HA       VAL  54  60.713   2.592  -5.375
  454    HB   VAL  54           HB       VAL  54  58.376   3.012  -4.578
  455   HG11  VAL  54          HG11      VAL  54  60.098   0.940  -3.146
  456   HG12  VAL  54          HG12      VAL  54  59.127   0.770  -4.644
  457   HG13  VAL  54          HG13      VAL  54  58.296   0.990  -3.069
  458   HG21  VAL  54          HG21      VAL  54  58.729   4.695  -2.859
  459   HG22  VAL  54          HG22      VAL  54  59.778   3.601  -1.899
  460   HG23  VAL  54          HG23      VAL  54  58.022   3.238  -2.085
  461    H    VAL  55           HN       VAL  55  59.240   4.049  -6.525
  462    HA   VAL  55           HA       VAL  55  59.425   6.866  -5.785
  463    HB   VAL  55           HB       VAL  55  59.342   7.454  -8.219
  464   HG11  VAL  55          HG11      VAL  55  61.866   5.901  -7.333
  465   HG12  VAL  55          HG12      VAL  55  61.452   7.597  -6.878
  466   HG13  VAL  55          HG13      VAL  55  61.777   7.177  -8.601
  467   HG21  VAL  55          HG21      VAL  55  58.522   5.243  -9.112
  468   HG22  VAL  55          HG22      VAL  55  60.082   4.467  -8.641
  469   HG23  VAL  55          HG23      VAL  55  60.054   5.748  -9.902
  470    H    LEU  56           HN       LEU  56  57.457   7.987  -6.620
  471    HA   LEU  56           HA       LEU  56  55.136   6.207  -6.804
  472    HB2  LEU  56           HB2      LEU  56  55.438   9.267  -6.766
  473    HB3  LEU  56           HB1      LEU  56  53.861   8.426  -6.916
  474    HG   LEU  56           HG       LEU  56  55.698   7.945  -4.504
  475   HD11  LEU  56          HD11      LEU  56  53.640  10.219  -4.795
  476   HD12  LEU  56          HD12      LEU  56  55.429  10.396  -4.667
  477   HD13  LEU  56          HD13      LEU  56  54.484   9.741  -3.280
  478   HD21  LEU  56          HD21      LEU  56  53.818   6.354  -4.743
  479   HD22  LEU  56          HD22      LEU  56  52.646   7.722  -4.873
  480   HD23  LEU  56          HD23      LEU  56  53.546   7.455  -3.336
  481    H    ALA  57           HN       ALA  57  53.869   6.286  -8.787
  482    HA   ALA  57           HA       ALA  57  55.303   6.593 -11.166
  483    HB1  ALA  57           HB1      ALA  57  52.260   6.500 -10.729
  484    HB2  ALA  57           HB2      ALA  57  53.342   5.107 -11.079
  485    HB3  ALA  57           HB3      ALA  57  53.083   6.368 -12.333
  486    H    HIS  58           HN       HIS  58  52.419   8.566 -10.117
  487    HA   HIS  58           HA       HIS  58  53.924  10.954 -10.409
  488    HB2  HIS  58           HB2      HIS  58  53.266  10.634 -12.827
  489    HB3  HIS  58           HB1      HIS  58  51.548  10.512 -12.342
  490    HD1  HIS  58           HD1      HIS  58  50.506  12.817 -11.378
  491    HD2  HIS  58           HD2      HIS  58  54.311  13.197 -13.109
  492    HE1  HIS  58           HE1      HIS  58  50.898  15.285 -11.803
  493    HE2  HIS  58           HE2      HIS  58  53.202  15.469 -12.842
  494    H    HIS  59           HN       HIS  59  53.321  11.910  -8.583
  495    HA   HIS  59           HA       HIS  59  52.228  12.580  -6.869
  496    HB2  HIS  59           HB2      HIS  59  51.152  13.925  -8.722
  497    HB3  HIS  59           HB1      HIS  59  49.737  12.834  -8.626
  498    HD1  HIS  59           HD1      HIS  59  48.596  12.875  -6.064
  499    HD2  HIS  59           HD2      HIS  59  51.187  16.038  -7.007
  500    HE1  HIS  59           HE1      HIS  59  48.141  14.741  -4.409
  501    HE2  HIS  59           HE2      HIS  59  49.728  16.624  -5.008
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  28.303 -25.881  -4.615
    2    H2   MET   1           HT2      MET   1  26.999 -25.872  -3.527
    3    H3   MET   1           HT3      MET   1  28.478 -26.577  -3.074
    4    HA   MET   1           HA       MET   1  28.185 -24.471  -2.042
    5    HB2  MET   1           HB2      MET   1  30.353 -23.424  -2.703
    6    HB3  MET   1           HB1      MET   1  30.478 -25.200  -2.547
    7    HG2  MET   1           HG2      MET   1  30.352 -25.466  -5.020
    8    HG3  MET   1           HG1      MET   1  30.146 -23.700  -5.216
    9    HE1  MET   1           HE1      MET   1  32.165 -25.237  -6.864
   10    HE2  MET   1           HE2      MET   1  33.613 -24.177  -6.768
   11    HE3  MET   1           HE3      MET   1  31.977 -23.449  -6.894
   12    H    LEU   2           HN       LEU   2  28.998 -21.986  -2.800
   13    HA   LEU   2           HA       LEU   2  26.826 -21.099  -4.536
   14    HB2  LEU   2           HB2      LEU   2  27.208 -20.318  -2.032
   15    HB3  LEU   2           HB1      LEU   2  28.532 -19.330  -2.694
   16    HG   LEU   2           HG       LEU   2  26.751 -18.287  -4.284
   17   HD11  LEU   2          HD11      LEU   2  25.023 -20.073  -4.170
   18   HD12  LEU   2          HD12      LEU   2  24.348 -18.511  -3.581
   19   HD13  LEU   2          HD13      LEU   2  24.824 -19.795  -2.402
   20   HD21  LEU   2          HD21      LEU   2  26.332 -17.935  -1.249
   21   HD22  LEU   2          HD22      LEU   2  25.837 -16.773  -2.538
   22   HD23  LEU   2          HD23      LEU   2  27.585 -17.115  -2.256
   23    H    LYS   3           HN       LYS   3  28.623 -18.479  -4.664
   24    HA   LYS   3           HA       LYS   3  30.389 -19.444  -6.799
   25    HB2  LYS   3           HB2      LYS   3  28.880 -17.599  -7.484
   26    HB3  LYS   3           HB1      LYS   3  29.433 -16.610  -6.101
   27    HG2  LYS   3           HG2      LYS   3  30.482 -15.890  -8.227
   28    HG3  LYS   3           HG1      LYS   3  31.702 -16.439  -7.039
   29    HD2  LYS   3           HD2      LYS   3  32.312 -17.204  -9.277
   30    HD3  LYS   3           HD1      LYS   3  31.967 -18.605  -8.224
   31    HE2  LYS   3           HE2      LYS   3  31.031 -18.944 -10.513
   32    HE3  LYS   3           HE1      LYS   3  29.686 -18.857  -9.312
   33    HZ1  LYS   3           HZ1      LYS   3  30.627 -16.647 -11.066
   34    HZ2  LYS   3           HZ2      LYS   3  29.365 -16.554  -9.933
   35    HZ3  LYS   3           HZ3      LYS   3  29.226 -17.585 -11.275
   36    H    ASP   4           HN       ASP   4  32.160 -20.209  -5.745
   37    HA   ASP   4           HA       ASP   4  33.856 -18.260  -4.585
   38    HB2  ASP   4           HB2      ASP   4  32.573 -19.025  -2.491
   39    HB3  ASP   4           HB1      ASP   4  33.054 -20.716  -2.864
   40    H    TYR   5           HN       TYR   5  35.818 -18.789  -5.435
   41    HA   TYR   5           HA       TYR   5  36.345 -21.602  -6.087
   42    HB2  TYR   5           HB2      TYR   5  37.084 -19.215  -7.822
   43    HB3  TYR   5           HB1      TYR   5  37.627 -20.916  -8.102
   44    HD1  TYR   5           HD1      TYR   5  35.443 -22.644  -7.903
   45    HD2  TYR   5           HD2      TYR   5  35.456 -18.592  -9.340
   46    HE1  TYR   5           HE1      TYR   5  33.472 -23.137  -9.293
   47    HE2  TYR   5           HE2      TYR   5  33.508 -19.093 -10.770
   48    HH   TYR   5           HH       TYR   5  32.011 -20.645 -11.430
   49    H    HIS   6           HN       HIS   6  38.935 -20.127  -7.083
   50    HA   HIS   6           HA       HIS   6  40.355 -20.361  -4.581
   51    HB2  HIS   6           HB2      HIS   6  41.203 -19.894  -7.465
   52    HB3  HIS   6           HB1      HIS   6  42.363 -20.033  -6.104
   53    HD1  HIS   6           HD1      HIS   6  42.880 -22.062  -8.097
   54    HD2  HIS   6           HD2      HIS   6  39.847 -22.704  -5.266
   55    HE1  HIS   6           HE1      HIS   6  42.479 -24.560  -7.974
   56    HE2  HIS   6           HE2      HIS   6  40.646 -24.904  -6.257
   57    H    LEU   7           HN       LEU   7  38.548 -17.884  -5.788
   58    HA   LEU   7           HA       LEU   7  40.485 -15.836  -5.948
   59    HB2  LEU   7           HB2      LEU   7  37.415 -15.805  -5.765
   60    HB3  LEU   7           HB1      LEU   7  38.380 -14.296  -5.776
   61    HG   LEU   7           HG       LEU   7  39.395 -14.951  -7.972
   62   HD11  LEU   7          HD11      LEU   7  37.158 -17.075  -8.035
   63   HD12  LEU   7          HD12      LEU   7  38.936 -17.396  -8.093
   64   HD13  LEU   7          HD13      LEU   7  38.134 -16.540  -9.452
   65   HD21  LEU   7          HD21      LEU   7  37.411 -14.193  -9.274
   66   HD22  LEU   7          HD22      LEU   7  37.575 -13.276  -7.729
   67   HD23  LEU   7          HD23      LEU   7  36.337 -14.581  -7.876
   68    H    LYS   8           HN       LYS   8  40.275 -13.817  -4.553
   69    HA   LYS   8           HA       LYS   8  40.681 -14.642  -1.832
   70    HB2  LYS   8           HB2      LYS   8  42.130 -13.027  -3.384
   71    HB3  LYS   8           HB1      LYS   8  40.928 -11.795  -2.923
   72    HG2  LYS   8           HG2      LYS   8  41.586 -12.590  -0.421
   73    HG3  LYS   8           HG1      LYS   8  43.037 -13.247  -1.234
   74    HD2  LYS   8           HD2      LYS   8  43.558 -10.967  -2.131
   75    HD3  LYS   8           HD1      LYS   8  42.014 -10.340  -1.445
   76    HE2  LYS   8           HE2      LYS   8  42.840 -10.864   0.887
   77    HE3  LYS   8           HE1      LYS   8  44.423 -11.399   0.187
   78    HZ1  LYS   8           HZ1      LYS   8  44.481  -9.137   0.958
   79    HZ2  LYS   8           HZ2      LYS   8  43.204  -8.696  -0.070
   80    HZ3  LYS   8           HZ3      LYS   8  44.692  -9.189  -0.726
   81    H    GLU   9           HN       GLU   9  39.976 -12.113  -0.600
   82    HA   GLU   9           HA       GLU   9  37.100 -12.271  -0.412
   83    HB2  GLU   9           HB2      GLU   9  37.582 -10.463   1.398
   84    HB3  GLU   9           HB1      GLU   9  38.013 -12.175   1.706
   85    HG2  GLU   9           HG2      GLU   9  40.367 -11.839   1.285
   86    HG3  GLU   9           HG1      GLU   9  40.110 -10.139   0.753
   87    H    MET  10           HN       MET  10  38.898  -9.289  -0.106
   88    HA   MET  10           HA       MET  10  37.800  -8.268  -2.637
   89    HB2  MET  10           HB2      MET  10  37.767  -7.182   0.181
   90    HB3  MET  10           HB1      MET  10  37.750  -6.038  -1.234
   91    HG2  MET  10           HG2      MET  10  35.702  -7.112  -2.096
   92    HG3  MET  10           HG1      MET  10  35.716  -8.296  -0.757
   93    HE1  MET  10           HE1      MET  10  36.465  -6.613   1.863
   94    HE2  MET  10           HE2      MET  10  35.184  -7.860   1.669
   95    HE3  MET  10           HE3      MET  10  34.795  -6.273   2.417
   96    HA   PRO  11           HA       PRO  11  42.333  -7.560  -2.313
   97    HB2  PRO  11           HB2      PRO  11  42.999  -8.009  -4.973
   98    HB3  PRO  11           HB1      PRO  11  42.641  -9.363  -3.840
   99    HG2  PRO  11           HG1      PRO  11  40.701  -8.035  -5.808
  100    HG3  PRO  11           HG2      PRO  11  41.061  -9.803  -5.614
  101    HD2  PRO  11           HD1      PRO  11  38.910  -8.567  -4.371
  102    HD3  PRO  11           HD2      PRO  11  39.818  -9.902  -3.540
  103    H    GLU  12           HN       GLU  12  39.835  -5.720  -2.961
  104    HA   GLU  12           HA       GLU  12  41.010  -3.791  -4.781
  105    HB2  GLU  12           HB2      GLU  12  38.280  -3.879  -3.369
  106    HB3  GLU  12           HB1      GLU  12  38.761  -2.725  -4.670
  107    HG2  GLU  12           HG2      GLU  12  38.993  -4.624  -6.283
  108    HG3  GLU  12           HG1      GLU  12  38.514  -5.797  -5.000
  109    H    MET  13           HN       MET  13  42.211  -4.277  -2.088
  110    HA   MET  13           HA       MET  13  41.459  -1.948  -0.529
  111    HB2  MET  13           HB2      MET  13  43.583  -4.043   0.022
  112    HB3  MET  13           HB1      MET  13  43.093  -2.693   1.108
  113    HG2  MET  13           HG2      MET  13  41.408  -5.096   0.209
  114    HG3  MET  13           HG1      MET  13  42.052  -4.706   1.832
  115    HE1  MET  13           HE1      MET  13  38.203  -4.641   2.323
  116    HE2  MET  13           HE2      MET  13  39.784  -5.291   2.878
  117    HE3  MET  13           HE3      MET  13  39.182  -5.679   1.231
  118    H    GLU  14           HN       GLU  14  42.949  -0.202  -0.108
  119    HA   GLU  14           HA       GLU  14  45.402  -0.033  -1.584
  120    HB2  GLU  14           HB2      GLU  14  44.687   1.797  -3.080
  121    HB3  GLU  14           HB1      GLU  14  43.659   0.361  -3.380
  122    HG2  GLU  14           HG2      GLU  14  41.800   1.344  -2.026
  123    HG3  GLU  14           HG1      GLU  14  42.794   2.801  -1.677
  124    H    ASP  15           HN       ASP  15  42.946   1.072   0.586
  125    HA   ASP  15           HA       ASP  15  44.467   3.391   1.396
  126    HB2  ASP  15           HB2      ASP  15  42.741   3.921   2.930
  127    HB3  ASP  15           HB1      ASP  15  41.997   3.542   1.348
  128    H    GLU  16           HN       GLU  16  44.278   0.035   1.990
  129    HA   GLU  16           HA       GLU  16  45.485  -0.188   4.507
  130    HB2  GLU  16           HB2      GLU  16  44.407  -2.085   3.253
  131    HB3  GLU  16           HB1      GLU  16  45.681  -1.961   1.998
  132    HG2  GLU  16           HG2      GLU  16  47.421  -2.535   3.805
  133    HG3  GLU  16           HG1      GLU  16  46.061  -2.778   4.962
  134    H    PHE  17           HN       PHE  17  46.689   0.261   1.133
  135    HA   PHE  17           HA       PHE  17  49.422   0.118   1.774
  136    HB2  PHE  17           HB2      PHE  17  48.558  -0.245  -0.533
  137    HB3  PHE  17           HB1      PHE  17  47.945   1.431  -0.588
  138    HD1  PHE  17           HD1      PHE  17  51.001  -0.672  -0.551
  139    HD2  PHE  17           HD2      PHE  17  49.423   3.287  -1.011
  140    HE1  PHE  17           HE1      PHE  17  53.168   0.075  -1.490
  141    HE2  PHE  17           HE2      PHE  17  51.608   4.050  -1.912
  142    HZ   PHE  17           HZ       PHE  17  53.485   2.439  -2.109
  143    H    LEU  18           HN       LEU  18  47.025   2.793   1.758
  144    HA   LEU  18           HA       LEU  18  48.967   4.832   1.949
  145    HB2  LEU  18           HB2      LEU  18  45.950   4.650   2.325
  146    HB3  LEU  18           HB1      LEU  18  46.776   6.181   2.681
  147    HG   LEU  18           HG       LEU  18  47.002   4.712  -0.009
  148   HD11  LEU  18          HD11      LEU  18  44.632   5.362   0.389
  149   HD12  LEU  18          HD12      LEU  18  45.372   6.358  -0.918
  150   HD13  LEU  18          HD13      LEU  18  45.140   7.059   0.729
  151   HD21  LEU  18          HD21      LEU  18  47.795   6.919  -0.891
  152   HD22  LEU  18          HD22      LEU  18  48.897   6.270   0.372
  153   HD23  LEU  18          HD23      LEU  18  47.749   7.602   0.777
  154    H    GLU  19           HN       GLU  19  47.544   2.721   4.401
  155    HA   GLU  19           HA       GLU  19  48.125   4.690   6.495
  156    HB2  GLU  19           HB2      GLU  19  46.952   3.336   8.047
  157    HB3  GLU  19           HB1      GLU  19  45.930   3.618   6.594
  158    HG2  GLU  19           HG2      GLU  19  46.534   1.313   5.754
  159    HG3  GLU  19           HG1      GLU  19  47.537   1.083   7.237
  160    H    TYR  20           HN       TYR  20  49.350   1.909   4.899
  161    HA   TYR  20           HA       TYR  20  51.192   1.007   6.898
  162    HB2  TYR  20           HB2      TYR  20  50.740   0.608   3.884
  163    HB3  TYR  20           HB1      TYR  20  52.279   0.110   4.518
  164    HD1  TYR  20           HD1      TYR  20  52.401  -2.143   4.551
  165    HD2  TYR  20           HD2      TYR  20  48.952  -0.275   6.261
  166    HE1  TYR  20           HE1      TYR  20  51.614  -4.346   5.341
  167    HE2  TYR  20           HE2      TYR  20  48.134  -2.468   7.049
  168    HH   TYR  20           HH       TYR  20  49.987  -5.487   6.407
  169    H    CYS  21           HN       CYS  21  51.070   3.268   4.241
  170    HA   CYS  21           HA       CYS  21  53.834   3.404   3.948
  171    HB2  CYS  21           HB2      CYS  21  51.621   5.183   2.848
  172    HB3  CYS  21           HB1      CYS  21  53.329   5.658   2.622
  173    HG   CYS  21           HG1      CYS  21  51.975   2.789   1.789
  174    H    ALA  22           HN       ALA  22  51.962   4.635   6.436
  175    HA   ALA  22           HA       ALA  22  53.345   7.025   7.068
  176    HB1  ALA  22           HB1      ALA  22  52.233   6.752   9.296
  177    HB2  ALA  22           HB2      ALA  22  51.715   5.084   8.817
  178    HB3  ALA  22           HB3      ALA  22  51.075   6.521   7.932
  179    H    LYS  23           HN       LYS  23  54.118   3.667   7.183
  180    HA   LYS  23           HA       LYS  23  56.476   4.089   8.836
  181    HB2  LYS  23           HB2      LYS  23  55.265   1.864   9.044
  182    HB3  LYS  23           HB1      LYS  23  55.527   1.610   7.289
  183    HG2  LYS  23           HG2      LYS  23  58.059   1.736   7.741
  184    HG3  LYS  23           HG1      LYS  23  57.679   1.869   9.486
  185    HD2  LYS  23           HD2      LYS  23  58.299  -0.428   8.973
  186    HD3  LYS  23           HD1      LYS  23  56.560  -0.371   9.416
  187    HE2  LYS  23           HE2      LYS  23  56.963  -1.932   7.512
  188    HE3  LYS  23           HE1      LYS  23  55.929  -0.553   6.974
  189    HZ1  LYS  23           HZ1      LYS  23  57.627  -1.066   5.387
  190    HZ2  LYS  23           HZ2      LYS  23  58.857  -0.840   6.536
  191    HZ3  LYS  23           HZ3      LYS  23  57.903   0.476   6.045
  192    H    ASN  24           HN       ASN  24  57.107   5.773   7.476
  193    HA   ASN  24           HA       ASN  24  57.644   5.570   4.756
  194    HB2  ASN  24           HB2      ASN  24  58.832   7.415   6.920
  195    HB3  ASN  24           HB1      ASN  24  59.105   7.635   5.165
  196   HD21  ASN  24          HD21      ASN  24  55.687   9.064   6.851
  197   HD22  ASN  24          HD22      ASN  24  57.048   8.496   7.760
  198    HA   PRO  25           HA       PRO  25  62.093   4.240   5.820
  199    HB2  PRO  25           HB2      PRO  25  62.100   2.343   8.022
  200    HB3  PRO  25           HB1      PRO  25  62.834   4.005   8.024
  201    HG2  PRO  25           HG1      PRO  25  60.074   3.124   8.993
  202    HG3  PRO  25           HG2      PRO  25  61.217   4.302   9.767
  203    HD2  PRO  25           HD1      PRO  25  59.091   5.216   8.323
  204    HD3  PRO  25           HD2      PRO  25  60.715   5.987   8.059
  205    H    SER  26           HN       SER  26  62.862   2.289   4.890
  206    HA   SER  26           HA       SER  26  62.746   0.476   3.762
  207    HB2  SER  26           HB2      SER  26  60.732  -0.369   5.888
  208    HB3  SER  26           HB1      SER  26  61.253  -1.471   4.537
  209    HG   SER  26           HG1      SER  26  62.470  -1.716   6.406
  210    H    TYR  27           HN       TYR  27  62.177   1.803   2.085
  211    HA   TYR  27           HA       TYR  27  59.634   2.178   0.985
  212    HB2  TYR  27           HB2      TYR  27  61.350   3.603   0.129
  213    HB3  TYR  27           HB1      TYR  27  62.571   2.312   0.168
  214    HD1  TYR  27           HD1      TYR  27  60.055   4.003  -1.907
  215    HD2  TYR  27           HD2      TYR  27  62.749   0.662  -1.642
  216    HE1  TYR  27           HE1      TYR  27  59.957   3.729  -4.352
  217    HE2  TYR  27           HE2      TYR  27  62.602   0.346  -4.089
  218    HH   TYR  27           HH       TYR  27  60.599   2.528  -6.136
  219    H    GLU  28           HN       GLU  28  62.147  -0.290   0.795
  220    HA   GLU  28           HA       GLU  28  61.200  -1.816  -1.287
  221    HB2  GLU  28           HB2      GLU  28  62.675  -3.637   0.038
  222    HB3  GLU  28           HB1      GLU  28  63.416  -2.272  -0.848
  223    HG2  GLU  28           HG2      GLU  28  63.801  -0.959   1.119
  224    HG3  GLU  28           HG1      GLU  28  62.765  -2.005   2.144
  225    H    GLU  29           HN       GLU  29  60.570  -2.148   2.304
  226    HA   GLU  29           HA       GLU  29  59.230  -4.606   1.892
  227    HB2  GLU  29           HB2      GLU  29  59.204  -2.696   4.273
  228    HB3  GLU  29           HB1      GLU  29  58.437  -4.328   4.259
  229    HG2  GLU  29           HG2      GLU  29  60.648  -5.387   3.747
  230    HG3  GLU  29           HG1      GLU  29  61.449  -3.779   3.828
  231    H    ALA  30           HN       ALA  30  58.123  -1.204   1.846
  232    HA   ALA  30           HA       ALA  30  55.354  -1.937   2.108
  233    HB1  ALA  30           HB1      ALA  30  56.165   0.299   2.891
  234    HB2  ALA  30           HB2      ALA  30  54.917   0.468   1.602
  235    HB3  ALA  30           HB3      ALA  30  56.666   0.701   1.208
  236    H    TYR  31           HN       TYR  31  57.693  -1.714  -0.507
  237    HA   TYR  31           HA       TYR  31  55.701  -1.540  -2.601
  238    HB2  TYR  31           HB2      TYR  31  57.909  -0.496  -3.040
  239    HB3  TYR  31           HB1      TYR  31  58.733  -1.875  -2.356
  240    HD1  TYR  31           HD1      TYR  31  60.235  -2.370  -4.093
  241    HD2  TYR  31           HD2      TYR  31  56.069  -1.973  -5.007
  242    HE1  TYR  31           HE1      TYR  31  60.645  -3.299  -6.341
  243    HE2  TYR  31           HE2      TYR  31  56.443  -2.962  -7.233
  244    HH   TYR  31           HH       TYR  31  57.957  -3.794  -8.681
  245    H    LEU  32           HN       LEU  32  58.108  -3.951  -1.460
  246    HA   LEU  32           HA       LEU  32  57.344  -5.838  -3.334
  247    HB2  LEU  32           HB2      LEU  32  58.966  -6.026  -0.745
  248    HB3  LEU  32           HB1      LEU  32  58.880  -7.353  -1.941
  249    HG   LEU  32           HG       LEU  32  59.826  -4.494  -2.642
  250   HD11  LEU  32          HD11      LEU  32  61.289  -5.453  -0.838
  251   HD12  LEU  32          HD12      LEU  32  62.164  -5.297  -2.407
  252   HD13  LEU  32          HD13      LEU  32  61.584  -6.914  -1.852
  253   HD21  LEU  32          HD21      LEU  32  60.224  -7.182  -4.110
  254   HD22  LEU  32          HD22      LEU  32  60.923  -5.592  -4.595
  255   HD23  LEU  32          HD23      LEU  32  59.140  -5.831  -4.618
  256    H    LYS  33           HN       LYS  33  56.178  -5.302  -0.061
  257    HA   LYS  33           HA       LYS  33  55.016  -7.813   0.405
  258    HB2  LYS  33           HB2      LYS  33  55.198  -5.999   2.213
  259    HB3  LYS  33           HB1      LYS  33  54.002  -5.052   1.326
  260    HG2  LYS  33           HG2      LYS  33  52.951  -7.763   1.811
  261    HG3  LYS  33           HG1      LYS  33  53.676  -7.124   3.322
  262    HD2  LYS  33           HD2      LYS  33  52.336  -5.036   3.113
  263    HD3  LYS  33           HD1      LYS  33  51.667  -5.613   1.546
  264    HE2  LYS  33           HE2      LYS  33  50.079  -5.869   3.418
  265    HE3  LYS  33           HE1      LYS  33  50.480  -7.488   2.699
  266    HZ1  LYS  33           HZ1      LYS  33  52.025  -7.824   4.516
  267    HZ2  LYS  33           HZ2      LYS  33  50.450  -7.545   5.088
  268    HZ3  LYS  33           HZ3      LYS  33  51.620  -6.317   5.187
  269    H    PHE  34           HN       PHE  34  53.700  -4.754  -0.972
  270    HA   PHE  34           HA       PHE  34  51.174  -5.901  -1.645
  271    HB2  PHE  34           HB2      PHE  34  52.534  -3.183  -2.252
  272    HB3  PHE  34           HB1      PHE  34  50.908  -3.599  -2.851
  273    HD1  PHE  34           HD1      PHE  34  52.944  -3.259   0.256
  274    HD2  PHE  34           HD2      PHE  34  48.998  -3.369  -1.431
  275    HE1  PHE  34           HE1      PHE  34  52.039  -2.492   2.386
  276    HE2  PHE  34           HE2      PHE  34  48.063  -2.598   0.730
  277    HZ   PHE  34           HZ       PHE  34  49.567  -2.189   2.660
  278    H    GLY  35           HN       GLY  35  53.214  -4.008  -3.873
  279    HA2  GLY  35           HA2      GLY  35  54.459  -5.672  -5.400
  280    HA3  GLY  35           HA1      GLY  35  52.764  -5.843  -6.038
  281    H    ASP  36           HN       ASP  36  52.520  -4.589  -7.801
  282    HA   ASP  36           HA       ASP  36  54.175  -2.372  -8.291
  283    HB2  ASP  36           HB2      ASP  36  51.618  -3.237  -9.744
  284    HB3  ASP  36           HB1      ASP  36  52.880  -2.120 -10.389
  285    H    LYS  37           HN       LYS  37  51.707  -2.492  -6.129
  286    HA   LYS  37           HA       LYS  37  50.098  -0.301  -6.553
  287    HB2  LYS  37           HB2      LYS  37  49.736  -2.125  -4.862
  288    HB3  LYS  37           HB1      LYS  37  51.117  -1.480  -3.946
  289    HG2  LYS  37           HG2      LYS  37  49.001  -0.760  -2.937
  290    HG3  LYS  37           HG1      LYS  37  49.949   0.644  -3.531
  291    HD2  LYS  37           HD2      LYS  37  47.619   1.037  -3.948
  292    HD3  LYS  37           HD1      LYS  37  48.456   0.835  -5.522
  293    HE2  LYS  37           HE2      LYS  37  47.542  -1.518  -5.695
  294    HE3  LYS  37           HE1      LYS  37  46.735  -1.312  -4.085
  295    HZ1  LYS  37           HZ1      LYS  37  45.243  -0.923  -5.912
  296    HZ2  LYS  37           HZ2      LYS  37  46.231   0.318  -6.521
  297    HZ3  LYS  37           HZ3      LYS  37  45.468   0.501  -5.015
  298    H    LEU  38           HN       LEU  38  53.377  -0.572  -5.061
  299    HA   LEU  38           HA       LEU  38  53.343   2.164  -4.184
  300    HB2  LEU  38           HB2      LEU  38  54.712   0.338  -2.978
  301    HB3  LEU  38           HB1      LEU  38  55.716   0.221  -4.388
  302    HG   LEU  38           HG       LEU  38  55.397   2.997  -3.282
  303   HD11  LEU  38          HD11      LEU  38  56.983   0.916  -1.661
  304   HD12  LEU  38          HD12      LEU  38  55.445   1.702  -1.154
  305   HD13  LEU  38          HD13      LEU  38  56.934   2.690  -1.380
  306   HD21  LEU  38          HD21      LEU  38  57.897   1.365  -4.052
  307   HD22  LEU  38          HD22      LEU  38  57.819   3.142  -3.710
  308   HD23  LEU  38          HD23      LEU  38  56.988   2.462  -5.156
  309    H    LEU  39           HN       LEU  39  54.346   0.468  -7.131
  310    HA   LEU  39           HA       LEU  39  56.002   2.512  -8.089
  311    HB2  LEU  39           HB2      LEU  39  54.384   0.444  -9.665
  312    HB3  LEU  39           HB1      LEU  39  55.732   1.432 -10.305
  313    HG   LEU  39           HG       LEU  39  55.888  -0.707  -8.101
  314   HD11  LEU  39          HD11      LEU  39  57.199  -1.995  -9.763
  315   HD12  LEU  39          HD12      LEU  39  57.029  -0.654 -10.961
  316   HD13  LEU  39          HD13      LEU  39  55.572  -1.570 -10.422
  317   HD21  LEU  39          HD21      LEU  39  58.166   1.027  -9.259
  318   HD22  LEU  39          HD22      LEU  39  58.386  -0.429  -8.219
  319   HD23  LEU  39          HD23      LEU  39  57.569   1.026  -7.555
  320    H    GLU  40           HN       GLU  40  52.505   1.789  -8.695
  321    HA   GLU  40           HA       GLU  40  52.154   3.964 -10.451
  322    HB2  GLU  40           HB2      GLU  40  49.679   3.580 -10.027
  323    HB3  GLU  40           HB1      GLU  40  50.586   2.158 -10.660
  324    HG2  GLU  40           HG2      GLU  40  50.662   1.153  -8.406
  325    HG3  GLU  40           HG1      GLU  40  49.948   2.606  -7.679
  326    H    TYR  41           HN       TYR  41  51.848   3.678  -6.877
  327    HA   TYR  41           HA       TYR  41  50.344   6.095  -6.644
  328    HB2  TYR  41           HB2      TYR  41  51.572   4.047  -4.740
  329    HB3  TYR  41           HB1      TYR  41  51.276   5.672  -4.096
  330    HD1  TYR  41           HD1      TYR  41  48.988   4.080  -6.681
  331    HD2  TYR  41           HD2      TYR  41  49.572   5.217  -2.561
  332    HE1  TYR  41           HE1      TYR  41  46.633   3.670  -6.238
  333    HE2  TYR  41           HE2      TYR  41  47.190   4.819  -2.141
  334    HH   TYR  41           HH       TYR  41  45.199   4.251  -2.997
  335    H    GLU  42           HN       GLU  42  53.679   5.207  -6.903
  336    HA   GLU  42           HA       GLU  42  54.771   7.575  -5.773
  337    HB2  GLU  42           HB2      GLU  42  56.063   5.445  -6.054
  338    HB3  GLU  42           HB1      GLU  42  56.057   5.688  -7.831
  339    HG2  GLU  42           HG2      GLU  42  57.356   7.834  -7.526
  340    HG3  GLU  42           HG1      GLU  42  57.296   7.606  -5.738
  341    H    LEU  43           HN       LEU  43  54.070   6.456  -9.129
  342    HA   LEU  43           HA       LEU  43  54.798   8.833 -10.405
  343    HB2  LEU  43           HB2      LEU  43  53.287   6.298 -11.134
  344    HB3  LEU  43           HB1      LEU  43  53.134   7.707 -12.220
  345    HG   LEU  43           HG       LEU  43  55.644   7.876 -12.317
  346   HD11  LEU  43          HD11      LEU  43  56.306   6.455 -10.359
  347   HD12  LEU  43          HD12      LEU  43  57.047   5.895 -11.898
  348   HD13  LEU  43          HD13      LEU  43  55.646   5.004 -11.212
  349   HD21  LEU  43          HD21      LEU  43  54.346   5.319 -13.459
  350   HD22  LEU  43          HD22      LEU  43  55.835   6.125 -14.085
  351   HD23  LEU  43          HD23      LEU  43  54.247   6.975 -14.169
  352    H    LEU  44           HN       LEU  44  51.891   7.949  -8.619
  353    HA   LEU  44           HA       LEU  44  50.176   9.777  -9.943
  354    HB2  LEU  44           HB2      LEU  44  49.923   7.713  -7.959
  355    HB3  LEU  44           HB1      LEU  44  49.296   9.179  -7.202
  356    HG   LEU  44           HG       LEU  44  47.559   7.828  -8.250
  357   HD11  LEU  44          HD11      LEU  44  46.423   9.628  -9.493
  358   HD12  LEU  44          HD12      LEU  44  48.009  10.460  -9.767
  359   HD13  LEU  44          HD13      LEU  44  47.370  10.281  -8.090
  360   HD21  LEU  44          HD21      LEU  44  47.336   7.488 -10.682
  361   HD22  LEU  44          HD22      LEU  44  48.849   6.727 -10.069
  362   HD23  LEU  44          HD23      LEU  44  48.924   8.281 -10.981
  363    H    GLY  45           HN       GLY  45  51.569   9.795  -6.582
  364    HA2  GLY  45           HA2      GLY  45  52.969  11.690  -6.107
  365    HA3  GLY  45           HA1      GLY  45  51.638  12.742  -6.734
  366    H    LYS  46           HN       LYS  46  51.122   9.745  -4.915
  367    HA   LYS  46           HA       LYS  46  49.908  11.254  -2.724
  368    HB2  LYS  46           HB2      LYS  46  49.698   8.416  -3.734
  369    HB3  LYS  46           HB1      LYS  46  49.211   8.813  -2.046
  370    HG2  LYS  46           HG2      LYS  46  47.574  10.417  -2.738
  371    HG3  LYS  46           HG1      LYS  46  48.110  10.377  -4.450
  372    HD2  LYS  46           HD2      LYS  46  46.912   7.919  -3.028
  373    HD3  LYS  46           HD1      LYS  46  45.938   9.164  -3.890
  374    HE2  LYS  46           HE2      LYS  46  47.306   8.764  -5.985
  375    HE3  LYS  46           HE1      LYS  46  48.122   7.377  -5.156
  376    HZ1  LYS  46           HZ1      LYS  46  45.959   6.358  -4.878
  377    HZ2  LYS  46           HZ2      LYS  46  46.273   6.685  -6.513
  378    HZ3  LYS  46           HZ3      LYS  46  45.198   7.669  -5.642
  379    H    ILE  47           HN       ILE  47  52.472   8.999  -3.654
  380    HA   ILE  47           HA       ILE  47  53.908   9.576  -1.155
  381    HB   ILE  47           HB       ILE  47  55.090   7.429  -1.481
  382   HG12  ILE  47          HG12      ILE  47  52.857   6.198  -3.003
  383   HG13  ILE  47          HG11      ILE  47  53.706   7.417  -3.977
  384   HG21  ILE  47          HG21      ILE  47  53.328   6.059  -0.415
  385   HG22  ILE  47          HG22      ILE  47  52.060   7.233  -0.921
  386   HG23  ILE  47          HG23      ILE  47  53.334   7.732   0.256
  387   HD11  ILE  47           HD1      ILE  47  54.987   5.100  -2.517
  388   HD12  ILE  47           HD2      ILE  47  55.904   6.307  -3.492
  389   HD13  ILE  47           HD3      ILE  47  54.722   5.187  -4.282
  390    H    LYS  48           HN       LYS  48  56.359   9.361  -1.701
  391    HA   LYS  48           HA       LYS  48  56.957   9.365  -4.503
  392    HB2  LYS  48           HB2      LYS  48  58.021  11.602  -2.635
  393    HB3  LYS  48           HB1      LYS  48  58.544  11.364  -4.334
  394    HG2  LYS  48           HG2      LYS  48  56.264  11.958  -5.133
  395    HG3  LYS  48           HG1      LYS  48  55.726  12.224  -3.436
  396    HD2  LYS  48           HD2      LYS  48  57.985  13.771  -4.843
  397    HD3  LYS  48           HD1      LYS  48  56.284  14.336  -4.644
  398    HE2  LYS  48           HE2      LYS  48  56.563  14.259  -2.129
  399    HE3  LYS  48           HE1      LYS  48  58.294  13.769  -2.356
  400    HZ1  LYS  48           HZ1      LYS  48  58.662  15.820  -3.544
  401    HZ2  LYS  48           HZ2      LYS  48  58.061  16.113  -1.983
  402    HZ3  LYS  48           HZ3      LYS  48  57.042  16.282  -3.332
  403    H    ARG  49           HN       ARG  49  59.501   9.293  -4.679
  404    HA   ARG  49           HA       ARG  49  60.840   8.740  -2.211
  405    HB2  ARG  49           HB2      ARG  49  60.166   6.426  -2.770
  406    HB3  ARG  49           HB1      ARG  49  60.782   6.602  -4.442
  407    HG2  ARG  49           HG2      ARG  49  62.710   7.084  -2.128
  408    HG3  ARG  49           HG1      ARG  49  62.168   5.404  -2.422
  409    HD2  ARG  49           HD2      ARG  49  63.060   5.389  -4.716
  410    HD3  ARG  49           HD1      ARG  49  63.432   7.148  -4.638
  411    HE   ARG  49           HE       ARG  49  65.308   6.753  -3.301
  412   HH11  ARG  49          HH11      ARG  49  67.070   5.392  -2.661
  413   HH12  ARG  49          HH12      ARG  49  66.879   3.671  -2.618
  414   HH21  ARG  49          HH21      ARG  49  63.498   3.686  -3.709
  415   HH22  ARG  49          HH22      ARG  49  64.829   2.693  -3.222
  416    H    ILE  50           HN       ILE  50  63.010   9.404  -2.424
  417    HA   ILE  50           HA       ILE  50  64.024  10.048  -5.030
  418    HB   ILE  50           HB       ILE  50  62.653  11.978  -4.741
  419   HG12  ILE  50          HG12      ILE  50  65.541  12.806  -4.083
  420   HG13  ILE  50          HG11      ILE  50  65.031  12.122  -5.666
  421   HG21  ILE  50          HG21      ILE  50  64.020  12.471  -2.018
  422   HG22  ILE  50          HG22      ILE  50  62.344  11.847  -2.240
  423   HG23  ILE  50          HG23      ILE  50  62.774  13.496  -2.808
  424   HD11  ILE  50           HD1      ILE  50  63.366  13.960  -5.946
  425   HD12  ILE  50           HD2      ILE  50  65.051  14.592  -5.789
  426   HD13  ILE  50           HD3      ILE  50  63.913  14.708  -4.394
  427    H    ASN  51           HN       ASN  51  64.231  10.201  -1.452
  428    HA   ASN  51           HA       ASN  51  67.048  10.673  -1.536
  429    HB2  ASN  51           HB2      ASN  51  65.135  10.140   0.830
  430    HB3  ASN  51           HB1      ASN  51  66.866  10.630   0.971
  431   HD21  ASN  51          HD21      ASN  51  64.108  13.512   0.734
  432   HD22  ASN  51          HD22      ASN  51  63.834  11.880   1.247
  433    H    HIS  52           HN       HIS  52  65.372   8.274   0.545
  434    HA   HIS  52           HA       HIS  52  67.075   6.140  -0.508
  435    HB2  HIS  52           HB2      HIS  52  66.816   6.953   2.462
  436    HB3  HIS  52           HB1      HIS  52  67.671   5.489   1.853
  437    HD1  HIS  52           HD1      HIS  52  69.742   6.150   0.115
  438    HD2  HIS  52           HD2      HIS  52  68.418   9.179   2.703
  439    HE1  HIS  52           HE1      HIS  52  71.554   7.919   0.195
  440    HE2  HIS  52           HE2      HIS  52  70.713   9.729   1.755
  441    H    ILE  53           HN       ILE  53  64.367   7.396   1.432
  442    HA   ILE  53           HA       ILE  53  63.100   4.737   1.425
  443    HB   ILE  53           HB       ILE  53  62.011   5.339   3.487
  444   HG12  ILE  53          HG12      ILE  53  63.917   7.767   3.625
  445   HG13  ILE  53          HG11      ILE  53  62.176   7.879   3.186
  446   HG21  ILE  53          HG21      ILE  53  63.984   4.914   4.920
  447   HG22  ILE  53          HG22      ILE  53  65.093   5.451   3.612
  448   HG23  ILE  53          HG23      ILE  53  64.091   3.965   3.397
  449   HD11  ILE  53           HD1      ILE  53  61.570   6.748   5.334
  450   HD12  ILE  53           HD2      ILE  53  62.344   8.369   5.557
  451   HD13  ILE  53           HD3      ILE  53  63.290   6.864   5.870
  452    H    VAL  54           HN       VAL  54  60.624   5.062   1.775
  453    HA   VAL  54           HA       VAL  54  59.760   6.837  -0.310
  454    HB   VAL  54           HB       VAL  54  58.963   4.415   0.058
  455   HG11  VAL  54          HG11      VAL  54  57.042   4.047   1.541
  456   HG12  VAL  54          HG12      VAL  54  57.184   5.704   2.220
  457   HG13  VAL  54          HG13      VAL  54  58.505   4.495   2.477
  458   HG21  VAL  54          HG21      VAL  54  56.693   4.942  -0.807
  459   HG22  VAL  54          HG22      VAL  54  57.959   5.958  -1.587
  460   HG23  VAL  54          HG23      VAL  54  56.885   6.662  -0.314
  461    H    VAL  55           HN       VAL  55  58.187   8.577   0.099
  462    HA   VAL  55           HA       VAL  55  57.931   9.351   2.924
  463    HB   VAL  55           HB       VAL  55  57.908  11.721   2.230
  464   HG11  VAL  55          HG11      VAL  55  60.370  11.936   2.014
  465   HG12  VAL  55          HG12      VAL  55  60.512  10.209   1.523
  466   HG13  VAL  55          HG13      VAL  55  59.951  10.630   3.185
  467   HG21  VAL  55          HG21      VAL  55  58.793  12.386  -0.003
  468   HG22  VAL  55          HG22      VAL  55  57.299  11.413  -0.207
  469   HG23  VAL  55          HG23      VAL  55  58.915  10.667  -0.506
  470    H    LEU  56           HN       LEU  56  55.911  10.561   3.307
  471    HA   LEU  56           HA       LEU  56  53.776   9.857   1.426
  472    HB2  LEU  56           HB2      LEU  56  53.733  11.377   4.097
  473    HB3  LEU  56           HB1      LEU  56  52.284  11.032   3.097
  474    HG   LEU  56           HG       LEU  56  54.024   8.805   4.297
  475   HD11  LEU  56          HD11      LEU  56  53.271  10.269   6.149
  476   HD12  LEU  56          HD12      LEU  56  52.357   8.715   6.170
  477   HD13  LEU  56          HD13      LEU  56  51.574  10.209   5.540
  478   HD21  LEU  56          HD21      LEU  56  52.512   8.023   2.503
  479   HD22  LEU  56          HD22      LEU  56  51.110   8.853   3.284
  480   HD23  LEU  56          HD23      LEU  56  51.908   7.470   4.117
  481    H    ALA  57           HN       ALA  57  52.704  11.557   0.296
  482    HA   ALA  57           HA       ALA  57  54.111  14.135   0.222
  483    HB1  ALA  57           HB1      ALA  57  53.715  13.035  -1.999
  484    HB2  ALA  57           HB2      ALA  57  52.790  14.571  -1.841
  485    HB3  ALA  57           HB3      ALA  57  51.951  12.986  -1.647
  486    H    HIS  58           HN       HIS  58  51.020  12.443   0.862
  487    HA   HIS  58           HA       HIS  58  49.618  14.856   1.515
  488    HB2  HIS  58           HB2      HIS  58  48.379  12.893   0.589
  489    HB3  HIS  58           HB1      HIS  58  48.907  11.900   1.987
  490    HD1  HIS  58           HD1      HIS  58  46.992  15.194   1.441
  491    HD2  HIS  58           HD2      HIS  58  47.093  11.931   4.080
  492    HE1  HIS  58           HE1      HIS  58  45.134  15.532   3.130
  493    HE2  HIS  58           HE2      HIS  58  45.242  13.555   4.711
  494    H    HIS  59           HN       HIS  59  49.452  15.788   3.510
  495    HA   HIS  59           HA       HIS  59  50.093  14.213   5.869
  496    HB2  HIS  59           HB2      HIS  59  51.334  16.979   5.298
  497    HB3  HIS  59           HB1      HIS  59  51.381  16.106   6.870
  498    HD1  HIS  59           HD1      HIS  59  52.883  16.026   3.407
  499    HD2  HIS  59           HD2      HIS  59  53.213  13.936   7.032
  500    HE1  HIS  59           HE1      HIS  59  54.935  14.551   3.242
  501    HE2  HIS  59           HE2      HIS  59  55.091  13.300   5.440
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  36.478   0.235   6.784
    2    H2   MET   1           HT2      MET   1  36.458  -1.407   7.210
    3    H3   MET   1           HT3      MET   1  37.895  -0.694   6.649
    4    HA   MET   1           HA       MET   1  37.955  -1.014   8.998
    5    HB2  MET   1           HB2      MET   1  37.681   1.962   8.194
    6    HB3  MET   1           HB1      MET   1  38.489   1.370   9.685
    7    HG2  MET   1           HG2      MET   1  39.320   0.894   6.760
    8    HG3  MET   1           HG1      MET   1  40.102   1.992   7.928
    9    HE1  MET   1           HE1      MET   1  40.270   0.336  10.654
   10    HE2  MET   1           HE2      MET   1  41.555   1.346   9.901
   11    HE3  MET   1           HE3      MET   1  41.925  -0.324  10.450
   12    H    LEU   2           HN       LEU   2  36.052   1.988   9.058
   13    HA   LEU   2           HA       LEU   2  34.200   0.779  10.945
   14    HB2  LEU   2           HB2      LEU   2  34.471   3.718  10.053
   15    HB3  LEU   2           HB1      LEU   2  33.433   3.089  11.381
   16    HG   LEU   2           HG       LEU   2  36.476   2.899  11.189
   17   HD11  LEU   2          HD11      LEU   2  34.773   4.852  12.873
   18   HD12  LEU   2          HD12      LEU   2  35.748   5.272  11.414
   19   HD13  LEU   2          HD13      LEU   2  36.571   4.711  12.917
   20   HD21  LEU   2          HD21      LEU   2  36.400   2.312  13.645
   21   HD22  LEU   2          HD22      LEU   2  35.597   1.090  12.593
   22   HD23  LEU   2          HD23      LEU   2  34.595   2.255  13.540
   23    H    LYS   3           HN       LYS   3  34.234   3.042   8.269
   24    HA   LYS   3           HA       LYS   3  31.582   2.357   7.367
   25    HB2  LYS   3           HB2      LYS   3  32.353   4.712   7.197
   26    HB3  LYS   3           HB1      LYS   3  33.707   4.208   6.144
   27    HG2  LYS   3           HG2      LYS   3  31.902   5.252   4.834
   28    HG3  LYS   3           HG1      LYS   3  32.150   3.546   4.347
   29    HD2  LYS   3           HD2      LYS   3  29.781   4.065   4.358
   30    HD3  LYS   3           HD1      LYS   3  30.124   2.862   5.644
   31    HE2  LYS   3           HE2      LYS   3  30.011   4.694   7.385
   32    HE3  LYS   3           HE1      LYS   3  29.698   5.905   6.074
   33    HZ1  LYS   3           HZ1      LYS   3  27.692   5.182   7.148
   34    HZ2  LYS   3           HZ2      LYS   3  27.996   3.561   6.746
   35    HZ3  LYS   3           HZ3      LYS   3  27.698   4.698   5.520
   36    H    ASP   4           HN       ASP   4  31.226   0.549   6.269
   37    HA   ASP   4           HA       ASP   4  32.960  -0.108   4.014
   38    HB2  ASP   4           HB2      ASP   4  31.757  -2.119   6.036
   39    HB3  ASP   4           HB1      ASP   4  32.490  -2.584   4.454
   40    H    TYR   5           HN       TYR   5  31.535  -1.718   2.615
   41    HA   TYR   5           HA       TYR   5  28.778  -0.668   2.571
   42    HB2  TYR   5           HB2      TYR   5  30.631  -1.105   0.187
   43    HB3  TYR   5           HB1      TYR   5  28.904  -0.560   0.107
   44    HD1  TYR   5           HD1      TYR   5  32.343   0.498   0.438
   45    HD2  TYR   5           HD2      TYR   5  28.301   1.595   1.411
   46    HE1  TYR   5           HE1      TYR   5  33.067   2.828   0.803
   47    HE2  TYR   5           HE2      TYR   5  29.019   3.927   1.775
   48    HH   TYR   5           HH       TYR   5  30.733   5.385   1.777
   49    H    HIS   6           HN       HIS   6  29.062  -2.490   0.007
   50    HA   HIS   6           HA       HIS   6  27.981  -4.868   1.142
   51    HB2  HIS   6           HB2      HIS   6  27.426  -3.866  -1.151
   52    HB3  HIS   6           HB1      HIS   6  29.047  -4.341  -1.708
   53    HD1  HIS   6           HD1      HIS   6  26.012  -6.093  -0.119
   54    HD2  HIS   6           HD2      HIS   6  29.112  -6.864  -2.843
   55    HE1  HIS   6           HE1      HIS   6  25.647  -8.427  -1.037
   56    HE2  HIS   6           HE2      HIS   6  27.540  -8.855  -2.666
   57    H    LEU   7           HN       LEU   7  31.045  -3.641   0.147
   58    HA   LEU   7           HA       LEU   7  32.608  -5.775  -0.418
   59    HB2  LEU   7           HB2      LEU   7  33.419  -3.316   1.241
   60    HB3  LEU   7           HB1      LEU   7  34.560  -4.412   0.386
   61    HG   LEU   7           HG       LEU   7  32.396  -2.677  -0.958
   62   HD11  LEU   7          HD11      LEU   7  34.150  -1.285   0.113
   63   HD12  LEU   7          HD12      LEU   7  34.259  -1.208  -1.685
   64   HD13  LEU   7          HD13      LEU   7  35.435  -2.209  -0.752
   65   HD21  LEU   7          HD21      LEU   7  33.617  -3.184  -3.089
   66   HD22  LEU   7          HD22      LEU   7  32.934  -4.672  -2.345
   67   HD23  LEU   7          HD23      LEU   7  34.698  -4.321  -2.200
   68    H    LYS   8           HN       LYS   8  33.059  -7.593   0.599
   69    HA   LYS   8           HA       LYS   8  32.903  -7.704   3.531
   70    HB2  LYS   8           HB2      LYS   8  31.179  -9.043   2.300
   71    HB3  LYS   8           HB1      LYS   8  32.469  -9.864   1.369
   72    HG2  LYS   8           HG2      LYS   8  33.367 -10.848   3.512
   73    HG3  LYS   8           HG1      LYS   8  32.073  -9.996   4.430
   74    HD2  LYS   8           HD2      LYS   8  30.338 -11.274   3.158
   75    HD3  LYS   8           HD1      LYS   8  31.634 -12.104   2.223
   76    HE2  LYS   8           HE2      LYS   8  32.518 -13.132   4.349
   77    HE3  LYS   8           HE1      LYS   8  31.209 -12.304   5.288
   78    HZ1  LYS   8           HZ1      LYS   8  29.591 -13.510   3.986
   79    HZ2  LYS   8           HZ2      LYS   8  30.660 -14.570   4.773
   80    HZ3  LYS   8           HZ3      LYS   8  30.819 -14.286   3.106
   81    H    GLU   9           HN       GLU   9  34.444  -9.199   0.624
   82    HA   GLU   9           HA       GLU   9  36.824  -9.831   2.139
   83    HB2  GLU   9           HB2      GLU   9  37.556 -11.153   0.316
   84    HB3  GLU   9           HB1      GLU   9  35.869 -11.601   0.701
   85    HG2  GLU   9           HG2      GLU   9  36.784  -9.776  -1.601
   86    HG3  GLU   9           HG1      GLU   9  36.372 -11.519  -1.756
   87    H    MET  10           HN       MET  10  38.912  -9.426   0.573
   88    HA   MET  10           HA       MET  10  38.793  -6.558  -0.132
   89    HB2  MET  10           HB2      MET  10  41.048  -8.180   1.122
   90    HB3  MET  10           HB1      MET  10  41.210  -6.493   0.502
   91    HG2  MET  10           HG2      MET  10  39.525  -5.696   2.112
   92    HG3  MET  10           HG1      MET  10  39.227  -7.365   2.683
   93    HE1  MET  10           HE1      MET  10  39.468  -6.669   5.113
   94    HE2  MET  10           HE2      MET  10  39.697  -4.978   4.550
   95    HE3  MET  10           HE3      MET  10  40.807  -5.674   5.780
   96    HA   PRO  11           HA       PRO  11  40.193  -8.906  -3.814
   97    HB2  PRO  11           HB2      PRO  11  38.736  -7.571  -5.768
   98    HB3  PRO  11           HB1      PRO  11  38.002  -8.848  -4.723
   99    HG2  PRO  11           HG1      PRO  11  37.858  -5.813  -4.339
  100    HG3  PRO  11           HG2      PRO  11  36.504  -7.018  -4.282
  101    HD2  PRO  11           HD1      PRO  11  37.813  -6.082  -1.997
  102    HD3  PRO  11           HD2      PRO  11  37.170  -7.771  -2.097
  103    H    GLU  12           HN       GLU  12  40.044  -5.475  -2.940
  104    HA   GLU  12           HA       GLU  12  42.682  -5.095  -3.883
  105    HB2  GLU  12           HB2      GLU  12  41.471  -4.571  -6.034
  106    HB3  GLU  12           HB1      GLU  12  40.429  -3.405  -5.156
  107    HG2  GLU  12           HG2      GLU  12  42.464  -1.996  -4.627
  108    HG3  GLU  12           HG1      GLU  12  43.511  -3.218  -5.440
  109    H    MET  13           HN       MET  13  43.413  -4.280  -1.994
  110    HA   MET  13           HA       MET  13  41.782  -2.319  -0.553
  111    HB2  MET  13           HB2      MET  13  43.586  -4.436   0.289
  112    HB3  MET  13           HB1      MET  13  44.231  -2.868   0.853
  113    HG2  MET  13           HG2      MET  13  41.364  -3.883   1.276
  114    HG3  MET  13           HG1      MET  13  42.696  -3.982   2.468
  115    HE1  MET  13           HE1      MET  13  41.345  -2.930   4.322
  116    HE2  MET  13           HE2      MET  13  39.934  -2.868   3.210
  117    HE3  MET  13           HE3      MET  13  40.376  -1.423   4.184
  118    H    GLU  14           HN       GLU  14  43.040  -0.356   0.219
  119    HA   GLU  14           HA       GLU  14  45.330   0.335  -1.375
  120    HB2  GLU  14           HB2      GLU  14  44.278   2.309  -2.444
  121    HB3  GLU  14           HB1      GLU  14  43.474   0.793  -2.976
  122    HG2  GLU  14           HG2      GLU  14  41.561   1.202  -1.444
  123    HG3  GLU  14           HG1      GLU  14  42.323   2.733  -0.867
  124    H    ASP  15           HN       ASP  15  42.925   0.991   1.081
  125    HA   ASP  15           HA       ASP  15  44.382   3.245   2.139
  126    HB2  ASP  15           HB2      ASP  15  42.007   3.315   2.311
  127    HB3  ASP  15           HB1      ASP  15  41.955   1.733   3.200
  128    H    GLU  16           HN       GLU  16  44.313  -0.254   2.422
  129    HA   GLU  16           HA       GLU  16  45.767  -0.544   4.800
  130    HB2  GLU  16           HB2      GLU  16  44.647  -2.437   3.582
  131    HB3  GLU  16           HB1      GLU  16  45.823  -2.246   2.240
  132    HG2  GLU  16           HG2      GLU  16  47.705  -2.837   3.856
  133    HG3  GLU  16           HG1      GLU  16  46.481  -3.032   5.164
  134    H    PHE  17           HN       PHE  17  46.728  -0.142   1.326
  135    HA   PHE  17           HA       PHE  17  49.485  -0.086   1.801
  136    HB2  PHE  17           HB2      PHE  17  48.455  -0.495  -0.468
  137    HB3  PHE  17           HB1      PHE  17  47.832   1.183  -0.487
  138    HD1  PHE  17           HD1      PHE  17  49.332   3.050  -0.955
  139    HD2  PHE  17           HD2      PHE  17  50.882  -0.935  -0.630
  140    HE1  PHE  17           HE1      PHE  17  51.516   3.818  -1.849
  141    HE2  PHE  17           HE2      PHE  17  53.036  -0.178  -1.592
  142    HZ   PHE  17           HZ       PHE  17  53.385   2.204  -2.094
  143    H    LEU  18           HN       LEU  18  46.994   2.517   1.737
  144    HA   LEU  18           HA       LEU  18  48.851   4.565   1.584
  145    HB2  LEU  18           HB2      LEU  18  46.045   4.227   1.420
  146    HB3  LEU  18           HB1      LEU  18  46.200   5.404   2.706
  147    HG   LEU  18           HG       LEU  18  47.248   5.499  -0.191
  148   HD11  LEU  18          HD11      LEU  18  45.175   7.261   1.258
  149   HD12  LEU  18          HD12      LEU  18  44.821   5.927   0.095
  150   HD13  LEU  18          HD13      LEU  18  45.677   7.412  -0.468
  151   HD21  LEU  18          HD21      LEU  18  49.006   6.634   1.057
  152   HD22  LEU  18          HD22      LEU  18  47.793   7.650   1.939
  153   HD23  LEU  18          HD23      LEU  18  48.034   7.837   0.156
  154    H    GLU  19           HN       GLU  19  47.790   2.747   4.381
  155    HA   GLU  19           HA       GLU  19  48.528   4.943   6.198
  156    HB2  GLU  19           HB2      GLU  19  46.958   2.378   6.677
  157    HB3  GLU  19           HB1      GLU  19  47.481   3.510   7.973
  158    HG2  GLU  19           HG2      GLU  19  45.604   4.208   5.620
  159    HG3  GLU  19           HG1      GLU  19  45.136   3.919   7.332
  160    H    TYR  20           HN       TYR  20  49.603   2.027   4.742
  161    HA   TYR  20           HA       TYR  20  51.468   1.221   6.802
  162    HB2  TYR  20           HB2      TYR  20  50.882   0.509   3.868
  163    HB3  TYR  20           HB1      TYR  20  52.336  -0.112   4.591
  164    HD1  TYR  20           HD1      TYR  20  49.249   0.128   6.731
  165    HD2  TYR  20           HD2      TYR  20  51.863  -2.371   4.423
  166    HE1  TYR  20           HE1      TYR  20  48.182  -1.866   7.695
  167    HE2  TYR  20           HE2      TYR  20  50.779  -4.382   5.357
  168    HH   TYR  20           HH       TYR  20  49.171  -5.183   6.719
  169    H    CYS  21           HN       CYS  21  51.167   3.418   4.225
  170    HA   CYS  21           HA       CYS  21  53.823   3.490   3.427
  171    HB2  CYS  21           HB2      CYS  21  51.761   5.783   3.258
  172    HB3  CYS  21           HB1      CYS  21  53.383   5.864   2.510
  173    HG   CYS  21           HG1      CYS  21  51.662   5.477   0.685
  174    H    ALA  22           HN       ALA  22  52.190   4.760   6.201
  175    HA   ALA  22           HA       ALA  22  53.852   6.908   6.913
  176    HB1  ALA  22           HB1      ALA  22  52.701   6.730   9.129
  177    HB2  ALA  22           HB2      ALA  22  52.021   5.129   8.637
  178    HB3  ALA  22           HB3      ALA  22  51.521   6.628   7.772
  179    H    LYS  23           HN       LYS  23  54.362   3.509   6.924
  180    HA   LYS  23           HA       LYS  23  56.620   3.702   8.759
  181    HB2  LYS  23           HB2      LYS  23  55.240   1.568   8.762
  182    HB3  LYS  23           HB1      LYS  23  55.661   1.341   7.039
  183    HG2  LYS  23           HG2      LYS  23  58.169   1.404   7.835
  184    HG3  LYS  23           HG1      LYS  23  57.514   1.326   9.502
  185    HD2  LYS  23           HD2      LYS  23  58.133  -0.902   8.860
  186    HD3  LYS  23           HD1      LYS  23  56.334  -0.849   8.842
  187    HE2  LYS  23           HE2      LYS  23  56.387  -0.627   6.314
  188    HE3  LYS  23           HE1      LYS  23  58.196  -0.633   6.363
  189    HZ1  LYS  23           HZ1      LYS  23  58.115  -2.831   7.304
  190    HZ2  LYS  23           HZ2      LYS  23  57.281  -2.774   5.827
  191    HZ3  LYS  23           HZ3      LYS  23  56.415  -2.827   7.288
  192    H    ASN  24           HN       ASN  24  57.406   5.439   7.486
  193    HA   ASN  24           HA       ASN  24  58.069   5.246   4.798
  194    HB2  ASN  24           HB2      ASN  24  59.263   7.111   6.924
  195    HB3  ASN  24           HB1      ASN  24  59.531   7.248   5.150
  196   HD21  ASN  24          HD21      ASN  24  56.046   8.633   6.861
  197   HD22  ASN  24          HD22      ASN  24  57.293   7.881   7.799
  198    HA   PRO  25           HA       PRO  25  62.490   3.899   6.072
  199    HB2  PRO  25           HB2      PRO  25  62.546   2.287   8.461
  200    HB3  PRO  25           HB1      PRO  25  63.160   3.990   8.318
  201    HG2  PRO  25           HG1      PRO  25  60.422   3.026   9.282
  202    HG3  PRO  25           HG2      PRO  25  61.479   4.313  10.002
  203    HD2  PRO  25           HD1      PRO  25  59.369   5.005   8.416
  204    HD3  PRO  25           HD2      PRO  25  60.964   5.840   8.159
  205    H    SER  26           HN       SER  26  63.087   2.007   5.033
  206    HA   SER  26           HA       SER  26  62.894   0.140   4.020
  207    HB2  SER  26           HB2      SER  26  61.468  -0.737   6.584
  208    HB3  SER  26           HB1      SER  26  61.873  -1.887   5.231
  209    HG   SER  26           HG1      SER  26  63.437  -1.819   6.842
  210    H    TYR  27           HN       TYR  27  61.627   1.715   2.736
  211    HA   TYR  27           HA       TYR  27  58.830   1.476   2.527
  212    HB2  TYR  27           HB2      TYR  27  58.987   2.982   0.706
  213    HB3  TYR  27           HB1      TYR  27  60.252   3.533   1.861
  214    HD1  TYR  27           HD1      TYR  27  59.565   3.147  -1.493
  215    HD2  TYR  27           HD2      TYR  27  62.675   2.124   1.293
  216    HE1  TYR  27           HE1      TYR  27  61.151   3.022  -3.331
  217    HE2  TYR  27           HE2      TYR  27  64.276   1.943  -0.564
  218    HH   TYR  27           HH       TYR  27  63.278   2.545  -3.967
  219    H    GLU  28           HN       GLU  28  61.566  -0.161   1.372
  220    HA   GLU  28           HA       GLU  28  60.752  -1.356  -0.966
  221    HB2  GLU  28           HB2      GLU  28  62.568  -3.129  -0.178
  222    HB3  GLU  28           HB1      GLU  28  63.059  -1.454  -0.583
  223    HG2  GLU  28           HG2      GLU  28  63.189  -0.767   1.740
  224    HG3  GLU  28           HG1      GLU  28  62.484  -2.308   2.331
  225    H    GLU  29           HN       GLU  29  60.098  -2.177   2.464
  226    HA   GLU  29           HA       GLU  29  59.084  -4.777   1.853
  227    HB2  GLU  29           HB2      GLU  29  58.770  -2.983   4.315
  228    HB3  GLU  29           HB1      GLU  29  58.171  -4.680   4.202
  229    HG2  GLU  29           HG2      GLU  29  60.493  -5.503   3.804
  230    HG3  GLU  29           HG1      GLU  29  61.133  -3.827   3.928
  231    H    ALA  30           HN       ALA  30  57.759  -1.456   2.035
  232    HA   ALA  30           HA       ALA  30  55.037  -2.331   1.999
  233    HB1  ALA  30           HB1      ALA  30  56.241   0.441   1.397
  234    HB2  ALA  30           HB2      ALA  30  55.668  -0.125   3.005
  235    HB3  ALA  30           HB3      ALA  30  54.492   0.080   1.659
  236    H    TYR  31           HN       TYR  31  57.548  -1.944  -0.397
  237    HA   TYR  31           HA       TYR  31  55.703  -1.727  -2.626
  238    HB2  TYR  31           HB2      TYR  31  57.916  -0.655  -2.916
  239    HB3  TYR  31           HB1      TYR  31  58.719  -2.048  -2.228
  240    HD1  TYR  31           HD1      TYR  31  60.290  -2.515  -3.924
  241    HD2  TYR  31           HD2      TYR  31  56.160  -2.096  -4.981
  242    HE1  TYR  31           HE1      TYR  31  60.777  -3.418  -6.168
  243    HE2  TYR  31           HE2      TYR  31  56.608  -3.067  -7.199
  244    HH   TYR  31           HH       TYR  31  58.170  -3.886  -8.603
  245    H    LEU  32           HN       LEU  32  58.072  -4.135  -1.382
  246    HA   LEU  32           HA       LEU  32  57.429  -5.977  -3.347
  247    HB2  LEU  32           HB2      LEU  32  58.941  -6.198  -0.698
  248    HB3  LEU  32           HB1      LEU  32  58.919  -7.513  -1.912
  249    HG   LEU  32           HG       LEU  32  59.851  -4.638  -2.550
  250   HD11  LEU  32          HD11      LEU  32  61.261  -5.576  -0.699
  251   HD12  LEU  32          HD12      LEU  32  62.191  -5.412  -2.235
  252   HD13  LEU  32          HD13      LEU  32  61.611  -7.035  -1.699
  253   HD21  LEU  32          HD21      LEU  32  61.041  -5.708  -4.465
  254   HD22  LEU  32          HD22      LEU  32  59.265  -5.976  -4.559
  255   HD23  LEU  32          HD23      LEU  32  60.349  -7.312  -4.015
  256    H    LYS  33           HN       LYS  33  56.098  -5.575  -0.114
  257    HA   LYS  33           HA       LYS  33  54.964  -8.124   0.212
  258    HB2  LYS  33           HB2      LYS  33  55.084  -6.385   2.091
  259    HB3  LYS  33           HB1      LYS  33  53.928  -5.394   1.193
  260    HG2  LYS  33           HG2      LYS  33  52.708  -8.012   1.510
  261    HG3  LYS  33           HG1      LYS  33  53.524  -7.620   3.057
  262    HD2  LYS  33           HD2      LYS  33  52.372  -5.366   3.058
  263    HD3  LYS  33           HD1      LYS  33  51.573  -5.809   1.506
  264    HE2  LYS  33           HE2      LYS  33  50.050  -6.066   3.422
  265    HE3  LYS  33           HE1      LYS  33  50.350  -7.685   2.658
  266    HZ1  LYS  33           HZ1      LYS  33  50.416  -7.784   5.045
  267    HZ2  LYS  33           HZ2      LYS  33  51.644  -6.613   5.115
  268    HZ3  LYS  33           HZ3      LYS  33  51.952  -8.124   4.403
  269    H    PHE  34           HN       PHE  34  53.680  -5.029  -1.083
  270    HA   PHE  34           HA       PHE  34  51.149  -6.111  -1.825
  271    HB2  PHE  34           HB2      PHE  34  52.555  -3.396  -2.283
  272    HB3  PHE  34           HB1      PHE  34  50.916  -3.754  -2.904
  273    HD1  PHE  34           HD1      PHE  34  52.963  -3.527   0.194
  274    HD2  PHE  34           HD2      PHE  34  49.002  -3.625  -1.453
  275    HE1  PHE  34           HE1      PHE  34  52.073  -2.755   2.337
  276    HE2  PHE  34           HE2      PHE  34  48.089  -2.856   0.719
  277    HZ   PHE  34           HZ       PHE  34  49.628  -2.410   2.625
  278    H    GLY  35           HN       GLY  35  53.234  -4.139  -3.952
  279    HA2  GLY  35           HA2      GLY  35  54.520  -5.766  -5.478
  280    HA3  GLY  35           HA1      GLY  35  52.851  -5.926  -6.176
  281    H    ASP  36           HN       ASP  36  52.581  -4.626  -7.888
  282    HA   ASP  36           HA       ASP  36  54.284  -2.437  -8.350
  283    HB2  ASP  36           HB2      ASP  36  51.708  -3.232  -9.813
  284    HB3  ASP  36           HB1      ASP  36  52.988  -2.129 -10.445
  285    H    LYS  37           HN       LYS  37  51.852  -2.558  -6.183
  286    HA   LYS  37           HA       LYS  37  50.223  -0.385  -6.606
  287    HB2  LYS  37           HB2      LYS  37  49.907  -2.298  -4.978
  288    HB3  LYS  37           HB1      LYS  37  51.185  -1.582  -3.966
  289    HG2  LYS  37           HG2      LYS  37  49.017  -1.043  -3.065
  290    HG3  LYS  37           HG1      LYS  37  49.782   0.479  -3.633
  291    HD2  LYS  37           HD2      LYS  37  48.347   0.538  -5.613
  292    HD3  LYS  37           HD1      LYS  37  47.763  -1.141  -5.299
  293    HE2  LYS  37           HE2      LYS  37  46.701  -0.374  -3.165
  294    HE3  LYS  37           HE1      LYS  37  47.205   1.330  -3.517
  295    HZ1  LYS  37           HZ1      LYS  37  45.921   1.229  -5.551
  296    HZ2  LYS  37           HZ2      LYS  37  44.950   0.907  -4.196
  297    HZ3  LYS  37           HZ3      LYS  37  45.439  -0.363  -5.212
  298    H    LEU  38           HN       LEU  38  53.466  -0.672  -5.067
  299    HA   LEU  38           HA       LEU  38  53.419   2.054  -4.145
  300    HB2  LEU  38           HB2      LEU  38  54.731   0.196  -2.922
  301    HB3  LEU  38           HB1      LEU  38  55.787   0.107  -4.294
  302    HG   LEU  38           HG       LEU  38  55.421   2.865  -3.138
  303   HD11  LEU  38          HD11      LEU  38  56.915   0.733  -1.500
  304   HD12  LEU  38          HD12      LEU  38  55.358   1.516  -1.048
  305   HD13  LEU  38          HD13      LEU  38  56.863   2.501  -1.169
  306   HD21  LEU  38          HD21      LEU  38  57.936   1.233  -3.864
  307   HD22  LEU  38          HD22      LEU  38  57.898   2.983  -3.414
  308   HD23  LEU  38          HD23      LEU  38  57.098   2.422  -4.930
  309    H    LEU  39           HN       LEU  39  54.542   0.361  -7.059
  310    HA   LEU  39           HA       LEU  39  56.247   2.372  -7.959
  311    HB2  LEU  39           HB2      LEU  39  54.585   0.389  -9.602
  312    HB3  LEU  39           HB1      LEU  39  55.960   1.362 -10.213
  313    HG   LEU  39           HG       LEU  39  56.058  -0.827  -8.052
  314   HD11  LEU  39          HD11      LEU  39  57.196  -0.757 -10.913
  315   HD12  LEU  39          HD12      LEU  39  55.716  -1.642 -10.387
  316   HD13  LEU  39          HD13      LEU  39  57.331  -2.122  -9.738
  317   HD21  LEU  39          HD21      LEU  39  58.375   0.869  -9.189
  318   HD22  LEU  39          HD22      LEU  39  58.565  -0.611  -8.178
  319   HD23  LEU  39          HD23      LEU  39  57.786   0.850  -7.482
  320    H    GLU  40           HN       GLU  40  52.743   1.792  -8.577
  321    HA   GLU  40           HA       GLU  40  52.517   4.014 -10.322
  322    HB2  GLU  40           HB2      GLU  40  50.046   3.659 -10.077
  323    HB3  GLU  40           HB1      GLU  40  50.954   2.209 -10.648
  324    HG2  GLU  40           HG2      GLU  40  50.847   1.236  -8.355
  325    HG3  GLU  40           HG1      GLU  40  50.047   2.699  -7.740
  326    H    TYR  41           HN       TYR  41  52.006   3.633  -6.764
  327    HA   TYR  41           HA       TYR  41  50.545   6.085  -6.555
  328    HB2  TYR  41           HB2      TYR  41  51.637   3.957  -4.665
  329    HB3  TYR  41           HB1      TYR  41  51.405   5.575  -3.972
  330    HD1  TYR  41           HD1      TYR  41  49.125   4.168  -6.652
  331    HD2  TYR  41           HD2      TYR  41  49.651   5.118  -2.468
  332    HE1  TYR  41           HE1      TYR  41  46.762   3.750  -6.265
  333    HE2  TYR  41           HE2      TYR  41  47.270   4.633  -2.093
  334    HH   TYR  41           HH       TYR  41  45.294   4.066  -3.008
  335    H    GLU  42           HN       GLU  42  53.868   5.126  -6.647
  336    HA   GLU  42           HA       GLU  42  55.011   7.475  -5.518
  337    HB2  GLU  42           HB2      GLU  42  56.136   5.241  -5.764
  338    HB3  GLU  42           HB1      GLU  42  56.284   5.522  -7.526
  339    HG2  GLU  42           HG2      GLU  42  57.489   7.262  -5.261
  340    HG3  GLU  42           HG1      GLU  42  58.364   5.944  -6.112
  341    H    LEU  43           HN       LEU  43  54.352   6.350  -8.856
  342    HA   LEU  43           HA       LEU  43  55.207   8.727 -10.114
  343    HB2  LEU  43           HB2      LEU  43  53.481   6.340 -10.971
  344    HB3  LEU  43           HB1      LEU  43  53.966   7.618 -12.123
  345    HG   LEU  43           HG       LEU  43  55.946   5.886 -10.528
  346   HD11  LEU  43          HD11      LEU  43  54.583   4.471 -12.049
  347   HD12  LEU  43          HD12      LEU  43  56.289   4.594 -12.619
  348   HD13  LEU  43          HD13      LEU  43  54.994   5.545 -13.440
  349   HD21  LEU  43          HD21      LEU  43  56.956   8.037 -11.243
  350   HD22  LEU  43          HD22      LEU  43  56.400   7.758 -12.937
  351   HD23  LEU  43          HD23      LEU  43  57.632   6.669 -12.195
  352    H    LEU  44           HN       LEU  44  52.290   7.892  -8.432
  353    HA   LEU  44           HA       LEU  44  50.513   9.540  -9.919
  354    HB2  LEU  44           HB2      LEU  44  49.680   7.534  -8.877
  355    HB3  LEU  44           HB1      LEU  44  50.330   8.047  -7.294
  356    HG   LEU  44           HG       LEU  44  48.663   9.769  -7.061
  357   HD11  LEU  44          HD11      LEU  44  47.636   8.987  -9.874
  358   HD12  LEU  44          HD12      LEU  44  48.402  10.556  -9.419
  359   HD13  LEU  44          HD13      LEU  44  46.803  10.106  -8.730
  360   HD21  LEU  44          HD21      LEU  44  47.370   7.133  -7.992
  361   HD22  LEU  44          HD22      LEU  44  46.618   8.368  -6.912
  362   HD23  LEU  44          HD23      LEU  44  48.081   7.462  -6.368
  363    H    GLY  45           HN       GLY  45  51.343   9.689  -6.369
  364    HA2  GLY  45           HA2      GLY  45  52.725  11.751  -5.959
  365    HA3  GLY  45           HA1      GLY  45  51.260  12.610  -6.584
  366    H    LYS  46           HN       LYS  46  50.859   9.593  -4.836
  367    HA   LYS  46           HA       LYS  46  49.563  10.984  -2.639
  368    HB2  LYS  46           HB2      LYS  46  49.830   8.061  -3.405
  369    HB3  LYS  46           HB1      LYS  46  49.150   8.602  -1.825
  370    HG2  LYS  46           HG2      LYS  46  47.476  10.008  -3.006
  371    HG3  LYS  46           HG1      LYS  46  48.061   9.405  -4.595
  372    HD2  LYS  46           HD2      LYS  46  47.348   7.129  -4.063
  373    HD3  LYS  46           HD1      LYS  46  47.010   7.578  -2.350
  374    HE2  LYS  46           HE2      LYS  46  45.201   9.143  -3.101
  375    HE3  LYS  46           HE1      LYS  46  45.505   8.672  -4.823
  376    HZ1  LYS  46           HZ1      LYS  46  43.669   7.466  -3.879
  377    HZ2  LYS  46           HZ2      LYS  46  44.641   6.855  -2.628
  378    HZ3  LYS  46           HZ3      LYS  46  44.942   6.401  -4.236
  379    H    ILE  47           HN       ILE  47  52.155   8.575  -3.259
  380    HA   ILE  47           HA       ILE  47  53.722   9.615  -0.987
  381    HB   ILE  47           HB       ILE  47  55.170   7.661  -1.373
  382   HG12  ILE  47          HG12      ILE  47  52.863   6.359  -2.873
  383   HG13  ILE  47          HG11      ILE  47  53.952   7.400  -3.813
  384   HG21  ILE  47          HG21      ILE  47  53.716   6.105  -0.163
  385   HG22  ILE  47          HG22      ILE  47  52.237   7.012  -0.654
  386   HG23  ILE  47          HG23      ILE  47  53.450   7.779   0.448
  387   HD11  ILE  47           HD1      ILE  47  54.779   5.038  -2.141
  388   HD12  ILE  47           HD2      ILE  47  55.934   6.065  -3.068
  389   HD13  ILE  47           HD3      ILE  47  54.701   5.054  -3.929
  390    H    LYS  48           HN       LYS  48  56.126   9.730  -1.698
  391    HA   LYS  48           HA       LYS  48  56.492   9.248  -4.500
  392    HB2  LYS  48           HB2      LYS  48  57.801  11.724  -3.164
  393    HB3  LYS  48           HB1      LYS  48  58.135  11.161  -4.836
  394    HG2  LYS  48           HG2      LYS  48  55.800  11.697  -5.501
  395    HG3  LYS  48           HG1      LYS  48  55.460  12.314  -3.844
  396    HD2  LYS  48           HD2      LYS  48  57.599  13.431  -5.758
  397    HD3  LYS  48           HD1      LYS  48  55.953  14.118  -5.502
  398    HE2  LYS  48           HE2      LYS  48  56.508  14.531  -3.069
  399    HE3  LYS  48           HE1      LYS  48  58.182  13.899  -3.359
  400    HZ1  LYS  48           HZ1      LYS  48  58.090  16.278  -3.457
  401    HZ2  LYS  48           HZ2      LYS  48  56.937  16.237  -4.704
  402    HZ3  LYS  48           HZ3      LYS  48  58.503  15.640  -4.976
  403    H    ARG  49           HN       ARG  49  59.128   9.344  -4.751
  404    HA   ARG  49           HA       ARG  49  60.454   8.559  -2.297
  405    HB2  ARG  49           HB2      ARG  49  59.715   6.396  -3.364
  406    HB3  ARG  49           HB1      ARG  49  60.586   6.840  -4.861
  407    HG2  ARG  49           HG2      ARG  49  61.964   6.581  -2.095
  408    HG3  ARG  49           HG1      ARG  49  61.649   5.199  -3.195
  409    HD2  ARG  49           HD2      ARG  49  63.041   6.289  -4.994
  410    HD3  ARG  49           HD1      ARG  49  63.501   7.587  -3.809
  411    HE   ARG  49           HE       ARG  49  63.942   4.947  -2.677
  412   HH11  ARG  49          HH11      ARG  49  66.096   4.059  -2.632
  413   HH12  ARG  49          HH12      ARG  49  67.349   4.755  -3.604
  414   HH21  ARG  49          HH21      ARG  49  65.290   7.276  -5.037
  415   HH22  ARG  49          HH22      ARG  49  66.885   6.606  -4.987
  416    H    ILE  50           HN       ILE  50  62.409   9.728  -2.350
  417    HA   ILE  50           HA       ILE  50  63.445  10.500  -4.939
  418    HB   ILE  50           HB       ILE  50  61.928  12.324  -4.481
  419   HG12  ILE  50          HG12      ILE  50  63.482  14.259  -4.412
  420   HG13  ILE  50          HG11      ILE  50  64.841  13.186  -3.958
  421   HG21  ILE  50          HG21      ILE  50  63.353  12.693  -1.771
  422   HG22  ILE  50          HG22      ILE  50  61.690  12.032  -2.013
  423   HG23  ILE  50          HG23      ILE  50  62.062  13.729  -2.468
  424   HD11  ILE  50           HD1      ILE  50  63.190  12.986  -6.573
  425   HD12  ILE  50           HD2      ILE  50  64.629  11.980  -6.155
  426   HD13  ILE  50           HD3      ILE  50  64.816  13.750  -6.414
  427    H    ASN  51           HN       ASN  51  63.752  10.306  -1.368
  428    HA   ASN  51           HA       ASN  51  66.548  10.900  -1.545
  429    HB2  ASN  51           HB2      ASN  51  65.052  11.754   0.311
  430    HB3  ASN  51           HB1      ASN  51  64.881  10.083   0.922
  431   HD21  ASN  51          HD21      ASN  51  68.597  12.067   1.144
  432   HD22  ASN  51          HD22      ASN  51  67.496  12.415  -0.147
  433    H    HIS  52           HN       HIS  52  65.400   8.321   0.626
  434    HA   HIS  52           HA       HIS  52  66.662   6.301  -1.072
  435    HB2  HIS  52           HB2      HIS  52  67.726   5.215   0.827
  436    HB3  HIS  52           HB1      HIS  52  68.374   6.873   0.631
  437    HD1  HIS  52           HD1      HIS  52  68.481   5.188   3.276
  438    HD2  HIS  52           HD2      HIS  52  65.742   8.268   2.493
  439    HE1  HIS  52           HE1      HIS  52  67.737   6.120   5.510
  440    HE2  HIS  52           HE2      HIS  52  66.098   7.982   4.992
  441    H    ILE  53           HN       ILE  53  64.161   7.459   1.018
  442    HA   ILE  53           HA       ILE  53  62.772   4.886   0.918
  443    HB   ILE  53           HB       ILE  53  61.766   5.366   3.087
  444   HG12  ILE  53          HG12      ILE  53  63.926   7.566   3.336
  445   HG13  ILE  53          HG11      ILE  53  62.170   7.845   3.124
  446   HG21  ILE  53          HG21      ILE  53  63.692   4.521   4.395
  447   HG22  ILE  53          HG22      ILE  53  64.837   5.056   3.116
  448   HG23  ILE  53          HG23      ILE  53  63.638   3.750   2.777
  449   HD11  ILE  53           HD1      ILE  53  61.764   6.454   5.197
  450   HD12  ILE  53           HD2      ILE  53  62.590   8.040   5.494
  451   HD13  ILE  53           HD3      ILE  53  63.536   6.502   5.534
  452    H    VAL  54           HN       VAL  54  60.299   5.536   1.543
  453    HA   VAL  54           HA       VAL  54  59.607   7.437  -0.451
  454    HB   VAL  54           HB       VAL  54  57.217   7.086   0.297
  455   HG11  VAL  54          HG11      VAL  54  58.166   5.969  -1.630
  456   HG12  VAL  54          HG12      VAL  54  57.141   4.805  -0.705
  457   HG13  VAL  54          HG13      VAL  54  58.940   4.751  -0.563
  458   HG21  VAL  54          HG21      VAL  54  57.629   6.428   2.674
  459   HG22  VAL  54          HG22      VAL  54  58.528   4.966   2.139
  460   HG23  VAL  54          HG23      VAL  54  56.773   5.128   1.781
  461    H    VAL  55           HN       VAL  55  58.398   9.375  -0.114
  462    HA   VAL  55           HA       VAL  55  58.330  10.429   2.628
  463    HB   VAL  55           HB       VAL  55  58.063  12.681   1.606
  464   HG11  VAL  55          HG11      VAL  55  60.673  11.202   0.841
  465   HG12  VAL  55          HG12      VAL  55  60.264  11.855   2.473
  466   HG13  VAL  55          HG13      VAL  55  60.475  12.977   1.078
  467   HG21  VAL  55          HG21      VAL  55  58.692  13.026  -0.793
  468   HG22  VAL  55          HG22      VAL  55  57.230  11.993  -0.674
  469   HG23  VAL  55          HG23      VAL  55  58.834  11.253  -1.040
  470    H    LEU  56           HN       LEU  56  56.249  11.442   3.138
  471    HA   LEU  56           HA       LEU  56  54.023  10.400   1.521
  472    HB2  LEU  56           HB2      LEU  56  54.137  11.829   4.238
  473    HB3  LEU  56           HB1      LEU  56  52.606  11.419   3.399
  474    HG   LEU  56           HG       LEU  56  54.639   9.256   4.178
  475   HD11  LEU  56          HD11      LEU  56  52.303  10.341   5.875
  476   HD12  LEU  56          HD12      LEU  56  54.061  10.516   6.238
  477   HD13  LEU  56          HD13      LEU  56  53.298   8.884   6.245
  478   HD21  LEU  56          HD21      LEU  56  51.616   9.177   3.573
  479   HD22  LEU  56          HD22      LEU  56  52.617   7.787   4.130
  480   HD23  LEU  56          HD23      LEU  56  52.943   8.546   2.524
  481    H    ALA  57           HN       ALA  57  52.570  11.915   0.614
  482    HA   ALA  57           HA       ALA  57  53.577  14.582   0.147
  483    HB1  ALA  57           HB1      ALA  57  51.550  14.886  -1.258
  484    HB2  ALA  57           HB2      ALA  57  50.889  13.318  -0.651
  485    HB3  ALA  57           HB3      ALA  57  52.374  13.341  -1.667
  486    H    HIS  58           HN       HIS  58  52.346  13.295   2.865
  487    HA   HIS  58           HA       HIS  58  50.220  15.121   3.468
  488    HB2  HIS  58           HB2      HIS  58  51.769  13.196   5.303
  489    HB3  HIS  58           HB1      HIS  58  50.211  14.013   5.691
  490    HD1  HIS  58           HD1      HIS  58  49.965  11.191   6.044
  491    HD2  HIS  58           HD2      HIS  58  49.683  12.739   2.152
  492    HE1  HIS  58           HE1      HIS  58  48.773   9.462   4.629
  493    HE2  HIS  58           HE2      HIS  58  48.629  10.430   2.293
  494    H    HIS  59           HN       HIS  59  50.385  16.435   5.548
  495    HA   HIS  59           HA       HIS  59  53.087  17.479   6.007
  496    HB2  HIS  59           HB2      HIS  59  50.528  19.151   5.653
  497    HB3  HIS  59           HB1      HIS  59  52.161  19.793   6.066
  498    HD1  HIS  59           HD1      HIS  59  54.041  19.110   4.103
  499    HD2  HIS  59           HD2      HIS  59  50.007  19.109   2.944
  500    HE1  HIS  59           HE1      HIS  59  53.984  19.202   1.571
  501    HE2  HIS  59           HE2      HIS  59  51.536  19.183   0.915
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  38.367 -25.661   7.487
    2    H2   MET   1           HT2      MET   1  37.361 -26.630   8.454
    3    H3   MET   1           HT3      MET   1  37.303 -24.937   8.597
    4    HA   MET   1           HA       MET   1  35.430 -25.768   7.401
    5    HB2  MET   1           HB2      MET   1  37.414 -24.280   5.558
    6    HB3  MET   1           HB1      MET   1  35.623 -24.281   5.377
    7    HG2  MET   1           HG2      MET   1  37.213 -23.061   7.704
    8    HG3  MET   1           HG1      MET   1  36.451 -22.189   6.344
    9    HE1  MET   1           HE1      MET   1  35.372 -20.579   8.005
   10    HE2  MET   1           HE2      MET   1  36.123 -21.477   9.369
   11    HE3  MET   1           HE3      MET   1  34.377 -21.054   9.424
   12    H    LEU   2           HN       LEU   2  35.856 -25.793   4.352
   13    HA   LEU   2           HA       LEU   2  36.383 -28.663   4.091
   14    HB2  LEU   2           HB2      LEU   2  34.960 -26.594   2.332
   15    HB3  LEU   2           HB1      LEU   2  35.516 -28.159   1.663
   16    HG   LEU   2           HG       LEU   2  34.183 -29.405   3.322
   17   HD11  LEU   2          HD11      LEU   2  32.228 -28.270   4.453
   18   HD12  LEU   2          HD12      LEU   2  32.936 -26.667   4.028
   19   HD13  LEU   2          HD13      LEU   2  33.809 -27.781   5.149
   20   HD21  LEU   2          HD21      LEU   2  33.412 -29.020   0.994
   21   HD22  LEU   2          HD22      LEU   2  32.596 -27.491   1.497
   22   HD23  LEU   2          HD23      LEU   2  32.018 -29.076   2.136
   23    H    LYS   3           HN       LYS   3  37.423 -29.037   1.751
   24    HA   LYS   3           HA       LYS   3  40.030 -27.845   1.933
   25    HB2  LYS   3           HB2      LYS   3  39.720 -30.264   1.534
   26    HB3  LYS   3           HB1      LYS   3  38.896 -29.937  -0.020
   27    HG2  LYS   3           HG2      LYS   3  41.740 -28.892   0.492
   28    HG3  LYS   3           HG1      LYS   3  41.463 -30.633   0.148
   29    HD2  LYS   3           HD2      LYS   3  40.380 -30.099  -2.018
   30    HD3  LYS   3           HD1      LYS   3  40.596 -28.345  -1.719
   31    HE2  LYS   3           HE2      LYS   3  42.361 -29.119  -3.247
   32    HE3  LYS   3           HE1      LYS   3  43.103 -28.659  -1.660
   33    HZ1  LYS   3           HZ1      LYS   3  42.441 -31.416  -2.562
   34    HZ2  LYS   3           HZ2      LYS   3  43.135 -30.989  -1.071
   35    HZ3  LYS   3           HZ3      LYS   3  43.985 -30.708  -2.515
   36    H    ASP   4           HN       ASP   4  40.627 -26.043   0.884
   37    HA   ASP   4           HA       ASP   4  38.956 -25.064  -1.324
   38    HB2  ASP   4           HB2      ASP   4  40.958 -23.571   0.483
   39    HB3  ASP   4           HB1      ASP   4  39.978 -22.826  -0.838
   40    H    TYR   5           HN       TYR   5  40.262 -23.798  -2.977
   41    HA   TYR   5           HA       TYR   5  42.521 -25.503  -3.774
   42    HB2  TYR   5           HB2      TYR   5  40.536 -23.974  -5.508
   43    HB3  TYR   5           HB1      TYR   5  41.853 -25.068  -6.104
   44    HD1  TYR   5           HD1      TYR   5  38.438 -24.889  -4.873
   45    HD2  TYR   5           HD2      TYR   5  41.818 -27.506  -5.333
   46    HE1  TYR   5           HE1      TYR   5  36.968 -26.842  -4.539
   47    HE2  TYR   5           HE2      TYR   5  40.351 -29.463  -5.008
   48    HH   TYR   5           HH       TYR   5  36.830 -29.085  -4.392
   49    H    HIS   6           HN       HIS   6  42.644 -23.354  -6.018
   50    HA   HIS   6           HA       HIS   6  44.680 -21.748  -4.757
   51    HB2  HIS   6           HB2      HIS   6  43.696 -22.054  -7.623
   52    HB3  HIS   6           HB1      HIS   6  45.029 -20.956  -7.148
   53    HD1  HIS   6           HD1      HIS   6  44.218 -24.696  -7.155
   54    HD2  HIS   6           HD2      HIS   6  47.533 -22.128  -6.961
   55    HE1  HIS   6           HE1      HIS   6  46.296 -26.135  -7.317
   56    HE2  HIS   6           HE2      HIS   6  48.270 -24.551  -7.193
   57    H    LEU   7           HN       LEU   7  41.425 -21.458  -4.717
   58    HA   LEU   7           HA       LEU   7  40.991 -19.061  -6.087
   59    HB2  LEU   7           HB2      LEU   7  39.325 -20.331  -3.830
   60    HB3  LEU   7           HB1      LEU   7  38.746 -19.059  -4.961
   61    HG   LEU   7           HG       LEU   7  39.625 -21.906  -5.753
   62   HD11  LEU   7          HD11      LEU   7  37.570 -21.942  -4.368
   63   HD12  LEU   7          HD12      LEU   7  37.217 -22.392  -6.077
   64   HD13  LEU   7          HD13      LEU   7  36.785 -20.748  -5.470
   65   HD21  LEU   7          HD21      LEU   7  39.945 -20.322  -7.643
   66   HD22  LEU   7          HD22      LEU   7  38.259 -19.708  -7.438
   67   HD23  LEU   7          HD23      LEU   7  38.549 -21.411  -7.958
   68    H    LYS   8           HN       LYS   8  41.173 -16.986  -5.490
   69    HA   LYS   8           HA       LYS   8  41.738 -16.325  -2.684
   70    HB2  LYS   8           HB2      LYS   8  43.849 -16.367  -4.128
   71    HB3  LYS   8           HB1      LYS   8  43.076 -15.177  -5.223
   72    HG2  LYS   8           HG2      LYS   8  42.984 -13.529  -3.324
   73    HG3  LYS   8           HG1      LYS   8  43.751 -14.744  -2.240
   74    HD2  LYS   8           HD2      LYS   8  45.773 -14.763  -3.725
   75    HD3  LYS   8           HD1      LYS   8  45.001 -13.545  -4.798
   76    HE2  LYS   8           HE2      LYS   8  45.720 -13.117  -1.811
   77    HE3  LYS   8           HE1      LYS   8  46.655 -12.489  -3.229
   78    HZ1  LYS   8           HZ1      LYS   8  44.726 -11.216  -3.872
   79    HZ2  LYS   8           HZ2      LYS   8  45.212 -10.835  -2.290
   80    HZ3  LYS   8           HZ3      LYS   8  43.843 -11.807  -2.548
   81    H    GLU   9           HN       GLU   9  40.869 -14.136  -2.124
   82    HA   GLU   9           HA       GLU   9  38.810 -13.263  -3.973
   83    HB2  GLU   9           HB2      GLU   9  38.025 -11.840  -2.099
   84    HB3  GLU   9           HB1      GLU   9  37.930 -13.604  -1.770
   85    HG2  GLU   9           HG2      GLU   9  40.008 -13.504  -0.395
   86    HG3  GLU   9           HG1      GLU   9  40.121 -11.725  -0.673
   87    H    MET  10           HN       MET  10  39.292 -11.536  -5.239
   88    HA   MET  10           HA       MET  10  41.493  -9.790  -4.358
   89    HB2  MET  10           HB2      MET  10  41.000 -10.897  -7.162
   90    HB3  MET  10           HB1      MET  10  42.119  -9.534  -6.793
   91    HG2  MET  10           HG2      MET  10  43.508 -10.959  -5.381
   92    HG3  MET  10           HG1      MET  10  42.394 -12.344  -5.564
   93    HE1  MET  10           HE1      MET  10  42.851 -13.744  -9.047
   94    HE2  MET  10           HE2      MET  10  41.546 -12.672  -8.440
   95    HE3  MET  10           HE3      MET  10  42.231 -13.947  -7.373
   96    HA   PRO  11           HA       PRO  11  37.876  -7.214  -5.398
   97    HB2  PRO  11           HB2      PRO  11  37.599  -5.880  -3.015
   98    HB3  PRO  11           HB1      PRO  11  37.040  -7.574  -3.206
   99    HG2  PRO  11           HG1      PRO  11  39.730  -6.674  -2.030
  100    HG3  PRO  11           HG2      PRO  11  38.491  -7.769  -1.281
  101    HD2  PRO  11           HD1      PRO  11  40.647  -8.770  -2.734
  102    HD3  PRO  11           HD2      PRO  11  39.030  -9.551  -2.806
  103    H    GLU  12           HN       GLU  12  38.882  -4.728  -3.459
  104    HA   GLU  12           HA       GLU  12  41.314  -4.056  -4.832
  105    HB2  GLU  12           HB2      GLU  12  39.615  -3.174  -6.460
  106    HB3  GLU  12           HB1      GLU  12  38.783  -2.315  -5.130
  107    HG2  GLU  12           HG2      GLU  12  40.179  -0.764  -6.490
  108    HG3  GLU  12           HG1      GLU  12  40.773  -0.836  -4.795
  109    H    MET  13           HN       MET  13  42.445  -3.823  -2.988
  110    HA   MET  13           HA       MET  13  41.457  -1.884  -1.027
  111    HB2  MET  13           HB2      MET  13  42.645  -3.016   0.722
  112    HB3  MET  13           HB1      MET  13  41.481  -4.142  -0.066
  113    HG2  MET  13           HG2      MET  13  43.394  -5.089  -1.442
  114    HG3  MET  13           HG1      MET  13  44.474  -3.946  -0.582
  115    HE1  MET  13           HE1      MET  13  42.318  -7.724   1.137
  116    HE2  MET  13           HE2      MET  13  42.335  -7.163  -0.570
  117    HE3  MET  13           HE3      MET  13  41.407  -6.251   0.671
  118    H    GLU  14           HN       GLU  14  42.999  -0.289  -0.401
  119    HA   GLU  14           HA       GLU  14  45.538  -0.197  -1.728
  120    HB2  GLU  14           HB2      GLU  14  44.968   1.654  -3.283
  121    HB3  GLU  14           HB1      GLU  14  43.924   0.235  -3.629
  122    HG2  GLU  14           HG2      GLU  14  42.037   1.286  -2.326
  123    HG3  GLU  14           HG1      GLU  14  43.049   2.748  -2.053
  124    H    ASP  15           HN       ASP  15  43.024   0.991   0.315
  125    HA   ASP  15           HA       ASP  15  44.552   3.323   1.092
  126    HB2  ASP  15           HB2      ASP  15  42.808   3.966   2.531
  127    HB3  ASP  15           HB1      ASP  15  42.092   3.520   0.952
  128    H    GLU  16           HN       GLU  16  44.212  -0.013   1.910
  129    HA   GLU  16           HA       GLU  16  45.333  -0.075   4.467
  130    HB2  GLU  16           HB2      GLU  16  44.297  -2.063   3.315
  131    HB3  GLU  16           HB1      GLU  16  45.620  -2.032   2.106
  132    HG2  GLU  16           HG2      GLU  16  47.287  -2.474   4.023
  133    HG3  GLU  16           HG1      GLU  16  45.879  -2.602   5.139
  134    H    PHE  17           HN       PHE  17  46.721  -0.038   1.141
  135    HA   PHE  17           HA       PHE  17  49.404  -0.122   1.811
  136    HB2  PHE  17           HB2      PHE  17  48.618  -0.550  -0.487
  137    HB3  PHE  17           HB1      PHE  17  47.929   1.090  -0.598
  138    HD1  PHE  17           HD1      PHE  17  51.137  -0.800  -0.352
  139    HD2  PHE  17           HD2      PHE  17  49.252   2.952  -1.226
  140    HE1  PHE  17           HE1      PHE  17  53.266   0.048  -1.290
  141    HE2  PHE  17           HE2      PHE  17  51.409   3.824  -2.091
  142    HZ   PHE  17           HZ       PHE  17  53.425   2.399  -2.039
  143    H    LEU  18           HN       LEU  18  47.121   2.657   1.562
  144    HA   LEU  18           HA       LEU  18  49.101   4.637   1.709
  145    HB2  LEU  18           HB2      LEU  18  46.079   4.554   2.128
  146    HB3  LEU  18           HB1      LEU  18  46.947   6.078   2.376
  147    HG   LEU  18           HG       LEU  18  47.034   4.436  -0.222
  148   HD11  LEU  18          HD11      LEU  18  44.723   5.297   0.285
  149   HD12  LEU  18          HD12      LEU  18  45.451   6.054  -1.173
  150   HD13  LEU  18          HD13      LEU  18  45.383   6.972   0.381
  151   HD21  LEU  18          HD21      LEU  18  47.934   6.528  -1.267
  152   HD22  LEU  18          HD22      LEU  18  49.039   5.886  -0.006
  153   HD23  LEU  18          HD23      LEU  18  47.995   7.313   0.355
  154    H    GLU  19           HN       GLU  19  47.635   2.678   4.241
  155    HA   GLU  19           HA       GLU  19  48.268   4.688   6.287
  156    HB2  GLU  19           HB2      GLU  19  46.865   1.987   6.429
  157    HB3  GLU  19           HB1      GLU  19  47.267   2.989   7.867
  158    HG2  GLU  19           HG2      GLU  19  45.432   3.858   5.538
  159    HG3  GLU  19           HG1      GLU  19  44.923   3.310   7.173
  160    H    TYR  20           HN       TYR  20  49.488   1.851   4.724
  161    HA   TYR  20           HA       TYR  20  51.231   0.947   6.826
  162    HB2  TYR  20           HB2      TYR  20  50.758   0.367   3.842
  163    HB3  TYR  20           HB1      TYR  20  52.171  -0.310   4.596
  164    HD1  TYR  20           HD1      TYR  20  51.841  -2.552   4.577
  165    HD2  TYR  20           HD2      TYR  20  48.861  -0.069   6.406
  166    HE1  TYR  20           HE1      TYR  20  50.722  -4.564   5.466
  167    HE2  TYR  20           HE2      TYR  20  47.740  -2.064   7.310
  168    HH   TYR  20           HH       TYR  20  48.990  -5.374   6.662
  169    H    CYS  21           HN       CYS  21  51.182   3.172   4.199
  170    HA   CYS  21           HA       CYS  21  53.917   3.118   3.672
  171    HB2  CYS  21           HB2      CYS  21  51.796   5.214   2.970
  172    HB3  CYS  21           HB1      CYS  21  53.515   5.498   2.565
  173    HG   CYS  21           HG1      CYS  21  53.931   3.398   1.214
  174    H    ALA  22           HN       ALA  22  52.157   4.470   6.259
  175    HA   ALA  22           HA       ALA  22  53.697   6.728   6.916
  176    HB1  ALA  22           HB1      ALA  22  52.501   6.569   9.108
  177    HB2  ALA  22           HB2      ALA  22  51.924   4.913   8.663
  178    HB3  ALA  22           HB3      ALA  22  51.363   6.345   7.726
  179    H    LYS  23           HN       LYS  23  54.360   3.364   7.040
  180    HA   LYS  23           HA       LYS  23  56.563   3.689   8.918
  181    HB2  LYS  23           HB2      LYS  23  55.211   1.545   9.013
  182    HB3  LYS  23           HB1      LYS  23  55.670   1.225   7.312
  183    HG2  LYS  23           HG2      LYS  23  58.128   1.240   8.066
  184    HG3  LYS  23           HG1      LYS  23  57.557   1.496   9.745
  185    HD2  LYS  23           HD2      LYS  23  58.098  -0.852   9.462
  186    HD3  LYS  23           HD1      LYS  23  56.321  -0.686   9.660
  187    HE2  LYS  23           HE2      LYS  23  56.892  -2.381   7.915
  188    HE3  LYS  23           HE1      LYS  23  56.018  -0.990   7.165
  189    HZ1  LYS  23           HZ1      LYS  23  58.958  -1.431   7.168
  190    HZ2  LYS  23           HZ2      LYS  23  58.152  -0.107   6.474
  191    HZ3  LYS  23           HZ3      LYS  23  57.895  -1.673   5.868
  192    H    ASN  24           HN       ASN  24  57.402   5.342   7.605
  193    HA   ASN  24           HA       ASN  24  58.073   5.101   4.942
  194    HB2  ASN  24           HB2      ASN  24  59.311   6.931   7.076
  195    HB3  ASN  24           HB1      ASN  24  59.580   7.082   5.310
  196   HD21  ASN  24          HD21      ASN  24  56.218   8.673   7.002
  197   HD22  ASN  24          HD22      ASN  24  57.541   8.033   7.919
  198    HA   PRO  25           HA       PRO  25  62.469   3.647   6.162
  199    HB2  PRO  25           HB2      PRO  25  62.481   1.969   8.511
  200    HB3  PRO  25           HB1      PRO  25  63.149   3.655   8.411
  201    HG2  PRO  25           HG1      PRO  25  60.385   2.750   9.360
  202    HG3  PRO  25           HG2      PRO  25  61.481   3.989  10.106
  203    HD2  PRO  25           HD1      PRO  25  59.387   4.777   8.547
  204    HD3  PRO  25           HD2      PRO  25  61.003   5.574   8.302
  205    H    SER  26           HN       SER  26  63.059   1.722   5.145
  206    HA   SER  26           HA       SER  26  62.814  -0.126   4.088
  207    HB2  SER  26           HB2      SER  26  61.250  -0.965   6.579
  208    HB3  SER  26           HB1      SER  26  61.642  -2.110   5.220
  209    HG   SER  26           HG1      SER  26  63.147  -2.162   6.882
  210    H    TYR  27           HN       TYR  27  61.670   1.538   2.770
  211    HA   TYR  27           HA       TYR  27  58.870   1.463   2.525
  212    HB2  TYR  27           HB2      TYR  27  59.109   2.959   0.734
  213    HB3  TYR  27           HB1      TYR  27  60.418   3.422   1.885
  214    HD1  TYR  27           HD1      TYR  27  59.713   3.374  -1.415
  215    HD2  TYR  27           HD2      TYR  27  62.704   1.714   1.194
  216    HE1  TYR  27           HE1      TYR  27  61.211   3.071  -3.329
  217    HE2  TYR  27           HE2      TYR  27  64.223   1.441  -0.715
  218    HH   TYR  27           HH       TYR  27  63.230   2.352  -4.049
  219    H    GLU  28           HN       GLU  28  61.506  -0.320   1.370
  220    HA   GLU  28           HA       GLU  28  60.624  -1.477  -0.969
  221    HB2  GLU  28           HB2      GLU  28  62.384  -3.305  -0.195
  222    HB3  GLU  28           HB1      GLU  28  62.930  -1.648  -0.596
  223    HG2  GLU  28           HG2      GLU  28  63.096  -0.973   1.730
  224    HG3  GLU  28           HG1      GLU  28  62.361  -2.498   2.325
  225    H    GLU  29           HN       GLU  29  59.967  -2.233   2.472
  226    HA   GLU  29           HA       GLU  29  58.895  -4.811   1.927
  227    HB2  GLU  29           HB2      GLU  29  58.604  -2.929   4.320
  228    HB3  GLU  29           HB1      GLU  29  57.942  -4.606   4.266
  229    HG2  GLU  29           HG2      GLU  29  60.197  -5.562   3.974
  230    HG3  GLU  29           HG1      GLU  29  60.933  -3.924   3.896
  231    H    ALA  30           HN       ALA  30  57.600  -1.463   1.988
  232    HA   ALA  30           HA       ALA  30  54.878  -2.362   1.907
  233    HB1  ALA  30           HB1      ALA  30  56.080   0.417   1.319
  234    HB2  ALA  30           HB2      ALA  30  55.455  -0.137   2.913
  235    HB3  ALA  30           HB3      ALA  30  54.325   0.049   1.525
  236    H    TYR  31           HN       TYR  31  57.452  -1.822  -0.448
  237    HA   TYR  31           HA       TYR  31  55.656  -1.564  -2.692
  238    HB2  TYR  31           HB2      TYR  31  57.866  -0.506  -2.926
  239    HB3  TYR  31           HB1      TYR  31  58.653  -1.906  -2.243
  240    HD1  TYR  31           HD1      TYR  31  60.258  -2.384  -3.910
  241    HD2  TYR  31           HD2      TYR  31  56.164  -1.870  -5.056
  242    HE1  TYR  31           HE1      TYR  31  60.776  -3.282  -6.150
  243    HE2  TYR  31           HE2      TYR  31  56.633  -2.857  -7.261
  244    HH   TYR  31           HH       TYR  31  59.966  -3.891  -8.161
  245    H    LEU  32           HN       LEU  32  57.964  -4.043  -1.489
  246    HA   LEU  32           HA       LEU  32  57.309  -5.842  -3.499
  247    HB2  LEU  32           HB2      LEU  32  58.780  -6.158  -0.835
  248    HB3  LEU  32           HB1      LEU  32  58.760  -7.427  -2.097
  249    HG   LEU  32           HG       LEU  32  59.742  -4.542  -2.614
  250   HD11  LEU  32          HD11      LEU  32  61.109  -5.566  -0.774
  251   HD12  LEU  32          HD12      LEU  32  62.066  -5.358  -2.287
  252   HD13  LEU  32          HD13      LEU  32  61.457  -6.992  -1.821
  253   HD21  LEU  32          HD21      LEU  32  60.230  -7.171  -4.163
  254   HD22  LEU  32          HD22      LEU  32  60.952  -5.562  -4.545
  255   HD23  LEU  32          HD23      LEU  32  59.174  -5.802  -4.679
  256    H    LYS  33           HN       LYS  33  55.973  -5.478  -0.254
  257    HA   LYS  33           HA       LYS  33  54.798  -8.031  -0.024
  258    HB2  LYS  33           HB2      LYS  33  55.054  -6.438   1.933
  259    HB3  LYS  33           HB1      LYS  33  53.889  -5.344   1.173
  260    HG2  LYS  33           HG2      LYS  33  52.681  -8.020   1.405
  261    HG3  LYS  33           HG1      LYS  33  53.402  -7.549   2.977
  262    HD2  LYS  33           HD2      LYS  33  52.157  -5.433   2.994
  263    HD3  LYS  33           HD1      LYS  33  51.561  -5.744   1.318
  264    HE2  LYS  33           HE2      LYS  33  50.157  -7.581   2.039
  265    HE3  LYS  33           HE1      LYS  33  50.810  -7.515   3.737
  266    HZ1  LYS  33           HZ1      LYS  33  48.680  -6.445   3.521
  267    HZ2  LYS  33           HZ2      LYS  33  49.276  -5.382   2.339
  268    HZ3  LYS  33           HZ3      LYS  33  49.875  -5.309   3.926
  269    H    PHE  34           HN       PHE  34  53.599  -4.848  -1.187
  270    HA   PHE  34           HA       PHE  34  51.021  -5.854  -1.934
  271    HB2  PHE  34           HB2      PHE  34  52.454  -3.138  -2.230
  272    HB3  PHE  34           HB1      PHE  34  50.829  -3.439  -2.916
  273    HD1  PHE  34           HD1      PHE  34  52.786  -3.449   0.261
  274    HD2  PHE  34           HD2      PHE  34  48.873  -3.421  -1.499
  275    HE1  PHE  34           HE1      PHE  34  51.829  -2.987   2.451
  276    HE2  PHE  34           HE2      PHE  34  47.896  -2.910   0.720
  277    HZ   PHE  34           HZ       PHE  34  49.383  -2.629   2.703
  278    H    GLY  35           HN       GLY  35  53.096  -3.818  -4.003
  279    HA2  GLY  35           HA2      GLY  35  54.399  -5.422  -5.542
  280    HA3  GLY  35           HA1      GLY  35  52.743  -5.562  -6.272
  281    H    ASP  36           HN       ASP  36  52.467  -4.222  -7.938
  282    HA   ASP  36           HA       ASP  36  54.187  -2.036  -8.368
  283    HB2  ASP  36           HB2      ASP  36  51.622  -2.854  -9.846
  284    HB3  ASP  36           HB1      ASP  36  52.803  -1.621 -10.419
  285    H    LYS  37           HN       LYS  37  51.752  -2.208  -6.202
  286    HA   LYS  37           HA       LYS  37  50.143  -0.014  -6.542
  287    HB2  LYS  37           HB2      LYS  37  49.849  -1.969  -4.943
  288    HB3  LYS  37           HB1      LYS  37  51.153  -1.262  -3.963
  289    HG2  LYS  37           HG2      LYS  37  49.245  -0.621  -2.870
  290    HG3  LYS  37           HG1      LYS  37  49.629   0.879  -3.770
  291    HD2  LYS  37           HD2      LYS  37  47.532  -1.252  -4.592
  292    HD3  LYS  37           HD1      LYS  37  47.192   0.197  -3.585
  293    HE2  LYS  37           HE2      LYS  37  47.921   1.690  -5.505
  294    HE3  LYS  37           HE1      LYS  37  48.072   0.214  -6.543
  295    HZ1  LYS  37           HZ1      LYS  37  45.757  -0.254  -6.130
  296    HZ2  LYS  37           HZ2      LYS  37  45.969   1.280  -6.825
  297    HZ3  LYS  37           HZ3      LYS  37  45.606   1.140  -5.172
  298    H    LEU  38           HN       LEU  38  53.386  -0.352  -5.014
  299    HA   LEU  38           HA       LEU  38  53.418   2.381  -4.111
  300    HB2  LEU  38           HB2      LEU  38  54.707   0.452  -2.911
  301    HB3  LEU  38           HB1      LEU  38  55.736   0.338  -4.296
  302    HG   LEU  38           HG       LEU  38  55.491   3.103  -3.119
  303   HD11  LEU  38          HD11      LEU  38  56.956   2.663  -1.178
  304   HD12  LEU  38          HD12      LEU  38  56.911   0.895  -1.513
  305   HD13  LEU  38          HD13      LEU  38  55.406   1.756  -1.032
  306   HD21  LEU  38          HD21      LEU  38  57.110   2.607  -4.940
  307   HD22  LEU  38          HD22      LEU  38  57.917   1.369  -3.905
  308   HD23  LEU  38          HD23      LEU  38  57.968   3.115  -3.435
  309    H    LEU  39           HN       LEU  39  54.466   0.663  -7.037
  310    HA   LEU  39           HA       LEU  39  56.207   2.685  -7.908
  311    HB2  LEU  39           HB2      LEU  39  54.646   0.627  -9.552
  312    HB3  LEU  39           HB1      LEU  39  56.018   1.620 -10.143
  313    HG   LEU  39           HG       LEU  39  56.098  -0.512  -7.922
  314   HD11  LEU  39          HD11      LEU  39  57.457  -1.816  -9.545
  315   HD12  LEU  39          HD12      LEU  39  57.281  -0.497 -10.765
  316   HD13  LEU  39          HD13      LEU  39  55.831  -1.421 -10.219
  317   HD21  LEU  39          HD21      LEU  39  58.599  -0.249  -7.983
  318   HD22  LEU  39          HD22      LEU  39  57.776   1.221  -7.361
  319   HD23  LEU  39          HD23      LEU  39  58.414   1.192  -9.050
  320    H    GLU  40           HN       GLU  40  52.737   2.008  -8.621
  321    HA   GLU  40           HA       GLU  40  52.509   4.111 -10.490
  322    HB2  GLU  40           HB2      GLU  40  50.062   3.706 -10.340
  323    HB3  GLU  40           HB1      GLU  40  51.006   2.200 -10.649
  324    HG2  GLU  40           HG2      GLU  40  50.811   1.679  -8.157
  325    HG3  GLU  40           HG1      GLU  40  49.769   3.106  -7.961
  326    H    TYR  41           HN       TYR  41  51.914   3.901  -6.965
  327    HA   TYR  41           HA       TYR  41  50.502   6.394  -6.844
  328    HB2  TYR  41           HB2      TYR  41  51.581   4.294  -4.890
  329    HB3  TYR  41           HB1      TYR  41  51.236   5.884  -4.230
  330    HD1  TYR  41           HD1      TYR  41  49.606   4.899  -2.760
  331    HD2  TYR  41           HD2      TYR  41  48.956   4.832  -7.030
  332    HE1  TYR  41           HE1      TYR  41  47.234   4.356  -2.415
  333    HE2  TYR  41           HE2      TYR  41  46.604   4.360  -6.664
  334    HH   TYR  41           HH       TYR  41  45.236   3.982  -3.364
  335    H    GLU  42           HN       GLU  42  53.805   5.440  -6.983
  336    HA   GLU  42           HA       GLU  42  54.868   7.834  -5.777
  337    HB2  GLU  42           HB2      GLU  42  56.079   5.651  -5.773
  338    HB3  GLU  42           HB1      GLU  42  56.211   5.729  -7.564
  339    HG2  GLU  42           HG2      GLU  42  57.592   7.872  -7.293
  340    HG3  GLU  42           HG1      GLU  42  57.476   7.664  -5.503
  341    H    LEU  43           HN       LEU  43  54.236   6.546  -9.053
  342    HA   LEU  43           HA       LEU  43  55.269   8.772 -10.463
  343    HB2  LEU  43           HB2      LEU  43  53.382   6.458 -11.176
  344    HB3  LEU  43           HB1      LEU  43  53.904   7.656 -12.398
  345    HG   LEU  43           HG       LEU  43  55.856   5.925 -10.775
  346   HD11  LEU  43          HD11      LEU  43  54.755   5.422 -13.611
  347   HD12  LEU  43          HD12      LEU  43  54.369   4.467 -12.129
  348   HD13  LEU  43          HD13      LEU  43  56.049   4.475 -12.782
  349   HD21  LEU  43          HD21      LEU  43  56.912   7.978 -11.691
  350   HD22  LEU  43          HD22      LEU  43  56.273   7.595 -13.334
  351   HD23  LEU  43          HD23      LEU  43  57.495   6.517 -12.562
  352    H    LEU  44           HN       LEU  44  52.255   8.092  -8.833
  353    HA   LEU  44           HA       LEU  44  50.645   9.873 -10.359
  354    HB2  LEU  44           HB2      LEU  44  49.688   7.866  -9.444
  355    HB3  LEU  44           HB1      LEU  44  50.240   8.303  -7.803
  356    HG   LEU  44           HG       LEU  44  48.608  10.029  -7.591
  357   HD11  LEU  44          HD11      LEU  44  48.605  11.053  -9.870
  358   HD12  LEU  44          HD12      LEU  44  46.931  10.609  -9.388
  359   HD13  LEU  44          HD13      LEU  44  47.835   9.571 -10.554
  360   HD21  LEU  44          HD21      LEU  44  47.863   7.673  -7.220
  361   HD22  LEU  44          HD22      LEU  44  47.274   7.587  -8.920
  362   HD23  LEU  44          HD23      LEU  44  46.502   8.731  -7.758
  363    H    GLY  45           HN       GLY  45  51.316   9.869  -6.774
  364    HA2  GLY  45           HA2      GLY  45  52.810  11.738  -6.154
  365    HA3  GLY  45           HA1      GLY  45  51.558  12.800  -6.921
  366    H    LYS  46           HN       LYS  46  51.440   9.864  -4.847
  367    HA   LYS  46           HA       LYS  46  49.693  11.304  -2.964
  368    HB2  LYS  46           HB2      LYS  46  49.954   8.306  -3.484
  369    HB3  LYS  46           HB1      LYS  46  48.878   9.079  -2.269
  370    HG2  LYS  46           HG2      LYS  46  47.760  10.339  -4.222
  371    HG3  LYS  46           HG1      LYS  46  48.770   9.358  -5.337
  372    HD2  LYS  46           HD2      LYS  46  46.653   8.338  -5.326
  373    HD3  LYS  46           HD1      LYS  46  47.701   7.260  -4.340
  374    HE2  LYS  46           HE2      LYS  46  46.644   8.160  -2.243
  375    HE3  LYS  46           HE1      LYS  46  45.712   9.368  -3.218
  376    HZ1  LYS  46           HZ1      LYS  46  44.400   7.456  -2.643
  377    HZ2  LYS  46           HZ2      LYS  46  45.483   6.413  -3.432
  378    HZ3  LYS  46           HZ3      LYS  46  44.606   7.559  -4.325
  379    H    ILE  47           HN       ILE  47  52.274   8.935  -3.488
  380    HA   ILE  47           HA       ILE  47  53.663   9.686  -1.000
  381    HB   ILE  47           HB       ILE  47  54.898   7.559  -1.379
  382   HG12  ILE  47          HG12      ILE  47  52.569   7.054  -3.356
  383   HG13  ILE  47          HG11      ILE  47  54.279   7.324  -3.822
  384   HG21  ILE  47          HG21      ILE  47  53.191   6.176  -0.329
  385   HG22  ILE  47          HG22      ILE  47  51.862   7.244  -0.914
  386   HG23  ILE  47          HG23      ILE  47  53.047   7.854   0.311
  387   HD11  ILE  47           HD1      ILE  47  54.953   5.355  -2.584
  388   HD12  ILE  47           HD2      ILE  47  53.771   4.923  -3.872
  389   HD13  ILE  47           HD3      ILE  47  53.257   4.954  -2.142
  390    H    LYS  48           HN       LYS  48  56.124   9.647  -1.450
  391    HA   LYS  48           HA       LYS  48  56.812   9.766  -4.264
  392    HB2  LYS  48           HB2      LYS  48  57.895  11.837  -2.238
  393    HB3  LYS  48           HB1      LYS  48  58.322  11.748  -3.977
  394    HG2  LYS  48           HG2      LYS  48  55.993  12.391  -4.592
  395    HG3  LYS  48           HG1      LYS  48  55.549  12.500  -2.856
  396    HD2  LYS  48           HD2      LYS  48  57.662  14.210  -4.308
  397    HD3  LYS  48           HD1      LYS  48  56.002  14.730  -3.858
  398    HE2  LYS  48           HE2      LYS  48  58.287  14.008  -1.891
  399    HE3  LYS  48           HE1      LYS  48  57.645  15.656  -2.257
  400    HZ1  LYS  48           HZ1      LYS  48  56.121  13.422  -1.027
  401    HZ2  LYS  48           HZ2      LYS  48  55.525  14.976  -1.366
  402    HZ3  LYS  48           HZ3      LYS  48  56.766  14.773  -0.224
  403    H    ARG  49           HN       ARG  49  59.197   9.479  -4.525
  404    HA   ARG  49           HA       ARG  49  60.669   8.748  -2.157
  405    HB2  ARG  49           HB2      ARG  49  59.659   6.558  -2.775
  406    HB3  ARG  49           HB1      ARG  49  60.323   6.707  -4.433
  407    HG2  ARG  49           HG2      ARG  49  62.262   6.950  -2.101
  408    HG3  ARG  49           HG1      ARG  49  61.517   5.352  -2.393
  409    HD2  ARG  49           HD2      ARG  49  62.392   5.308  -4.734
  410    HD3  ARG  49           HD1      ARG  49  63.104   6.960  -4.505
  411    HE   ARG  49           HE       ARG  49  63.902   4.819  -2.562
  412   HH11  ARG  49          HH11      ARG  49  66.141   4.206  -2.558
  413   HH12  ARG  49          HH12      ARG  49  67.221   4.818  -3.766
  414   HH21  ARG  49          HH21      ARG  49  64.762   6.741  -5.462
  415   HH22  ARG  49          HH22      ARG  49  66.429   6.275  -5.432
  416    H    ILE  50           HN       ILE  50  62.873   9.296  -2.537
  417    HA   ILE  50           HA       ILE  50  63.772   9.661  -5.210
  418    HB   ILE  50           HB       ILE  50  62.550  11.743  -5.048
  419   HG12  ILE  50          HG12      ILE  50  64.343  13.425  -5.328
  420   HG13  ILE  50          HG11      ILE  50  65.566  12.274  -4.709
  421   HG21  ILE  50          HG21      ILE  50  62.929  13.417  -3.296
  422   HG22  ILE  50          HG22      ILE  50  64.102  12.349  -2.454
  423   HG23  ILE  50          HG23      ILE  50  62.362  11.879  -2.560
  424   HD11  ILE  50           HD1      ILE  50  65.537  12.410  -7.225
  425   HD12  ILE  50           HD2      ILE  50  63.822  11.856  -7.236
  426   HD13  ILE  50           HD3      ILE  50  65.129  10.750  -6.663
  427    H    ASN  51           HN       ASN  51  64.181  10.022  -1.680
  428    HA   ASN  51           HA       ASN  51  66.995  10.345  -1.894
  429    HB2  ASN  51           HB2      ASN  51  65.616  11.467  -0.134
  430    HB3  ASN  51           HB1      ASN  51  65.200   9.880   0.575
  431   HD21  ASN  51          HD21      ASN  51  68.101   9.916   2.624
  432   HD22  ASN  51          HD22      ASN  51  66.464   9.413   2.362
  433    H    HIS  52           HN       HIS  52  65.455   8.014   0.343
  434    HA   HIS  52           HA       HIS  52  66.919   5.810  -0.920
  435    HB2  HIS  52           HB2      HIS  52  68.291   6.631   1.033
  436    HB3  HIS  52           HB1      HIS  52  66.849   6.490   2.089
  437    HD1  HIS  52           HD1      HIS  52  68.744   4.140  -0.304
  438    HD2  HIS  52           HD2      HIS  52  66.872   4.082   3.453
  439    HE1  HIS  52           HE1      HIS  52  69.007   1.801   0.634
  440    HE2  HIS  52           HE2      HIS  52  67.858   1.806   2.891
  441    H    ILE  53           HN       ILE  53  64.372   7.140   1.199
  442    HA   ILE  53           HA       ILE  53  62.846   4.641   0.941
  443    HB   ILE  53           HB       ILE  53  61.884   5.078   3.139
  444   HG12  ILE  53          HG12      ILE  53  64.192   7.098   3.528
  445   HG13  ILE  53          HG11      ILE  53  62.485   7.568   3.205
  446   HG21  ILE  53          HG21      ILE  53  63.697   3.410   2.709
  447   HG22  ILE  53          HG22      ILE  53  63.779   4.093   4.368
  448   HG23  ILE  53          HG23      ILE  53  64.937   4.658   3.111
  449   HD11  ILE  53           HD1      ILE  53  61.754   6.228   5.186
  450   HD12  ILE  53           HD2      ILE  53  62.800   7.644   5.612
  451   HD13  ILE  53           HD3      ILE  53  63.482   5.972   5.642
  452    H    VAL  54           HN       VAL  54  60.485   5.168   1.556
  453    HA   VAL  54           HA       VAL  54  59.604   7.163  -0.266
  454    HB   VAL  54           HB       VAL  54  58.614   4.850   0.032
  455   HG11  VAL  54          HG11      VAL  54  57.277   6.048   2.552
  456   HG12  VAL  54          HG12      VAL  54  58.621   4.845   2.574
  457   HG13  VAL  54          HG13      VAL  54  57.030   4.413   1.850
  458   HG21  VAL  54          HG21      VAL  54  56.654   7.207   0.236
  459   HG22  VAL  54          HG22      VAL  54  56.275   5.544  -0.330
  460   HG23  VAL  54          HG23      VAL  54  57.430   6.555  -1.263
  461    H    VAL  55           HN       VAL  55  58.283   8.996   0.344
  462    HA   VAL  55           HA       VAL  55  58.096   9.585   3.207
  463    HB   VAL  55           HB       VAL  55  58.163  12.015   2.656
  464   HG11  VAL  55          HG11      VAL  55  60.734  10.444   1.955
  465   HG12  VAL  55          HG12      VAL  55  60.131  10.803   3.617
  466   HG13  VAL  55          HG13      VAL  55  60.640  12.148   2.531
  467   HG21  VAL  55          HG21      VAL  55  59.173  12.755   0.489
  468   HG22  VAL  55          HG22      VAL  55  57.629  11.889   0.198
  469   HG23  VAL  55          HG23      VAL  55  59.203  11.061  -0.110
  470    H    LEU  56           HN       LEU  56  56.050  10.621   3.703
  471    HA   LEU  56           HA       LEU  56  53.977  10.108   1.714
  472    HB2  LEU  56           HB2      LEU  56  53.860  11.331   4.528
  473    HB3  LEU  56           HB1      LEU  56  52.430  11.061   3.479
  474    HG   LEU  56           HG       LEU  56  54.255   8.785   4.441
  475   HD11  LEU  56          HD11      LEU  56  52.484   8.358   6.187
  476   HD12  LEU  56          HD12      LEU  56  51.662   9.887   5.711
  477   HD13  LEU  56          HD13      LEU  56  53.316   9.938   6.428
  478   HD21  LEU  56          HD21      LEU  56  52.897   8.142   2.493
  479   HD22  LEU  56          HD22      LEU  56  51.402   8.788   3.274
  480   HD23  LEU  56          HD23      LEU  56  52.243   7.362   3.984
  481    H    ALA  57           HN       ALA  57  52.682  11.892   0.912
  482    HA   ALA  57           HA       ALA  57  54.107  14.246   0.354
  483    HB1  ALA  57           HB1      ALA  57  51.095  13.694   0.108
  484    HB2  ALA  57           HB2      ALA  57  52.336  13.421  -1.169
  485    HB3  ALA  57           HB3      ALA  57  51.969  15.095  -0.625
  486    H    HIS  58           HN       HIS  58  51.609  13.426   2.814
  487    HA   HIS  58           HA       HIS  58  52.203  15.993   4.138
  488    HB2  HIS  58           HB2      HIS  58  49.536  14.448   4.137
  489    HB3  HIS  58           HB1      HIS  58  49.918  15.893   5.139
  490    HD1  HIS  58           HD1      HIS  58  49.453  14.934   1.474
  491    HD2  HIS  58           HD2      HIS  58  49.544  18.351   3.909
  492    HE1  HIS  58           HE1      HIS  58  48.733  16.898   0.044
  493    HE2  HIS  58           HE2      HIS  58  48.807  18.936   1.547
  494    H    HIS  59           HN       HIS  59  52.737  15.825   6.279
  495    HA   HIS  59           HA       HIS  59  52.449  13.195   7.569
  496    HB2  HIS  59           HB2      HIS  59  54.726  15.233   7.890
  497    HB3  HIS  59           HB1      HIS  59  54.465  13.812   8.962
  498    HD1  HIS  59           HD1      HIS  59  54.618  11.417   7.680
  499    HD2  HIS  59           HD2      HIS  59  56.256  14.692   5.629
  500    HE1  HIS  59           HE1      HIS  59  56.165  10.493   5.897
  501    HE2  HIS  59           HE2      HIS  59  57.130  12.499   4.685
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  26.241 -13.092   1.339
    2    H2   MET   1           HT2      MET   1  25.579 -12.534   2.800
    3    H3   MET   1           HT3      MET   1  26.725 -13.789   2.811
    4    HA   MET   1           HA       MET   1  27.675 -11.738   3.511
    5    HB2  MET   1           HB2      MET   1  29.049 -13.450   2.256
    6    HB3  MET   1           HB1      MET   1  28.667 -12.621   0.717
    7    HG2  MET   1           HG2      MET   1  30.923 -12.068   1.471
    8    HG3  MET   1           HG1      MET   1  29.906 -10.600   1.489
    9    HE1  MET   1           HE1      MET   1  31.615  -9.300   2.796
   10    HE2  MET   1           HE2      MET   1  32.701 -10.732   2.747
   11    HE3  MET   1           HE3      MET   1  32.437  -9.855   4.294
   12    H    LEU   2           HN       LEU   2  27.883 -11.114   0.009
   13    HA   LEU   2           HA       LEU   2  25.935  -9.029   0.073
   14    HB2  LEU   2           HB2      LEU   2  28.278  -8.078   0.955
   15    HB3  LEU   2           HB1      LEU   2  28.833  -8.310  -0.725
   16    HG   LEU   2           HG       LEU   2  26.960  -6.729  -1.469
   17   HD11  LEU   2          HD11      LEU   2  26.594  -6.333   1.571
   18   HD12  LEU   2          HD12      LEU   2  25.377  -7.009   0.427
   19   HD13  LEU   2          HD13      LEU   2  25.876  -5.285   0.287
   20   HD21  LEU   2          HD21      LEU   2  29.291  -5.936  -1.156
   21   HD22  LEU   2          HD22      LEU   2  28.955  -5.587   0.582
   22   HD23  LEU   2          HD23      LEU   2  28.097  -4.660  -0.707
   23    H    LYS   3           HN       LYS   3  25.964  -8.102  -2.339
   24    HA   LYS   3           HA       LYS   3  26.184 -10.405  -4.084
   25    HB2  LYS   3           HB2      LYS   3  24.200  -8.790  -3.983
   26    HB3  LYS   3           HB1      LYS   3  25.211  -7.615  -4.862
   27    HG2  LYS   3           HG2      LYS   3  24.575 -10.513  -5.764
   28    HG3  LYS   3           HG1      LYS   3  23.569  -9.096  -6.202
   29    HD2  LYS   3           HD2      LYS   3  26.502  -9.503  -7.105
   30    HD3  LYS   3           HD1      LYS   3  25.022  -9.879  -8.027
   31    HE2  LYS   3           HE2      LYS   3  25.564  -7.797  -8.908
   32    HE3  LYS   3           HE1      LYS   3  24.344  -7.359  -7.646
   33    HZ1  LYS   3           HZ1      LYS   3  27.306  -7.207  -7.387
   34    HZ2  LYS   3           HZ2      LYS   3  26.181  -6.800  -6.183
   35    HZ3  LYS   3           HZ3      LYS   3  26.241  -5.906  -7.626
   36    H    ASP   4           HN       ASP   4  28.120 -10.819  -4.958
   37    HA   ASP   4           HA       ASP   4  29.782  -8.580  -5.883
   38    HB2  ASP   4           HB2      ASP   4  30.750 -11.224  -4.605
   39    HB3  ASP   4           HB1      ASP   4  31.816  -9.960  -5.329
   40    H    TYR   5           HN       TYR   5  31.355  -9.532  -7.590
   41    HA   TYR   5           HA       TYR   5  29.819 -11.342  -9.339
   42    HB2  TYR   5           HB2      TYR   5  31.911  -9.254 -10.073
   43    HB3  TYR   5           HB1      TYR   5  30.986 -10.289 -11.233
   44    HD1  TYR   5           HD1      TYR   5  31.103  -7.118  -9.652
   45    HD2  TYR   5           HD2      TYR   5  28.340 -10.141 -10.967
   46    HE1  TYR   5           HE1      TYR   5  29.324  -5.419  -9.811
   47    HE2  TYR   5           HE2      TYR   5  26.564  -8.444 -11.142
   48    HH   TYR   5           HH       TYR   5  26.014  -6.269 -10.926
   49    H    HIS   6           HN       HIS   6  32.637 -11.070 -10.721
   50    HA   HIS   6           HA       HIS   6  33.802 -13.483  -9.745
   51    HB2  HIS   6           HB2      HIS   6  33.851 -12.611 -12.161
   52    HB3  HIS   6           HB1      HIS   6  34.964 -11.327 -11.630
   53    HD1  HIS   6           HD1      HIS   6  34.853 -15.170 -11.449
   54    HD2  HIS   6           HD2      HIS   6  37.624 -12.048 -11.891
   55    HE1  HIS   6           HE1      HIS   6  37.131 -16.226 -11.786
   56    HE2  HIS   6           HE2      HIS   6  38.772 -14.312 -12.042
   57    H    LEU   7           HN       LEU   7  34.095 -10.059  -9.298
   58    HA   LEU   7           HA       LEU   7  36.637  -9.745  -8.287
   59    HB2  LEU   7           HB2      LEU   7  34.073  -8.179  -7.625
   60    HB3  LEU   7           HB1      LEU   7  35.705  -7.725  -7.032
   61    HG   LEU   7           HG       LEU   7  36.489  -7.585  -9.444
   62   HD11  LEU   7          HD11      LEU   7  33.461  -7.582 -10.060
   63   HD12  LEU   7          HD12      LEU   7  34.681  -8.760 -10.682
   64   HD13  LEU   7          HD13      LEU   7  34.758  -7.040 -11.188
   65   HD21  LEU   7          HD21      LEU   7  36.052  -5.619  -7.992
   66   HD22  LEU   7          HD22      LEU   7  34.318  -5.615  -8.489
   67   HD23  LEU   7          HD23      LEU   7  35.608  -5.273  -9.705
   68    H    LYS   8           HN       LYS   8  37.614 -10.011  -6.359
   69    HA   LYS   8           HA       LYS   8  36.076 -11.345  -4.236
   70    HB2  LYS   8           HB2      LYS   8  37.646 -12.871  -5.401
   71    HB3  LYS   8           HB1      LYS   8  38.982 -11.704  -5.188
   72    HG2  LYS   8           HG2      LYS   8  38.780 -11.989  -2.677
   73    HG3  LYS   8           HG1      LYS   8  37.499 -13.222  -2.941
   74    HD2  LYS   8           HD2      LYS   8  39.089 -14.670  -4.150
   75    HD3  LYS   8           HD1      LYS   8  40.358 -13.400  -4.098
   76    HE2  LYS   8           HE2      LYS   8  39.171 -14.797  -1.600
   77    HE3  LYS   8           HE1      LYS   8  40.744 -15.216  -2.392
   78    HZ1  LYS   8           HZ1      LYS   8  41.508 -12.985  -1.946
   79    HZ2  LYS   8           HZ2      LYS   8  41.043 -13.775  -0.516
   80    HZ3  LYS   8           HZ3      LYS   8  40.036 -12.588  -1.198
   81    H    GLU   9           HN       GLU   9  39.351  -9.794  -4.586
   82    HA   GLU   9           HA       GLU   9  38.847  -8.455  -2.050
   83    HB2  GLU   9           HB2      GLU   9  41.335  -8.356  -1.868
   84    HB3  GLU   9           HB1      GLU   9  40.673 -10.024  -1.914
   85    HG2  GLU   9           HG2      GLU   9  41.276 -10.235  -4.338
   86    HG3  GLU   9           HG1      GLU   9  41.941  -8.560  -4.318
   87    H    MET  10           HN       MET  10  39.788  -6.303  -1.810
   88    HA   MET  10           HA       MET  10  39.921  -4.823  -4.350
   89    HB2  MET  10           HB2      MET  10  38.699  -3.954  -1.686
   90    HB3  MET  10           HB1      MET  10  39.090  -2.850  -3.046
   91    HG2  MET  10           HG2      MET  10  36.805  -3.235  -3.292
   92    HG3  MET  10           HG1      MET  10  37.615  -4.218  -4.551
   93    HE1  MET  10           HE1      MET  10  37.089  -5.030  -0.607
   94    HE2  MET  10           HE2      MET  10  35.478  -5.813  -0.691
   95    HE3  MET  10           HE3      MET  10  35.660  -4.092  -1.171
   96    HA   PRO  11           HA       PRO  11  43.788  -3.812  -2.120
   97    HB2  PRO  11           HB2      PRO  11  45.527  -3.969  -4.257
   98    HB3  PRO  11           HB1      PRO  11  44.935  -5.439  -3.407
   99    HG2  PRO  11           HG1      PRO  11  43.811  -4.232  -5.991
  100    HG3  PRO  11           HG2      PRO  11  44.308  -5.949  -5.678
  101    HD2  PRO  11           HD1      PRO  11  41.669  -5.083  -5.436
  102    HD3  PRO  11           HD2      PRO  11  42.340  -6.350  -4.339
  103    H    GLU  12           HN       GLU  12  41.946  -1.943  -2.330
  104    HA   GLU  12           HA       GLU  12  43.005   0.187  -4.053
  105    HB2  GLU  12           HB2      GLU  12  40.691  -0.842  -4.652
  106    HB3  GLU  12           HB1      GLU  12  40.093  -0.119  -3.140
  107    HG2  GLU  12           HG2      GLU  12  39.559   1.287  -5.127
  108    HG3  GLU  12           HG1      GLU  12  40.684   2.184  -4.052
  109    H    MET  13           HN       MET  13  40.816   1.572  -2.295
  110    HA   MET  13           HA       MET  13  40.749   3.015  -0.726
  111    HB2  MET  13           HB2      MET  13  41.990   0.753   0.761
  112    HB3  MET  13           HB1      MET  13  41.336   2.228   1.591
  113    HG2  MET  13           HG2      MET  13  39.784   0.203  -0.135
  114    HG3  MET  13           HG1      MET  13  39.764   0.407   1.636
  115    HE1  MET  13           HE1      MET  13  37.786   0.772  -1.351
  116    HE2  MET  13           HE2      MET  13  38.856   2.129  -1.845
  117    HE3  MET  13           HE3      MET  13  37.132   2.442  -1.458
  118    H    GLU  14           HN       GLU  14  42.542   3.697   1.486
  119    HA   GLU  14           HA       GLU  14  45.089   4.194   0.318
  120    HB2  GLU  14           HB2      GLU  14  44.987   6.644   0.271
  121    HB3  GLU  14           HB1      GLU  14  43.779   5.969  -0.867
  122    HG2  GLU  14           HG2      GLU  14  41.936   6.433   0.770
  123    HG3  GLU  14           HG1      GLU  14  43.133   7.100   1.941
  124    H    ASP  15           HN       ASP  15  42.660   4.649   2.821
  125    HA   ASP  15           HA       ASP  15  44.636   5.551   4.699
  126    HB2  ASP  15           HB2      ASP  15  43.002   5.688   6.371
  127    HB3  ASP  15           HB1      ASP  15  42.379   6.477   4.887
  128    H    GLU  16           HN       GLU  16  43.151   2.586   3.618
  129    HA   GLU  16           HA       GLU  16  43.964   0.817   5.606
  130    HB2  GLU  16           HB2      GLU  16  42.342   0.284   3.723
  131    HB3  GLU  16           HB1      GLU  16  43.684   0.457   2.558
  132    HG2  GLU  16           HG2      GLU  16  43.365  -1.871   2.798
  133    HG3  GLU  16           HG1      GLU  16  44.851  -1.543   3.748
  134    H    PHE  17           HN       PHE  17  45.545   2.120   2.640
  135    HA   PHE  17           HA       PHE  17  47.947   0.691   2.910
  136    HB2  PHE  17           HB2      PHE  17  47.221   1.672   0.744
  137    HB3  PHE  17           HB1      PHE  17  47.241   3.313   1.451
  138    HD1  PHE  17           HD1      PHE  17  49.242   4.581   1.477
  139    HD2  PHE  17           HD2      PHE  17  49.428   0.386   0.597
  140    HE1  PHE  17           HE1      PHE  17  51.643   4.800   0.899
  141    HE2  PHE  17           HE2      PHE  17  51.811   0.625  -0.056
  142    HZ   PHE  17           HZ       PHE  17  52.942   2.802   0.230
  143    H    LEU  18           HN       LEU  18  46.813   3.867   4.177
  144    HA   LEU  18           HA       LEU  18  49.333   4.768   4.969
  145    HB2  LEU  18           HB2      LEU  18  46.457   5.521   5.490
  146    HB3  LEU  18           HB1      LEU  18  47.650   6.299   6.524
  147    HG   LEU  18           HG       LEU  18  47.765   6.325   3.453
  148   HD11  LEU  18          HD11      LEU  18  46.692   8.514   5.342
  149   HD12  LEU  18          HD12      LEU  18  45.713   7.488   4.226
  150   HD13  LEU  18          HD13      LEU  18  46.907   8.659   3.556
  151   HD21  LEU  18          HD21      LEU  18  50.000   6.728   4.473
  152   HD22  LEU  18          HD22      LEU  18  49.307   8.025   5.517
  153   HD23  LEU  18          HD23      LEU  18  49.359   8.231   3.726
  154    H    GLU  19           HN       GLU  19  47.197   2.448   6.546
  155    HA   GLU  19           HA       GLU  19  48.427   3.008   9.159
  156    HB2  GLU  19           HB2      GLU  19  46.133   1.185   8.330
  157    HB3  GLU  19           HB1      GLU  19  46.823   1.249   9.989
  158    HG2  GLU  19           HG2      GLU  19  45.502   3.615   8.502
  159    HG3  GLU  19           HG1      GLU  19  44.784   2.621   9.817
  160    H    TYR  20           HN       TYR  20  48.639   0.989   6.372
  161    HA   TYR  20           HA       TYR  20  49.918  -1.274   7.626
  162    HB2  TYR  20           HB2      TYR  20  49.320  -0.276   4.779
  163    HB3  TYR  20           HB1      TYR  20  50.418  -1.610   4.964
  164    HD1  TYR  20           HD1      TYR  20  47.291  -1.135   7.052
  165    HD2  TYR  20           HD2      TYR  20  49.417  -3.460   4.143
  166    HE1  TYR  20           HE1      TYR  20  45.545  -2.865   7.169
  167    HE2  TYR  20           HE2      TYR  20  47.651  -5.184   4.216
  168    HH   TYR  20           HH       TYR  20  44.779  -4.819   6.351
  169    H    CYS  21           HN       CYS  21  50.664   1.823   6.371
  170    HA   CYS  21           HA       CYS  21  53.193   1.242   5.379
  171    HB2  CYS  21           HB2      CYS  21  52.118   3.942   6.416
  172    HB3  CYS  21           HB1      CYS  21  53.748   3.776   5.701
  173    HG   CYS  21           HG1      CYS  21  52.243   4.878   3.994
  174    H    ALA  22           HN       ALA  22  51.967   1.782   8.585
  175    HA   ALA  22           HA       ALA  22  54.257   2.592   9.967
  176    HB1  ALA  22           HB1      ALA  22  52.930   1.943  11.993
  177    HB2  ALA  22           HB2      ALA  22  51.756   1.067  10.932
  178    HB3  ALA  22           HB3      ALA  22  51.910   2.855  10.821
  179    H    LYS  23           HN       LYS  23  53.410  -0.415   8.533
  180    HA   LYS  23           HA       LYS  23  55.292  -1.962  10.130
  181    HB2  LYS  23           HB2      LYS  23  53.038  -2.857   9.412
  182    HB3  LYS  23           HB1      LYS  23  53.674  -2.949   7.750
  183    HG2  LYS  23           HG2      LYS  23  55.174  -4.133  10.186
  184    HG3  LYS  23           HG1      LYS  23  53.774  -4.977   9.491
  185    HD2  LYS  23           HD2      LYS  23  56.353  -4.266   7.977
  186    HD3  LYS  23           HD1      LYS  23  55.968  -5.868   8.692
  187    HE2  LYS  23           HE2      LYS  23  53.977  -6.084   7.149
  188    HE3  LYS  23           HE1      LYS  23  54.421  -4.508   6.373
  189    HZ1  LYS  23           HZ1      LYS  23  55.241  -6.376   5.145
  190    HZ2  LYS  23           HZ2      LYS  23  56.116  -6.944   6.483
  191    HZ3  LYS  23           HZ3      LYS  23  56.533  -5.464   5.763
  192    H    ASN  24           HN       ASN  24  56.914  -0.387   9.541
  193    HA   ASN  24           HA       ASN  24  57.615   0.258   6.963
  194    HB2  ASN  24           HB2      ASN  24  59.336   0.394   9.506
  195    HB3  ASN  24           HB1      ASN  24  59.728   1.200   7.950
  196   HD21  ASN  24          HD21      ASN  24  57.178   3.749   8.246
  197   HD22  ASN  24          HD22      ASN  24  58.098   2.821   7.108
  198    HA   PRO  25           HA       PRO  25  61.188  -2.914   7.084
  199    HB2  PRO  25           HB2      PRO  25  60.567  -5.370   8.456
  200    HB3  PRO  25           HB1      PRO  25  61.679  -4.070   9.068
  201    HG2  PRO  25           HG1      PRO  25  58.709  -4.486   9.678
  202    HG3  PRO  25           HG2      PRO  25  60.048  -4.071  10.832
  203    HD2  PRO  25           HD1      PRO  25  58.379  -2.123   9.905
  204    HD3  PRO  25           HD2      PRO  25  60.167  -1.790   9.957
  205    H    SER  26           HN       SER  26  61.262  -4.331   5.279
  206    HA   SER  26           HA       SER  26  60.527  -5.385   3.559
  207    HB2  SER  26           HB2      SER  26  58.612  -6.668   5.575
  208    HB3  SER  26           HB1      SER  26  58.705  -7.177   3.830
  209    HG   SER  26           HG1      SER  26  60.659  -7.277   5.860
  210    H    TYR  27           HN       TYR  27  60.074  -3.079   3.120
  211    HA   TYR  27           HA       TYR  27  57.461  -2.077   3.209
  212    HB2  TYR  27           HB2      TYR  27  58.304  -0.138   2.199
  213    HB3  TYR  27           HB1      TYR  27  59.662  -0.735   3.226
  214    HD1  TYR  27           HD1      TYR  27  61.167  -2.611   1.594
  215    HD2  TYR  27           HD2      TYR  27  59.043   0.906   0.323
  216    HE1  TYR  27           HE1      TYR  27  62.493  -2.562  -0.474
  217    HE2  TYR  27           HE2      TYR  27  60.343   0.941  -1.759
  218    HH   TYR  27           HH       TYR  27  61.938  -0.063  -3.000
  219    H    GLU  28           HN       GLU  28  59.302  -3.956   1.066
  220    HA   GLU  28           HA       GLU  28  58.129  -3.627  -1.393
  221    HB2  GLU  28           HB2      GLU  28  59.057  -6.118  -1.638
  222    HB3  GLU  28           HB1      GLU  28  60.178  -4.734  -1.462
  223    HG2  GLU  28           HG2      GLU  28  60.589  -5.147   0.882
  224    HG3  GLU  28           HG1      GLU  28  59.312  -6.402   0.994
  225    H    GLU  29           HN       GLU  29  57.153  -5.584   1.461
  226    HA   GLU  29           HA       GLU  29  55.224  -7.096   0.021
  227    HB2  GLU  29           HB2      GLU  29  55.592  -6.553   3.010
  228    HB3  GLU  29           HB1      GLU  29  54.394  -7.715   2.325
  229    HG2  GLU  29           HG2      GLU  29  56.202  -9.060   1.297
  230    HG3  GLU  29           HG1      GLU  29  57.447  -7.895   1.866
  231    H    ALA  30           HN       ALA  30  55.224  -3.975   1.784
  232    HA   ALA  30           HA       ALA  30  52.359  -3.751   1.732
  233    HB1  ALA  30           HB1      ALA  30  54.527  -1.681   2.423
  234    HB2  ALA  30           HB2      ALA  30  53.683  -2.749   3.600
  235    HB3  ALA  30           HB3      ALA  30  52.754  -1.492   2.710
  236    H    TYR  31           HN       TYR  31  54.928  -3.167  -0.509
  237    HA   TYR  31           HA       TYR  31  53.544  -1.115  -2.034
  238    HB2  TYR  31           HB2      TYR  31  56.007  -0.982  -2.065
  239    HB3  TYR  31           HB1      TYR  31  56.137  -2.715  -2.156
  240    HD1  TYR  31           HD1      TYR  31  54.145  -0.472  -4.411
  241    HD2  TYR  31           HD2      TYR  31  57.585  -2.980  -3.980
  242    HE1  TYR  31           HE1      TYR  31  54.450  -0.436  -6.858
  243    HE2  TYR  31           HE2      TYR  31  57.971  -2.883  -6.415
  244    HH   TYR  31           HH       TYR  31  55.733  -1.099  -8.595
  245    H    LEU  32           HN       LEU  32  54.633  -4.514  -2.476
  246    HA   LEU  32           HA       LEU  32  53.442  -4.740  -4.963
  247    HB2  LEU  32           HB2      LEU  32  54.516  -6.795  -2.967
  248    HB3  LEU  32           HB1      LEU  32  54.045  -7.226  -4.640
  249    HG   LEU  32           HG       LEU  32  56.122  -5.036  -3.976
  250   HD11  LEU  32          HD11      LEU  32  56.676  -8.013  -4.623
  251   HD12  LEU  32          HD12      LEU  32  56.887  -7.229  -3.013
  252   HD13  LEU  32          HD13      LEU  32  57.909  -6.712  -4.404
  253   HD21  LEU  32          HD21      LEU  32  55.194  -4.872  -6.273
  254   HD22  LEU  32          HD22      LEU  32  55.576  -6.609  -6.581
  255   HD23  LEU  32          HD23      LEU  32  56.906  -5.420  -6.320
  256    H    LYS  33           HN       LYS  33  52.133  -5.441  -1.784
  257    HA   LYS  33           HA       LYS  33  50.038  -7.154  -2.548
  258    HB2  LYS  33           HB2      LYS  33  50.755  -6.838  -0.157
  259    HB3  LYS  33           HB1      LYS  33  50.210  -5.151  -0.216
  260    HG2  LYS  33           HG2      LYS  33  48.010  -6.972  -1.007
  261    HG3  LYS  33           HG1      LYS  33  48.733  -7.496   0.548
  262    HD2  LYS  33           HD2      LYS  33  48.423  -5.282   1.536
  263    HD3  LYS  33           HD1      LYS  33  47.891  -4.613  -0.055
  264    HE2  LYS  33           HE2      LYS  33  45.814  -5.858  -0.010
  265    HE3  LYS  33           HE1      LYS  33  46.313  -6.789   1.471
  266    HZ1  LYS  33           HZ1      LYS  33  46.323  -4.717   2.682
  267    HZ2  LYS  33           HZ2      LYS  33  44.809  -4.995   1.967
  268    HZ3  LYS  33           HZ3      LYS  33  45.869  -3.853   1.293
  269    H    PHE  34           HN       PHE  34  50.296  -3.592  -2.172
  270    HA   PHE  34           HA       PHE  34  47.574  -3.113  -2.961
  271    HB2  PHE  34           HB2      PHE  34  49.990  -1.317  -2.256
  272    HB3  PHE  34           HB1      PHE  34  48.436  -0.635  -2.827
  273    HD1  PHE  34           HD1      PHE  34  50.002  -2.735  -0.202
  274    HD2  PHE  34           HD2      PHE  34  46.551  -0.447  -1.326
  275    HE1  PHE  34           HE1      PHE  34  49.148  -2.946   2.071
  276    HE2  PHE  34           HE2      PHE  34  45.707  -0.594   0.998
  277    HZ   PHE  34           HZ       PHE  34  47.028  -1.812   2.728
  278    H    GLY  35           HN       GLY  35  50.443  -1.367  -4.155
  279    HA2  GLY  35           HA2      GLY  35  51.277  -2.673  -6.196
  280    HA3  GLY  35           HA1      GLY  35  49.828  -1.852  -6.930
  281    H    ASP  36           HN       ASP  36  50.354   0.020  -7.889
  282    HA   ASP  36           HA       ASP  36  52.752   1.350  -7.324
  283    HB2  ASP  36           HB2      ASP  36  52.044   3.009  -9.008
  284    HB3  ASP  36           HB1      ASP  36  51.861   1.330  -9.603
  285    H    LYS  37           HN       LYS  37  50.153   1.306  -5.388
  286    HA   LYS  37           HA       LYS  37  49.541   3.887  -4.695
  287    HB2  LYS  37           HB2      LYS  37  48.337   1.768  -4.035
  288    HB3  LYS  37           HB1      LYS  37  49.677   1.422  -2.914
  289    HG2  LYS  37           HG2      LYS  37  47.771   2.359  -1.703
  290    HG3  LYS  37           HG1      LYS  37  49.164   3.487  -1.614
  291    HD2  LYS  37           HD2      LYS  37  47.077   4.714  -1.883
  292    HD3  LYS  37           HD1      LYS  37  48.116   4.957  -3.327
  293    HE2  LYS  37           HE2      LYS  37  46.713   3.307  -4.622
  294    HE3  LYS  37           HE1      LYS  37  45.700   3.017  -3.148
  295    HZ1  LYS  37           HZ1      LYS  37  46.036   5.605  -4.573
  296    HZ2  LYS  37           HZ2      LYS  37  45.081   5.338  -3.193
  297    HZ3  LYS  37           HZ3      LYS  37  44.694   4.568  -4.657
  298    H    LEU  38           HN       LEU  38  52.250   1.757  -3.671
  299    HA   LEU  38           HA       LEU  38  53.154   3.611  -1.657
  300    HB2  LEU  38           HB2      LEU  38  53.483   1.045  -1.463
  301    HB3  LEU  38           HB1      LEU  38  54.538   1.115  -2.826
  302    HG   LEU  38           HG       LEU  38  55.233   3.005  -0.581
  303   HD11  LEU  38          HD11      LEU  38  55.507  -0.032  -0.151
  304   HD12  LEU  38          HD12      LEU  38  54.411   1.076   0.749
  305   HD13  LEU  38          HD13      LEU  38  56.197   1.264   0.891
  306   HD21  LEU  38          HD21      LEU  38  56.722   2.700  -2.556
  307   HD22  LEU  38          HD22      LEU  38  56.884   0.945  -2.170
  308   HD23  LEU  38          HD23      LEU  38  57.543   2.190  -1.032
  309    H    LEU  39           HN       LEU  39  53.736   3.131  -5.103
  310    HA   LEU  39           HA       LEU  39  56.184   4.543  -5.149
  311    HB2  LEU  39           HB2      LEU  39  54.155   4.083  -7.394
  312    HB3  LEU  39           HB1      LEU  39  55.831   4.678  -7.596
  313    HG   LEU  39           HG       LEU  39  54.961   1.923  -6.530
  314   HD11  LEU  39          HD11      LEU  39  54.593   2.241  -8.967
  315   HD12  LEU  39          HD12      LEU  39  55.917   1.055  -8.657
  316   HD13  LEU  39          HD13      LEU  39  56.316   2.739  -9.172
  317   HD21  LEU  39          HD21      LEU  39  57.085   2.531  -5.409
  318   HD22  LEU  39          HD22      LEU  39  57.819   2.997  -6.992
  319   HD23  LEU  39          HD23      LEU  39  57.386   1.278  -6.661
  320    H    GLU  40           HN       GLU  40  52.758   5.487  -5.796
  321    HA   GLU  40           HA       GLU  40  53.405   8.133  -6.529
  322    HB2  GLU  40           HB2      GLU  40  50.958   8.604  -6.186
  323    HB3  GLU  40           HB1      GLU  40  51.294   7.254  -7.329
  324    HG2  GLU  40           HG2      GLU  40  50.721   5.592  -5.609
  325    HG3  GLU  40           HG1      GLU  40  50.551   6.845  -4.360
  326    H    TYR  41           HN       TYR  41  52.627   6.606  -3.383
  327    HA   TYR  41           HA       TYR  41  52.165   9.116  -2.095
  328    HB2  TYR  41           HB2      TYR  41  52.205   6.160  -1.319
  329    HB3  TYR  41           HB1      TYR  41  52.467   7.313  -0.021
  330    HD1  TYR  41           HD1      TYR  41  50.521   6.849   1.180
  331    HD2  TYR  41           HD2      TYR  41  50.171   8.265  -2.881
  332    HE1  TYR  41           HE1      TYR  41  48.138   7.377   1.539
  333    HE2  TYR  41           HE2      TYR  41  47.835   8.791  -2.509
  334    HH   TYR  41           HH       TYR  41  46.140   8.864  -1.057
  335    H    GLU  42           HN       GLU  42  54.886   7.165  -2.875
  336    HA   GLU  42           HA       GLU  42  56.706   8.257  -0.939
  337    HB2  GLU  42           HB2      GLU  42  57.139   6.072  -1.907
  338    HB3  GLU  42           HB1      GLU  42  57.102   6.749  -3.572
  339    HG2  GLU  42           HG2      GLU  42  59.183   8.079  -3.082
  340    HG3  GLU  42           HG1      GLU  42  59.229   7.377  -1.422
  341    H    LEU  43           HN       LEU  43  55.743   8.914  -4.317
  342    HA   LEU  43           HA       LEU  43  57.534  11.092  -4.672
  343    HB2  LEU  43           HB2      LEU  43  55.038  10.112  -6.160
  344    HB3  LEU  43           HB1      LEU  43  56.011  11.498  -6.738
  345    HG   LEU  43           HG       LEU  43  57.149   8.675  -6.309
  346   HD11  LEU  43          HD11      LEU  43  56.147   9.961  -8.926
  347   HD12  LEU  43          HD12      LEU  43  55.357   8.610  -8.028
  348   HD13  LEU  43          HD13      LEU  43  56.984   8.370  -8.768
  349   HD21  LEU  43          HD21      LEU  43  58.901  10.435  -6.266
  350   HD22  LEU  43          HD22      LEU  43  58.288  11.109  -7.824
  351   HD23  LEU  43          HD23      LEU  43  59.014   9.459  -7.773
  352    H    LEU  44           HN       LEU  44  54.455  10.712  -3.060
  353    HA   LEU  44           HA       LEU  44  53.535  13.357  -3.418
  354    HB2  LEU  44           HB2      LEU  44  52.211  11.205  -2.811
  355    HB3  LEU  44           HB1      LEU  44  52.704  11.517  -1.144
  356    HG   LEU  44           HG       LEU  44  50.470  12.267  -1.522
  357   HD11  LEU  44          HD11      LEU  44  52.199  14.797  -1.587
  358   HD12  LEU  44          HD12      LEU  44  51.921  13.746  -0.146
  359   HD13  LEU  44          HD13      LEU  44  50.530  14.631  -0.905
  360   HD21  LEU  44          HD21      LEU  44  50.527  12.366  -3.996
  361   HD22  LEU  44          HD22      LEU  44  51.422  13.933  -3.935
  362   HD23  LEU  44          HD23      LEU  44  49.743  13.829  -3.286
  363    H    GLY  45           HN       GLY  45  54.626  11.687  -0.345
  364    HA2  GLY  45           HA2      GLY  45  56.405  13.072   0.781
  365    HA3  GLY  45           HA1      GLY  45  55.147  14.373   0.702
  366    H    LYS  46           HN       LYS  46  53.636  11.361   0.927
  367    HA   LYS  46           HA       LYS  46  52.853  11.854   3.650
  368    HB2  LYS  46           HB2      LYS  46  52.075   9.706   1.647
  369    HB3  LYS  46           HB1      LYS  46  51.409   9.838   3.318
  370    HG2  LYS  46           HG2      LYS  46  50.679  12.186   2.821
  371    HG3  LYS  46           HG1      LYS  46  51.212  11.989   1.116
  372    HD2  LYS  46           HD2      LYS  46  49.549  10.222   0.745
  373    HD3  LYS  46           HD1      LYS  46  49.111  10.211   2.496
  374    HE2  LYS  46           HE2      LYS  46  48.353  12.601   2.324
  375    HE3  LYS  46           HE1      LYS  46  48.725  12.589   0.551
  376    HZ1  LYS  46           HZ1      LYS  46  46.407  12.183   0.980
  377    HZ2  LYS  46           HZ2      LYS  46  46.765  10.837   1.951
  378    HZ3  LYS  46           HZ3      LYS  46  47.121  10.804   0.292
  379    H    ILE  47           HN       ILE  47  54.570   9.414   1.694
  380    HA   ILE  47           HA       ILE  47  56.043   8.459   4.053
  381    HB   ILE  47           HB       ILE  47  56.340   6.325   2.833
  382   HG12  ILE  47          HG12      ILE  47  54.074   7.481   1.086
  383   HG13  ILE  47          HG11      ILE  47  55.760   7.190   0.560
  384   HG21  ILE  47          HG21      ILE  47  53.401   6.973   3.514
  385   HG22  ILE  47          HG22      ILE  47  54.704   6.679   4.737
  386   HG23  ILE  47          HG23      ILE  47  54.246   5.379   3.577
  387   HD11  ILE  47           HD1      ILE  47  55.530   4.827   0.960
  388   HD12  ILE  47           HD2      ILE  47  54.310   5.375  -0.243
  389   HD13  ILE  47           HD3      ILE  47  53.802   4.986   1.447
  390    H    LYS  48           HN       LYS  48  58.235   7.682   3.286
  391    HA   LYS  48           HA       LYS  48  58.953   8.541   0.606
  392    HB2  LYS  48           HB2      LYS  48  60.694   9.123   3.096
  393    HB3  LYS  48           HB1      LYS  48  61.197   9.438   1.405
  394    HG2  LYS  48           HG2      LYS  48  59.423  11.166   1.177
  395    HG3  LYS  48           HG1      LYS  48  58.900  10.877   2.874
  396    HD2  LYS  48           HD2      LYS  48  61.693  11.850   2.017
  397    HD3  LYS  48           HD1      LYS  48  60.350  12.892   2.615
  398    HE2  LYS  48           HE2      LYS  48  60.377  11.637   4.818
  399    HE3  LYS  48           HE1      LYS  48  61.787  10.666   4.221
  400    HZ1  LYS  48           HZ1      LYS  48  63.023  12.708   3.984
  401    HZ2  LYS  48           HZ2      LYS  48  62.466  12.507   5.576
  402    HZ3  LYS  48           HZ3      LYS  48  61.703  13.619   4.544
  403    H    ARG  49           HN       ARG  49  61.129   7.464   0.035
  404    HA   ARG  49           HA       ARG  49  61.956   5.358   1.809
  405    HB2  ARG  49           HB2      ARG  49  60.236   4.154   0.492
  406    HB3  ARG  49           HB1      ARG  49  61.029   4.639  -1.037
  407    HG2  ARG  49           HG2      ARG  49  62.709   3.219   1.067
  408    HG3  ARG  49           HG1      ARG  49  61.440   2.271   0.239
  409    HD2  ARG  49           HD2      ARG  49  62.451   2.775  -1.993
  410    HD3  ARG  49           HD1      ARG  49  63.730   3.786  -1.192
  411    HE   ARG  49           HE       ARG  49  63.530   1.050  -0.105
  412   HH11  ARG  49          HH11      ARG  49  65.216  -0.464  -0.639
  413   HH12  ARG  49          HH12      ARG  49  66.354  -0.101  -1.894
  414   HH21  ARG  49          HH21      ARG  49  64.953   3.066  -2.698
  415   HH22  ARG  49          HH22      ARG  49  66.203   1.929  -3.077
  416    H    ILE  50           HN       ILE  50  64.224   5.087   1.497
  417    HA   ILE  50           HA       ILE  50  65.431   6.217  -0.853
  418    HB   ILE  50           HB       ILE  50  65.116   8.247   0.385
  419   HG12  ILE  50          HG12      ILE  50  68.073   7.433   0.605
  420   HG13  ILE  50          HG11      ILE  50  67.231   7.741  -0.954
  421   HG21  ILE  50          HG21      ILE  50  66.660   6.958   2.729
  422   HG22  ILE  50          HG22      ILE  50  64.883   7.270   2.688
  423   HG23  ILE  50          HG23      ILE  50  66.039   8.642   2.632
  424   HD11  ILE  50           HD1      ILE  50  66.639  10.047  -0.203
  425   HD12  ILE  50           HD2      ILE  50  68.425   9.782  -0.231
  426   HD13  ILE  50           HD3      ILE  50  67.542   9.787   1.341
  427    H    ASN  51           HN       ASN  51  65.613   4.721   2.373
  428    HA   ASN  51           HA       ASN  51  68.328   3.930   1.988
  429    HB2  ASN  51           HB2      ASN  51  68.084   2.901   4.299
  430    HB3  ASN  51           HB1      ASN  51  67.885   4.669   4.173
  431   HD21  ASN  51          HD21      ASN  51  64.403   4.755   5.095
  432   HD22  ASN  51          HD22      ASN  51  65.599   5.561   4.136
  433    H    HIS  52           HN       HIS  52  66.238   1.600   3.539
  434    HA   HIS  52           HA       HIS  52  66.594  -0.253   1.276
  435    HB2  HIS  52           HB2      HIS  52  66.463  -0.799   4.305
  436    HB3  HIS  52           HB1      HIS  52  66.532  -2.065   3.024
  437    HD1  HIS  52           HD1      HIS  52  68.694  -2.162   5.053
  438    HD2  HIS  52           HD2      HIS  52  69.068   0.181   1.589
  439    HE1  HIS  52           HE1      HIS  52  71.170  -1.816   4.638
  440    HE2  HIS  52           HE2      HIS  52  71.350  -0.404   2.542
  441    H    ILE  53           HN       ILE  53  64.579   1.186   3.842
  442    HA   ILE  53           HA       ILE  53  62.227  -0.240   2.815
  443    HB   ILE  53           HB       ILE  53  61.350  -0.377   5.080
  444   HG12  ILE  53          HG12      ILE  53  64.208   0.287   6.045
  445   HG13  ILE  53          HG11      ILE  53  62.849   1.464   6.058
  446   HG21  ILE  53          HG21      ILE  53  64.014  -1.864   4.609
  447   HG22  ILE  53          HG22      ILE  53  62.415  -2.293   3.891
  448   HG23  ILE  53          HG23      ILE  53  62.665  -2.394   5.668
  449   HD11  ILE  53           HD1      ILE  53  61.484  -0.176   7.401
  450   HD12  ILE  53           HD2      ILE  53  62.931   0.478   8.272
  451   HD13  ILE  53           HD3      ILE  53  62.957  -1.198   7.603
  452    H    VAL  54           HN       VAL  54  60.218   0.858   3.732
  453    HA   VAL  54           HA       VAL  54  60.291   3.565   2.910
  454    HB   VAL  54           HB       VAL  54  58.458   1.940   2.374
  455   HG11  VAL  54          HG11      VAL  54  57.581   2.298   5.314
  456   HG12  VAL  54          HG12      VAL  54  58.350   0.811   4.641
  457   HG13  VAL  54          HG13      VAL  54  56.750   1.360   4.028
  458   HG21  VAL  54          HG21      VAL  54  58.075   4.348   2.097
  459   HG22  VAL  54          HG22      VAL  54  57.557   4.499   3.825
  460   HG23  VAL  54          HG23      VAL  54  56.583   3.526   2.669
  461    H    VAL  55           HN       VAL  55  59.987   5.389   4.243
  462    HA   VAL  55           HA       VAL  55  59.910   4.924   7.143
  463    HB   VAL  55           HB       VAL  55  60.988   7.141   7.427
  464   HG11  VAL  55          HG11      VAL  55  62.653   5.058   5.858
  465   HG12  VAL  55          HG12      VAL  55  62.264   4.998   7.618
  466   HG13  VAL  55          HG13      VAL  55  63.295   6.325   6.965
  467   HG21  VAL  55          HG21      VAL  55  60.454   8.142   5.177
  468   HG22  VAL  55          HG22      VAL  55  61.547   6.947   4.380
  469   HG23  VAL  55          HG23      VAL  55  62.217   8.173   5.510
  470    H    LEU  56           HN       LEU  56  58.504   6.452   8.240
  471    HA   LEU  56           HA       LEU  56  56.341   7.425   6.544
  472    HB2  LEU  56           HB2      LEU  56  56.835   7.412   9.572
  473    HB3  LEU  56           HB1      LEU  56  55.398   8.189   8.828
  474    HG   LEU  56           HG       LEU  56  56.040   5.214   8.418
  475   HD11  LEU  56          HD11      LEU  56  54.366   6.483  10.673
  476   HD12  LEU  56          HD12      LEU  56  55.925   5.593  10.853
  477   HD13  LEU  56          HD13      LEU  56  54.451   4.726  10.287
  478   HD21  LEU  56          HD21      LEU  56  54.387   6.147   6.825
  479   HD22  LEU  56          HD22      LEU  56  53.423   6.833   8.188
  480   HD23  LEU  56          HD23      LEU  56  53.579   5.047   8.003
  481    H    ALA  57           HN       ALA  57  55.722   9.747   6.775
  482    HA   ALA  57           HA       ALA  57  57.876  11.529   6.566
  483    HB1  ALA  57           HB1      ALA  57  54.893  12.088   7.105
  484    HB2  ALA  57           HB2      ALA  57  55.692  12.016   5.493
  485    HB3  ALA  57           HB3      ALA  57  56.115  13.334   6.637
  486    H    HIS  58           HN       HIS  58  55.569  10.766   9.212
  487    HA   HIS  58           HA       HIS  58  57.073  12.384  11.107
  488    HB2  HIS  58           HB2      HIS  58  55.285  11.863  12.706
  489    HB3  HIS  58           HB1      HIS  58  54.582  12.500  11.192
  490    HD1  HIS  58           HD1      HIS  58  53.742  10.428   9.474
  491    HD2  HIS  58           HD2      HIS  58  54.079   9.545  13.563
  492    HE1  HIS  58           HE1      HIS  58  52.373   8.341   9.910
  493    HE2  HIS  58           HE2      HIS  58  52.606   7.842  12.383
  494    H    HIS  59           HN       HIS  59  56.785  10.723  13.402
  495    HA   HIS  59           HA       HIS  59  58.684   8.599  12.758
  496    HB2  HIS  59           HB2      HIS  59  59.224  10.175  14.621
  497    HB3  HIS  59           HB1      HIS  59  57.746   9.648  15.487
  498    HD1  HIS  59           HD1      HIS  59  57.792   6.965  16.137
  499    HD2  HIS  59           HD2      HIS  59  61.477   8.645  15.034
  500    HE1  HIS  59           HE1      HIS  59  59.610   5.395  16.948
  501    HE2  HIS  59           HE2      HIS  59  61.812   6.441  16.257
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  50.680 -15.205   8.933
    2    H2   MET   1           HT2      MET   1  51.933 -15.739   7.918
    3    H3   MET   1           HT3      MET   1  50.500 -15.118   7.247
    4    HA   MET   1           HA       MET   1  52.438 -13.632   8.883
    5    HB2  MET   1           HB2      MET   1  53.298 -14.188   6.587
    6    HB3  MET   1           HB1      MET   1  51.834 -13.457   5.866
    7    HG2  MET   1           HG2      MET   1  52.559 -11.234   7.025
    8    HG3  MET   1           HG1      MET   1  54.073 -12.073   7.463
    9    HE1  MET   1           HE1      MET   1  51.688 -11.935   4.215
   10    HE2  MET   1           HE2      MET   1  52.570 -10.689   3.271
   11    HE3  MET   1           HE3      MET   1  51.887 -10.277   4.879
   12    H    LEU   2           HN       LEU   2  49.821 -13.057   6.415
   13    HA   LEU   2           HA       LEU   2  49.155 -10.589   7.642
   14    HB2  LEU   2           HB2      LEU   2  49.040 -11.043   5.145
   15    HB3  LEU   2           HB1      LEU   2  47.651 -12.128   5.458
   16    HG   LEU   2           HG       LEU   2  46.409 -10.146   6.459
   17   HD11  LEU   2          HD11      LEU   2  48.776  -8.495   5.364
   18   HD12  LEU   2          HD12      LEU   2  48.293  -8.661   7.094
   19   HD13  LEU   2          HD13      LEU   2  47.202  -7.826   5.935
   20   HD21  LEU   2          HD21      LEU   2  47.333  -9.801   3.540
   21   HD22  LEU   2          HD22      LEU   2  45.846  -9.098   4.284
   22   HD23  LEU   2          HD23      LEU   2  46.014 -10.887   4.126
   23    H    LYS   3           HN       LYS   3  47.425 -10.080   8.941
   24    HA   LYS   3           HA       LYS   3  46.088 -12.360  10.189
   25    HB2  LYS   3           HB2      LYS   3  47.518 -10.810  11.557
   26    HB3  LYS   3           HB1      LYS   3  46.407  -9.459  11.181
   27    HG2  LYS   3           HG2      LYS   3  45.366 -12.056  12.455
   28    HG3  LYS   3           HG1      LYS   3  46.269 -10.865  13.450
   29    HD2  LYS   3           HD2      LYS   3  44.650  -9.095  12.976
   30    HD3  LYS   3           HD1      LYS   3  43.731 -10.167  11.868
   31    HE2  LYS   3           HE2      LYS   3  43.250 -11.738  13.798
   32    HE3  LYS   3           HE1      LYS   3  44.105 -10.594  14.913
   33    HZ1  LYS   3           HZ1      LYS   3  41.738 -10.283  14.934
   34    HZ2  LYS   3           HZ2      LYS   3  41.707  -9.989  13.261
   35    HZ3  LYS   3           HZ3      LYS   3  42.504  -8.905  14.299
   36    H    ASP   4           HN       ASP   4  43.930 -12.652   9.875
   37    HA   ASP   4           HA       ASP   4  42.513 -10.660   8.268
   38    HB2  ASP   4           HB2      ASP   4  41.806 -13.581   8.941
   39    HB3  ASP   4           HB1      ASP   4  40.837 -12.486   7.882
   40    H    TYR   5           HN       TYR   5  40.587  -9.771   8.949
   41    HA   TYR   5           HA       TYR   5  40.168  -9.814  11.849
   42    HB2  TYR   5           HB2      TYR   5  39.392  -7.730   9.767
   43    HB3  TYR   5           HB1      TYR   5  39.149  -7.583  11.555
   44    HD1  TYR   5           HD1      TYR   5  41.097  -7.361  13.052
   45    HD2  TYR   5           HD2      TYR   5  41.588  -7.436   8.783
   46    HE1  TYR   5           HE1      TYR   5  43.402  -6.516  13.305
   47    HE2  TYR   5           HE2      TYR   5  43.894  -6.597   9.028
   48    HH   TYR   5           HH       TYR   5  45.307  -5.916  12.264
   49    H    HIS   6           HN       HIS   6  37.617  -8.343  10.707
   50    HA   HIS   6           HA       HIS   6  35.810 -10.540  10.936
   51    HB2  HIS   6           HB2      HIS   6  35.451  -8.115  11.703
   52    HB3  HIS   6           HB1      HIS   6  35.263  -7.646   9.997
   53    HD1  HIS   6           HD1      HIS   6  33.086  -8.688   8.775
   54    HD2  HIS   6           HD2      HIS   6  33.211  -9.268  12.931
   55    HE1  HIS   6           HE1      HIS   6  30.756  -9.352   9.514
   56    HE2  HIS   6           HE2      HIS   6  30.876  -9.696  12.022
   57    H    LEU   7           HN       LEU   7  37.385  -8.679   8.449
   58    HA   LEU   7           HA       LEU   7  35.813  -9.060   6.242
   59    HB2  LEU   7           HB2      LEU   7  38.882  -8.873   6.372
   60    HB3  LEU   7           HB1      LEU   7  37.924  -8.841   4.855
   61    HG   LEU   7           HG       LEU   7  36.688  -6.799   5.769
   62   HD11  LEU   7          HD11      LEU   7  37.971  -5.336   7.368
   63   HD12  LEU   7          HD12      LEU   7  39.086  -6.708   7.718
   64   HD13  LEU   7          HD13      LEU   7  37.342  -6.812   8.171
   65   HD21  LEU   7          HD21      LEU   7  38.364  -6.742   3.936
   66   HD22  LEU   7          HD22      LEU   7  39.699  -6.577   5.137
   67   HD23  LEU   7          HD23      LEU   7  38.475  -5.264   4.962
   68    H    LYS   8           HN       LYS   8  35.485 -10.618   4.748
   69    HA   LYS   8           HA       LYS   8  36.483 -13.280   5.416
   70    HB2  LYS   8           HB2      LYS   8  34.017 -12.883   5.416
   71    HB3  LYS   8           HB1      LYS   8  34.097 -12.331   3.716
   72    HG2  LYS   8           HG2      LYS   8  34.963 -14.628   3.055
   73    HG3  LYS   8           HG1      LYS   8  34.764 -15.162   4.760
   74    HD2  LYS   8           HD2      LYS   8  32.525 -14.119   2.906
   75    HD3  LYS   8           HD1      LYS   8  32.900 -15.851   3.218
   76    HE2  LYS   8           HE2      LYS   8  32.347 -15.545   5.657
   77    HE3  LYS   8           HE1      LYS   8  31.925 -13.812   5.342
   78    HZ1  LYS   8           HZ1      LYS   8  30.234 -14.557   3.814
   79    HZ2  LYS   8           HZ2      LYS   8  30.001 -15.215   5.362
   80    HZ3  LYS   8           HZ3      LYS   8  30.623 -16.183   4.112
   81    H    GLU   9           HN       GLU   9  35.675 -11.190   2.536
   82    HA   GLU   9           HA       GLU   9  37.389 -12.850   0.893
   83    HB2  GLU   9           HB2      GLU   9  36.357 -11.757  -1.023
   84    HB3  GLU   9           HB1      GLU   9  35.158 -12.615  -0.014
   85    HG2  GLU   9           HG2      GLU   9  35.697  -9.590   0.174
   86    HG3  GLU   9           HG1      GLU   9  34.479 -10.315  -0.939
   87    H    MET  10           HN       MET  10  39.013 -11.812  -0.494
   88    HA   MET  10           HA       MET  10  39.716  -9.111   0.346
   89    HB2  MET  10           HB2      MET  10  41.348 -10.655   1.348
   90    HB3  MET  10           HB1      MET  10  41.522 -11.526  -0.209
   91    HG2  MET  10           HG2      MET  10  43.443 -10.042   0.155
   92    HG3  MET  10           HG1      MET  10  42.469  -9.560  -1.272
   93    HE1  MET  10           HE1      MET  10  43.959  -6.167  -0.121
   94    HE2  MET  10           HE2      MET  10  43.666  -7.317  -1.471
   95    HE3  MET  10           HE3      MET  10  44.716  -7.796  -0.092
   96    HA   PRO  11           HA       PRO  11  39.179  -9.209  -4.177
   97    HB2  PRO  11           HB2      PRO  11  38.196  -6.607  -4.442
   98    HB3  PRO  11           HB1      PRO  11  37.186  -8.050  -4.072
   99    HG2  PRO  11           HG1      PRO  11  38.303  -6.014  -2.083
  100    HG3  PRO  11           HG2      PRO  11  36.620  -6.679  -2.194
  101    HD2  PRO  11           HD1      PRO  11  38.467  -7.702  -0.406
  102    HD3  PRO  11           HD2      PRO  11  37.332  -8.807  -1.259
  103    H    GLU  12           HN       GLU  12  39.935  -5.804  -3.175
  104    HA   GLU  12           HA       GLU  12  42.717  -6.139  -3.339
  105    HB2  GLU  12           HB2      GLU  12  42.285  -6.132  -5.831
  106    HB3  GLU  12           HB1      GLU  12  41.342  -4.616  -5.653
  107    HG2  GLU  12           HG2      GLU  12  43.433  -3.430  -4.839
  108    HG3  GLU  12           HG1      GLU  12  44.346  -4.978  -4.977
  109    H    MET  13           HN       MET  13  43.177  -4.816  -1.672
  110    HA   MET  13           HA       MET  13  41.527  -2.424  -1.249
  111    HB2  MET  13           HB2      MET  13  43.473  -3.908   0.595
  112    HB3  MET  13           HB1      MET  13  42.617  -2.375   1.008
  113    HG2  MET  13           HG2      MET  13  40.418  -3.551   0.710
  114    HG3  MET  13           HG1      MET  13  41.286  -5.067   0.337
  115    HE1  MET  13           HE1      MET  13  40.148  -2.466   2.970
  116    HE2  MET  13           HE2      MET  13  41.917  -2.180   3.099
  117    HE3  MET  13           HE3      MET  13  41.026  -2.909   4.473
  118    H    GLU  14           HN       GLU  14  42.833  -0.476  -0.489
  119    HA   GLU  14           HA       GLU  14  45.466  -0.296  -1.708
  120    HB2  GLU  14           HB2      GLU  14  44.811   1.521  -3.222
  121    HB3  GLU  14           HB1      GLU  14  43.800   0.077  -3.568
  122    HG2  GLU  14           HG2      GLU  14  41.877   1.059  -2.318
  123    HG3  GLU  14           HG1      GLU  14  42.853   2.510  -1.898
  124    H    ASP  15           HN       ASP  15  42.918   0.715   0.391
  125    HA   ASP  15           HA       ASP  15  44.314   3.106   1.220
  126    HB2  ASP  15           HB2      ASP  15  42.540   3.589   2.697
  127    HB3  ASP  15           HB1      ASP  15  41.848   3.170   1.101
  128    H    GLU  16           HN       GLU  16  44.077  -0.268   1.994
  129    HA   GLU  16           HA       GLU  16  45.234  -0.353   4.528
  130    HB2  GLU  16           HB2      GLU  16  44.208  -2.325   3.352
  131    HB3  GLU  16           HB1      GLU  16  45.509  -2.257   2.120
  132    HG2  GLU  16           HG2      GLU  16  47.212  -2.731   3.982
  133    HG3  GLU  16           HG1      GLU  16  45.836  -2.910   5.131
  134    H    PHE  17           HN       PHE  17  46.577  -0.219   1.185
  135    HA   PHE  17           HA       PHE  17  49.272  -0.250   1.845
  136    HB2  PHE  17           HB2      PHE  17  48.427  -0.652  -0.470
  137    HB3  PHE  17           HB1      PHE  17  47.810   1.022  -0.553
  138    HD1  PHE  17           HD1      PHE  17  50.916  -1.030  -0.353
  139    HD2  PHE  17           HD2      PHE  17  49.241   2.847  -1.087
  140    HE1  PHE  17           HE1      PHE  17  53.098  -0.261  -1.249
  141    HE2  PHE  17           HE2      PHE  17  51.454   3.635  -1.906
  142    HZ   PHE  17           HZ       PHE  17  53.376   2.103  -1.912
  143    H    LEU  18           HN       LEU  18  46.908   2.465   1.643
  144    HA   LEU  18           HA       LEU  18  48.840   4.481   1.770
  145    HB2  LEU  18           HB2      LEU  18  45.828   4.312   2.075
  146    HB3  LEU  18           HB1      LEU  18  46.602   5.852   2.481
  147    HG   LEU  18           HG       LEU  18  47.012   4.389  -0.185
  148   HD11  LEU  18          HD11      LEU  18  44.616   5.004   0.051
  149   HD12  LEU  18          HD12      LEU  18  45.423   6.010  -1.207
  150   HD13  LEU  18          HD13      LEU  18  45.072   6.710   0.419
  151   HD21  LEU  18          HD21      LEU  18  47.876   6.560  -1.025
  152   HD22  LEU  18          HD22      LEU  18  48.856   5.998   0.361
  153   HD23  LEU  18          HD23      LEU  18  47.642   7.309   0.598
  154    H    GLU  19           HN       GLU  19  47.492   2.518   4.350
  155    HA   GLU  19           HA       GLU  19  48.181   4.582   6.343
  156    HB2  GLU  19           HB2      GLU  19  46.824   1.868   6.630
  157    HB3  GLU  19           HB1      GLU  19  47.234   2.964   7.997
  158    HG2  GLU  19           HG2      GLU  19  45.300   3.608   5.673
  159    HG3  GLU  19           HG1      GLU  19  44.872   3.193   7.370
  160    H    TYR  20           HN       TYR  20  49.401   1.808   4.715
  161    HA   TYR  20           HA       TYR  20  51.261   0.961   6.761
  162    HB2  TYR  20           HB2      TYR  20  50.674   0.291   3.815
  163    HB3  TYR  20           HB1      TYR  20  52.109  -0.349   4.562
  164    HD1  TYR  20           HD1      TYR  20  51.759  -2.598   4.538
  165    HD2  TYR  20           HD2      TYR  20  48.854  -0.108   6.474
  166    HE1  TYR  20           HE1      TYR  20  50.632  -4.611   5.418
  167    HE2  TYR  20           HE2      TYR  20  47.739  -2.101   7.384
  168    HH   TYR  20           HH       TYR  20  48.910  -5.418   6.628
  169    H    CYS  21           HN       CYS  21  50.966   3.199   4.196
  170    HA   CYS  21           HA       CYS  21  53.616   3.257   3.361
  171    HB2  CYS  21           HB2      CYS  21  51.582   5.589   3.281
  172    HB3  CYS  21           HB1      CYS  21  53.202   5.680   2.534
  173    HG   CYS  21           HG1      CYS  21  50.676   3.773   1.777
  174    H    ALA  22           HN       ALA  22  52.047   4.476   6.174
  175    HA   ALA  22           HA       ALA  22  53.617   6.640   6.924
  176    HB1  ALA  22           HB1      ALA  22  52.035   4.628   8.641
  177    HB2  ALA  22           HB2      ALA  22  51.345   6.084   7.846
  178    HB3  ALA  22           HB3      ALA  22  52.567   6.277   9.162
  179    H    LYS  23           HN       LYS  23  54.338   3.253   6.816
  180    HA   LYS  23           HA       LYS  23  56.697   3.537   8.497
  181    HB2  LYS  23           HB2      LYS  23  55.457   1.328   8.541
  182    HB3  LYS  23           HB1      LYS  23  55.768   1.154   6.788
  183    HG2  LYS  23           HG2      LYS  23  58.301   1.293   7.351
  184    HG3  LYS  23           HG1      LYS  23  57.831   1.306   9.082
  185    HD2  LYS  23           HD2      LYS  23  58.485  -0.929   8.530
  186    HD3  LYS  23           HD1      LYS  23  56.694  -0.951   8.712
  187    HE2  LYS  23           HE2      LYS  23  56.451  -0.938   6.192
  188    HE3  LYS  23           HE1      LYS  23  58.251  -0.847   6.025
  189    HZ1  LYS  23           HZ1      LYS  23  58.409  -2.961   7.144
  190    HZ2  LYS  23           HZ2      LYS  23  57.424  -3.070   5.766
  191    HZ3  LYS  23           HZ3      LYS  23  56.721  -3.047   7.313
  192    H    ASN  24           HN       ASN  24  57.330   5.331   7.232
  193    HA   ASN  24           HA       ASN  24  57.896   5.184   4.512
  194    HB2  ASN  24           HB2      ASN  24  59.066   7.112   6.605
  195    HB3  ASN  24           HB1      ASN  24  59.217   7.293   4.828
  196   HD21  ASN  24          HD21      ASN  24  55.738   8.172   4.289
  197   HD22  ASN  24          HD22      ASN  24  57.085   7.357   3.566
  198    HA   PRO  25           HA       PRO  25  62.424   4.211   5.702
  199    HB2  PRO  25           HB2      PRO  25  62.714   2.589   8.055
  200    HB3  PRO  25           HB1      PRO  25  63.133   4.350   7.917
  201    HG2  PRO  25           HG1      PRO  25  60.535   3.092   8.933
  202    HG3  PRO  25           HG2      PRO  25  61.471   4.473   9.647
  203    HD2  PRO  25           HD1      PRO  25  59.269   4.965   8.117
  204    HD3  PRO  25           HD2      PRO  25  60.766   5.957   7.833
  205    H    SER  26           HN       SER  26  63.068   2.526   4.479
  206    HA   SER  26           HA       SER  26  63.075   0.659   3.401
  207    HB2  SER  26           HB2      SER  26  62.156  -0.499   6.077
  208    HB3  SER  26           HB1      SER  26  62.619  -1.530   4.652
  209    HG   SER  26           HG1      SER  26  64.314  -1.176   6.089
  210    H    TYR  27           HN       TYR  27  61.463   1.733   2.104
  211    HA   TYR  27           HA       TYR  27  58.714   1.135   2.418
  212    HB2  TYR  27           HB2      TYR  27  58.413   2.349   0.314
  213    HB3  TYR  27           HB1      TYR  27  59.542   3.246   1.408
  214    HD1  TYR  27           HD1      TYR  27  59.392   1.091  -1.664
  215    HD2  TYR  27           HD2      TYR  27  61.624   3.863   0.686
  216    HE1  TYR  27           HE1      TYR  27  61.125   1.140  -3.420
  217    HE2  TYR  27           HE2      TYR  27  63.434   3.874  -1.024
  218    HH   TYR  27           HH       TYR  27  64.124   3.097  -3.020
  219    H    GLU  28           HN       GLU  28  61.345  -0.456   1.212
  220    HA   GLU  28           HA       GLU  28  60.598  -1.807  -1.039
  221    HB2  GLU  28           HB2      GLU  28  62.397  -3.218   0.978
  222    HB3  GLU  28           HB1      GLU  28  62.609  -2.984  -0.791
  223    HG2  GLU  28           HG2      GLU  28  63.113  -0.500  -0.272
  224    HG3  GLU  28           HG1      GLU  28  62.974  -0.916   1.491
  225    H    GLU  29           HN       GLU  29  60.229  -2.636   2.424
  226    HA   GLU  29           HA       GLU  29  59.158  -5.215   2.032
  227    HB2  GLU  29           HB2      GLU  29  58.988  -3.212   4.352
  228    HB3  GLU  29           HB1      GLU  29  58.440  -4.928   4.460
  229    HG2  GLU  29           HG2      GLU  29  60.732  -5.752   4.085
  230    HG3  GLU  29           HG1      GLU  29  61.336  -4.086   3.773
  231    H    ALA  30           HN       ALA  30  57.847  -1.933   2.031
  232    HA   ALA  30           HA       ALA  30  55.093  -2.859   2.311
  233    HB1  ALA  30           HB1      ALA  30  54.485  -0.456   2.225
  234    HB2  ALA  30           HB2      ALA  30  56.197  -0.029   1.844
  235    HB3  ALA  30           HB3      ALA  30  55.779  -0.740   3.442
  236    H    TYR  31           HN       TYR  31  57.361  -2.478  -0.229
  237    HA   TYR  31           HA       TYR  31  55.429  -1.850  -2.317
  238    HB2  TYR  31           HB2      TYR  31  57.642  -0.840  -2.656
  239    HB3  TYR  31           HB1      TYR  31  58.436  -2.260  -2.031
  240    HD1  TYR  31           HD1      TYR  31  55.893  -2.210  -4.787
  241    HD2  TYR  31           HD2      TYR  31  60.016  -2.637  -3.719
  242    HE1  TYR  31           HE1      TYR  31  56.360  -3.112  -7.035
  243    HE2  TYR  31           HE2      TYR  31  60.524  -3.470  -5.985
  244    HH   TYR  31           HH       TYR  31  57.938  -3.890  -8.449
  245    H    LEU  32           HN       LEU  32  57.727  -4.426  -1.354
  246    HA   LEU  32           HA       LEU  32  56.974  -6.146  -3.399
  247    HB2  LEU  32           HB2      LEU  32  58.529  -6.529  -0.788
  248    HB3  LEU  32           HB1      LEU  32  58.447  -7.785  -2.061
  249    HG   LEU  32           HG       LEU  32  59.455  -4.910  -2.580
  250   HD11  LEU  32          HD11      LEU  32  60.870  -5.967  -0.800
  251   HD12  LEU  32          HD12      LEU  32  61.777  -5.762  -2.343
  252   HD13  LEU  32          HD13      LEU  32  61.160  -7.390  -1.868
  253   HD21  LEU  32          HD21      LEU  32  59.851  -7.525  -4.176
  254   HD22  LEU  32          HD22      LEU  32  60.585  -5.923  -4.562
  255   HD23  LEU  32          HD23      LEU  32  58.800  -6.133  -4.639
  256    H    LYS  33           HN       LYS  33  55.748  -5.780  -0.141
  257    HA   LYS  33           HA       LYS  33  54.507  -8.289   0.148
  258    HB2  LYS  33           HB2      LYS  33  54.902  -6.706   2.054
  259    HB3  LYS  33           HB1      LYS  33  53.756  -5.552   1.351
  260    HG2  LYS  33           HG2      LYS  33  52.617  -8.310   1.819
  261    HG3  LYS  33           HG1      LYS  33  53.238  -7.497   3.298
  262    HD2  LYS  33           HD2      LYS  33  51.864  -5.533   2.845
  263    HD3  LYS  33           HD1      LYS  33  51.326  -6.223   1.274
  264    HE2  LYS  33           HE2      LYS  33  50.685  -7.319   4.105
  265    HE3  LYS  33           HE1      LYS  33  49.554  -6.486   2.968
  266    HZ1  LYS  33           HZ1      LYS  33  49.804  -8.295   1.433
  267    HZ2  LYS  33           HZ2      LYS  33  49.253  -8.847   2.942
  268    HZ3  LYS  33           HZ3      LYS  33  50.870  -9.097   2.484
  269    H    PHE  34           HN       PHE  34  53.438  -5.125  -1.161
  270    HA   PHE  34           HA       PHE  34  50.799  -6.078  -1.835
  271    HB2  PHE  34           HB2      PHE  34  52.262  -3.386  -2.216
  272    HB3  PHE  34           HB1      PHE  34  50.617  -3.704  -2.851
  273    HD1  PHE  34           HD1      PHE  34  52.658  -3.714   0.272
  274    HD2  PHE  34           HD2      PHE  34  48.712  -3.525  -1.406
  275    HE1  PHE  34           HE1      PHE  34  51.771  -3.169   2.478
  276    HE2  PHE  34           HE2      PHE  34  47.802  -2.948   0.826
  277    HZ   PHE  34           HZ       PHE  34  49.333  -2.732   2.776
  278    H    GLY  35           HN       GLY  35  52.919  -4.117  -3.922
  279    HA2  GLY  35           HA2      GLY  35  54.140  -5.767  -5.498
  280    HA3  GLY  35           HA1      GLY  35  52.458  -5.830  -6.183
  281    H    ASP  36           HN       ASP  36  52.286  -4.482  -7.886
  282    HA   ASP  36           HA       ASP  36  54.078  -2.339  -8.232
  283    HB2  ASP  36           HB2      ASP  36  51.535  -3.000  -9.813
  284    HB3  ASP  36           HB1      ASP  36  52.880  -1.929 -10.362
  285    H    LYS  37           HN       LYS  37  51.603  -2.435  -6.132
  286    HA   LYS  37           HA       LYS  37  50.046  -0.205  -6.510
  287    HB2  LYS  37           HB2      LYS  37  49.670  -2.135  -4.916
  288    HB3  LYS  37           HB1      LYS  37  50.974  -1.488  -3.904
  289    HG2  LYS  37           HG2      LYS  37  48.825  -0.846  -2.966
  290    HG3  LYS  37           HG1      LYS  37  49.663   0.628  -3.550
  291    HD2  LYS  37           HD2      LYS  37  47.301   0.784  -4.041
  292    HD3  LYS  37           HD1      LYS  37  48.197   0.643  -5.591
  293    HE2  LYS  37           HE2      LYS  37  47.542  -1.802  -5.730
  294    HE3  LYS  37           HE1      LYS  37  46.669  -1.645  -4.150
  295    HZ1  LYS  37           HZ1      LYS  37  45.204  -1.473  -6.029
  296    HZ2  LYS  37           HZ2      LYS  37  46.066  -0.147  -6.648
  297    HZ3  LYS  37           HZ3      LYS  37  45.239  -0.009  -5.170
  298    H    LEU  38           HN       LEU  38  53.266  -0.629  -4.959
  299    HA   LEU  38           HA       LEU  38  53.349   2.087  -4.012
  300    HB2  LEU  38           HB2      LEU  38  54.574   0.146  -2.823
  301    HB3  LEU  38           HB1      LEU  38  55.621   0.007  -4.198
  302    HG   LEU  38           HG       LEU  38  55.412   2.783  -3.059
  303   HD11  LEU  38          HD11      LEU  38  56.768   0.602  -1.366
  304   HD12  LEU  38          HD12      LEU  38  55.245   1.458  -0.948
  305   HD13  LEU  38          HD13      LEU  38  56.784   2.379  -1.074
  306   HD21  LEU  38          HD21      LEU  38  57.805   0.967  -3.753
  307   HD22  LEU  38          HD22      LEU  38  57.901   2.722  -3.319
  308   HD23  LEU  38          HD23      LEU  38  57.059   2.207  -4.831
  309    H    LEU  39           HN       LEU  39  54.386   0.386  -6.956
  310    HA   LEU  39           HA       LEU  39  56.163   2.385  -7.802
  311    HB2  LEU  39           HB2      LEU  39  54.567   0.379  -9.479
  312    HB3  LEU  39           HB1      LEU  39  55.959   1.353 -10.051
  313    HG   LEU  39           HG       LEU  39  55.982  -0.830  -7.882
  314   HD11  LEU  39          HD11      LEU  39  57.328  -2.116  -9.521
  315   HD12  LEU  39          HD12      LEU  39  57.236  -0.746 -10.695
  316   HD13  LEU  39          HD13      LEU  39  55.739  -1.638 -10.233
  317   HD21  LEU  39          HD21      LEU  39  57.676   0.855  -7.237
  318   HD22  LEU  39          HD22      LEU  39  58.340   0.876  -8.917
  319   HD23  LEU  39          HD23      LEU  39  58.489  -0.604  -7.897
  320    H    GLU  40           HN       GLU  40  52.679   1.789  -8.522
  321    HA   GLU  40           HA       GLU  40  52.472   3.918 -10.357
  322    HB2  GLU  40           HB2      GLU  40  50.003   3.617 -10.119
  323    HB3  GLU  40           HB1      GLU  40  50.874   2.088 -10.505
  324    HG2  GLU  40           HG2      GLU  40  50.743   1.425  -8.090
  325    HG3  GLU  40           HG1      GLU  40  49.890   2.933  -7.698
  326    H    TYR  41           HN       TYR  41  51.928   3.693  -6.823
  327    HA   TYR  41           HA       TYR  41  50.678   6.261  -6.638
  328    HB2  TYR  41           HB2      TYR  41  51.667   4.090  -4.741
  329    HB3  TYR  41           HB1      TYR  41  51.430   5.704  -4.043
  330    HD1  TYR  41           HD1      TYR  41  49.722   4.798  -2.582
  331    HD2  TYR  41           HD2      TYR  41  49.095   4.696  -6.853
  332    HE1  TYR  41           HE1      TYR  41  47.358   4.222  -2.252
  333    HE2  TYR  41           HE2      TYR  41  46.757   4.171  -6.502
  334    HH   TYR  41           HH       TYR  41  45.116   3.770  -5.011
  335    H    GLU  42           HN       GLU  42  53.945   5.124  -6.800
  336    HA   GLU  42           HA       GLU  42  55.129   7.488  -5.692
  337    HB2  GLU  42           HB2      GLU  42  56.269   5.224  -5.818
  338    HB3  GLU  42           HB1      GLU  42  56.430   5.454  -7.586
  339    HG2  GLU  42           HG2      GLU  42  57.844   7.499  -7.181
  340    HG3  GLU  42           HG1      GLU  42  57.590   7.326  -5.403
  341    H    LEU  43           HN       LEU  43  54.297   6.290  -8.944
  342    HA   LEU  43           HA       LEU  43  55.373   8.500 -10.354
  343    HB2  LEU  43           HB2      LEU  43  53.374   6.271 -11.031
  344    HB3  LEU  43           HB1      LEU  43  53.902   7.465 -12.254
  345    HG   LEU  43           HG       LEU  43  55.832   5.629 -10.721
  346   HD11  LEU  43          HD11      LEU  43  54.622   5.220 -13.526
  347   HD12  LEU  43          HD12      LEU  43  54.244   4.257 -12.047
  348   HD13  LEU  43          HD13      LEU  43  55.901   4.207 -12.755
  349   HD21  LEU  43          HD21      LEU  43  56.945   7.652 -11.639
  350   HD22  LEU  43          HD22      LEU  43  56.239   7.323 -13.266
  351   HD23  LEU  43          HD23      LEU  43  57.438   6.182 -12.550
  352    H    LEU  44           HN       LEU  44  52.400   7.900  -8.620
  353    HA   LEU  44           HA       LEU  44  50.795   9.759 -10.061
  354    HB2  LEU  44           HB2      LEU  44  49.808   7.759  -9.142
  355    HB3  LEU  44           HB1      LEU  44  50.428   8.161  -7.516
  356    HG   LEU  44           HG       LEU  44  48.861   9.957  -7.248
  357   HD11  LEU  44          HD11      LEU  44  48.787  10.941  -9.544
  358   HD12  LEU  44          HD12      LEU  44  47.125  10.554  -8.979
  359   HD13  LEU  44          HD13      LEU  44  47.945   9.471 -10.165
  360   HD21  LEU  44          HD21      LEU  44  48.059   7.662  -6.768
  361   HD22  LEU  44          HD22      LEU  44  47.446   7.499  -8.455
  362   HD23  LEU  44          HD23      LEU  44  46.705   8.710  -7.343
  363    H    GLY  45           HN       GLY  45  51.512   9.658  -6.494
  364    HA2  GLY  45           HA2      GLY  45  53.057  11.531  -5.880
  365    HA3  GLY  45           HA1      GLY  45  51.740  12.581  -6.550
  366    H    LYS  46           HN       LYS  46  51.533   9.496  -4.740
  367    HA   LYS  46           HA       LYS  46  49.927  10.832  -2.677
  368    HB2  LYS  46           HB2      LYS  46  50.170   7.929  -3.520
  369    HB3  LYS  46           HB1      LYS  46  49.371   8.459  -1.994
  370    HG2  LYS  46           HG2      LYS  46  47.862   9.959  -3.293
  371    HG3  LYS  46           HG1      LYS  46  48.553   9.343  -4.834
  372    HD2  LYS  46           HD2      LYS  46  47.681   7.103  -4.404
  373    HD3  LYS  46           HD1      LYS  46  47.235   7.543  -2.714
  374    HE2  LYS  46           HE2      LYS  46  45.556   9.181  -3.526
  375    HE3  LYS  46           HE1      LYS  46  45.961   8.775  -5.241
  376    HZ1  LYS  46           HZ1      LYS  46  44.022   7.600  -4.479
  377    HZ2  LYS  46           HZ2      LYS  46  44.887   6.895  -3.198
  378    HZ3  LYS  46           HZ3      LYS  46  45.279   6.504  -4.803
  379    H    ILE  47           HN       ILE  47  52.815   8.903  -3.440
  380    HA   ILE  47           HA       ILE  47  53.953   9.531  -0.802
  381    HB   ILE  47           HB       ILE  47  55.459   7.631  -1.109
  382   HG12  ILE  47          HG12      ILE  47  53.644   6.897  -3.494
  383   HG13  ILE  47          HG11      ILE  47  55.292   7.597  -3.667
  384   HG21  ILE  47          HG21      ILE  47  52.471   6.844  -1.224
  385   HG22  ILE  47          HG22      ILE  47  53.315   7.515   0.224
  386   HG23  ILE  47          HG23      ILE  47  53.818   5.930  -0.455
  387   HD11  ILE  47           HD1      ILE  47  54.628   5.015  -2.260
  388   HD12  ILE  47           HD2      ILE  47  56.293   5.667  -2.485
  389   HD13  ILE  47           HD3      ILE  47  55.322   5.122  -3.911
  390    H    LYS  48           HN       LYS  48  56.622   9.418  -1.375
  391    HA   LYS  48           HA       LYS  48  57.100   9.192  -4.023
  392    HB2  LYS  48           HB2      LYS  48  58.430  11.377  -4.528
  393    HB3  LYS  48           HB1      LYS  48  56.641  11.507  -4.535
  394    HG2  LYS  48           HG2      LYS  48  56.753  12.462  -2.194
  395    HG3  LYS  48           HG1      LYS  48  58.550  12.489  -2.375
  396    HD2  LYS  48           HD2      LYS  48  57.756  14.685  -2.862
  397    HD3  LYS  48           HD1      LYS  48  58.224  13.958  -4.441
  398    HE2  LYS  48           HE2      LYS  48  55.780  13.504  -4.937
  399    HE3  LYS  48           HE1      LYS  48  55.334  14.177  -3.317
  400    HZ1  LYS  48           HZ1      LYS  48  55.047  15.766  -5.070
  401    HZ2  LYS  48           HZ2      LYS  48  56.680  15.650  -5.521
  402    HZ3  LYS  48           HZ3      LYS  48  56.261  16.283  -4.001
  403    H    ARG  49           HN       ARG  49  59.122   8.396  -4.431
  404    HA   ARG  49           HA       ARG  49  61.040   8.504  -2.204
  405    HB2  ARG  49           HB2      ARG  49  60.302   6.259  -3.143
  406    HB3  ARG  49           HB1      ARG  49  61.099   6.683  -4.679
  407    HG2  ARG  49           HG2      ARG  49  62.607   6.707  -1.980
  408    HG3  ARG  49           HG1      ARG  49  62.269   5.192  -2.879
  409    HD2  ARG  49           HD2      ARG  49  63.535   6.002  -4.865
  410    HD3  ARG  49           HD1      ARG  49  63.919   7.549  -3.999
  411    HE   ARG  49           HE       ARG  49  64.660   5.142  -2.475
  412   HH11  ARG  49          HH11      ARG  49  66.934   4.693  -2.231
  413   HH12  ARG  49          HH12      ARG  49  68.099   5.518  -3.212
  414   HH21  ARG  49          HH21      ARG  49  65.712   7.448  -5.004
  415   HH22  ARG  49          HH22      ARG  49  67.397   7.104  -4.802
  416    H    ILE  50           HN       ILE  50  62.936   9.686  -2.502
  417    HA   ILE  50           HA       ILE  50  63.853  10.178  -5.169
  418    HB   ILE  50           HB       ILE  50  62.341  12.013  -5.033
  419   HG12  ILE  50          HG12      ILE  50  65.190  13.090  -4.608
  420   HG13  ILE  50          HG11      ILE  50  64.659  12.203  -6.079
  421   HG21  ILE  50          HG21      ILE  50  62.432  13.759  -3.306
  422   HG22  ILE  50          HG22      ILE  50  63.763  12.913  -2.445
  423   HG23  ILE  50          HG23      ILE  50  62.120  12.169  -2.536
  424   HD11  ILE  50           HD1      ILE  50  62.869  13.899  -6.478
  425   HD12  ILE  50           HD2      ILE  50  64.516  14.638  -6.475
  426   HD13  ILE  50           HD3      ILE  50  63.435  14.846  -5.047
  427    H    ASN  51           HN       ASN  51  64.159  10.650  -1.621
  428    HA   ASN  51           HA       ASN  51  66.939  11.247  -1.852
  429    HB2  ASN  51           HB2      ASN  51  65.437  12.348  -0.170
  430    HB3  ASN  51           HB1      ASN  51  65.180  10.774   0.642
  431   HD21  ASN  51          HD21      ASN  51  67.779  11.974   2.810
  432   HD22  ASN  51          HD22      ASN  51  66.077  11.726   2.604
  433    H    HIS  52           HN       HIS  52  65.545   8.923   0.498
  434    HA   HIS  52           HA       HIS  52  67.324   6.820  -0.538
  435    HB2  HIS  52           HB2      HIS  52  66.796   7.563   2.410
  436    HB3  HIS  52           HB1      HIS  52  67.751   6.148   1.838
  437    HD1  HIS  52           HD1      HIS  52  69.778   7.120   0.019
  438    HD2  HIS  52           HD2      HIS  52  68.470   9.601   3.143
  439    HE1  HIS  52           HE1      HIS  52  71.584   8.852   0.413
  440    HE2  HIS  52           HE2      HIS  52  70.755  10.328   2.299
  441    H    ILE  53           HN       ILE  53  64.431   7.905   1.250
  442    HA   ILE  53           HA       ILE  53  63.158   5.318   0.770
  443    HB   ILE  53           HB       ILE  53  61.942   5.633   2.929
  444   HG12  ILE  53          HG12      ILE  53  64.267   7.537   3.637
  445   HG13  ILE  53          HG11      ILE  53  62.628   8.106   3.155
  446   HG21  ILE  53          HG21      ILE  53  64.968   5.061   2.938
  447   HG22  ILE  53          HG22      ILE  53  63.623   3.916   2.542
  448   HG23  ILE  53          HG23      ILE  53  63.801   4.563   4.209
  449   HD11  ILE  53           HD1      ILE  53  61.632   6.673   4.963
  450   HD12  ILE  53           HD2      ILE  53  62.648   8.043   5.576
  451   HD13  ILE  53           HD3      ILE  53  63.294   6.356   5.597
  452    H    VAL  54           HN       VAL  54  60.682   5.705   1.303
  453    HA   VAL  54           HA       VAL  54  59.826   7.765  -0.475
  454    HB   VAL  54           HB       VAL  54  57.537   6.920  -0.021
  455   HG11  VAL  54          HG11      VAL  54  57.916   4.633  -1.023
  456   HG12  VAL  54          HG12      VAL  54  59.689   4.926  -0.873
  457   HG13  VAL  54          HG13      VAL  54  58.676   6.014  -1.884
  458   HG21  VAL  54          HG21      VAL  54  57.317   4.798   1.356
  459   HG22  VAL  54          HG22      VAL  54  57.671   6.273   2.316
  460   HG23  VAL  54          HG23      VAL  54  58.979   5.089   1.992
  461    H    VAL  55           HN       VAL  55  58.062   9.276   0.179
  462    HA   VAL  55           HA       VAL  55  58.035   9.941   3.032
  463    HB   VAL  55           HB       VAL  55  57.729  12.295   2.524
  464   HG11  VAL  55          HG11      VAL  55  60.249  11.209   1.096
  465   HG12  VAL  55          HG12      VAL  55  60.051  11.408   2.879
  466   HG13  VAL  55          HG13      VAL  55  60.025  12.851   1.798
  467   HG21  VAL  55          HG21      VAL  55  56.590  12.182   0.306
  468   HG22  VAL  55          HG22      VAL  55  58.055  11.524  -0.467
  469   HG23  VAL  55          HG23      VAL  55  58.064  13.189   0.179
  470    H    LEU  56           HN       LEU  56  55.832  11.152   3.412
  471    HA   LEU  56           HA       LEU  56  53.763  10.064   1.614
  472    HB2  LEU  56           HB2      LEU  56  53.513  11.657   4.217
  473    HB3  LEU  56           HB1      LEU  56  52.134  11.077   3.237
  474    HG   LEU  56           HG       LEU  56  54.177   9.176   4.537
  475   HD11  LEU  56          HD11      LEU  56  53.099  10.542   6.315
  476   HD12  LEU  56          HD12      LEU  56  52.535   8.830   6.364
  477   HD13  LEU  56          HD13      LEU  56  51.468  10.111   5.673
  478   HD21  LEU  56          HD21      LEU  56  52.355   7.494   4.290
  479   HD22  LEU  56          HD22      LEU  56  52.900   8.138   2.693
  480   HD23  LEU  56          HD23      LEU  56  51.345   8.704   3.416
  481    H    ALA  57           HN       ALA  57  52.736  11.514   0.274
  482    HA   ALA  57           HA       ALA  57  53.962  14.145   0.011
  483    HB1  ALA  57           HB1      ALA  57  53.581  12.857  -2.091
  484    HB2  ALA  57           HB2      ALA  57  52.611  14.374  -2.065
  485    HB3  ALA  57           HB3      ALA  57  51.821  12.786  -1.729
  486    H    HIS  58           HN       HIS  58  53.199  15.616   1.411
  487    HA   HIS  58           HA       HIS  58  50.523  15.397   2.475
  488    HB2  HIS  58           HB2      HIS  58  52.775  17.415   3.049
  489    HB3  HIS  58           HB1      HIS  58  51.239  17.252   3.977
  490    HD1  HIS  58           HD1      HIS  58  50.958  14.561   4.874
  491    HD2  HIS  58           HD2      HIS  58  54.839  16.001   4.178
  492    HE1  HIS  58           HE1      HIS  58  52.560  13.048   6.125
  493    HE2  HIS  58           HE2      HIS  58  54.886  13.946   5.674
  494    H    HIS  59           HN       HIS  59  52.604  17.723   0.669
  495    HA   HIS  59           HA       HIS  59  50.221  19.087  -0.348
  496    HB2  HIS  59           HB2      HIS  59  52.079  20.520   0.534
  497    HB3  HIS  59           HB1      HIS  59  53.209  19.753  -0.627
  498    HD1  HIS  59           HD1      HIS  59  49.814  21.562  -0.831
  499    HD2  HIS  59           HD2      HIS  59  53.442  21.286  -2.923
  500    HE1  HIS  59           HE1      HIS  59  49.676  23.160  -2.793
  501    HE2  HIS  59           HE2      HIS  59  51.879  22.958  -4.030
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  27.544 -25.047   2.804
    2    H2   MET   1           HT2      MET   1  29.235 -24.940   2.936
    3    H3   MET   1           HT3      MET   1  28.244 -24.205   4.103
    4    HA   MET   1           HA       MET   1  27.429 -26.295   4.811
    5    HB2  MET   1           HB2      MET   1  27.630 -27.496   2.625
    6    HB3  MET   1           HB1      MET   1  29.412 -27.453   2.747
    7    HG2  MET   1           HG2      MET   1  28.521 -29.673   3.314
    8    HG3  MET   1           HG1      MET   1  29.385 -28.942   4.693
    9    HE1  MET   1           HE1      MET   1  25.622 -28.289   3.335
   10    HE2  MET   1           HE2      MET   1  24.758 -29.536   4.292
   11    HE3  MET   1           HE3      MET   1  26.007 -30.031   3.100
   12    H    LEU   2           HN       LEU   2  30.920 -26.360   3.785
   13    HA   LEU   2           HA       LEU   2  31.721 -26.699   6.529
   14    HB2  LEU   2           HB2      LEU   2  32.773 -27.414   3.991
   15    HB3  LEU   2           HB1      LEU   2  33.931 -26.204   4.600
   16    HG   LEU   2           HG       LEU   2  32.974 -28.676   6.164
   17   HD11  LEU   2          HD11      LEU   2  34.150 -29.360   4.075
   18   HD12  LEU   2          HD12      LEU   2  35.131 -29.756   5.535
   19   HD13  LEU   2          HD13      LEU   2  35.563 -28.330   4.518
   20   HD21  LEU   2          HD21      LEU   2  35.062 -28.346   7.543
   21   HD22  LEU   2          HD22      LEU   2  33.858 -27.029   7.734
   22   HD23  LEU   2          HD23      LEU   2  35.329 -26.767   6.714
   23    H    LYS   3           HN       LYS   3  33.517 -25.283   7.374
   24    HA   LYS   3           HA       LYS   3  32.746 -22.509   7.025
   25    HB2  LYS   3           HB2      LYS   3  33.860 -22.032   9.083
   26    HB3  LYS   3           HB1      LYS   3  32.823 -23.470   9.286
   27    HG2  LYS   3           HG2      LYS   3  34.652 -24.244  10.411
   28    HG3  LYS   3           HG1      LYS   3  35.077 -24.829   8.770
   29    HD2  LYS   3           HD2      LYS   3  37.069 -23.865   9.704
   30    HD3  LYS   3           HD1      LYS   3  36.465 -22.670   8.503
   31    HE2  LYS   3           HE2      LYS   3  35.443 -21.318  10.404
   32    HE3  LYS   3           HE1      LYS   3  36.100 -22.526  11.581
   33    HZ1  LYS   3           HZ1      LYS   3  37.676 -20.852   9.698
   34    HZ2  LYS   3           HZ2      LYS   3  38.309 -21.986  10.792
   35    HZ3  LYS   3           HZ3      LYS   3  37.499 -20.609  11.370
   36    H    ASP   4           HN       ASP   4  34.370 -20.821   6.803
   37    HA   ASP   4           HA       ASP   4  36.754 -21.721   5.335
   38    HB2  ASP   4           HB2      ASP   4  34.931 -20.468   3.954
   39    HB3  ASP   4           HB1      ASP   4  35.276 -19.033   4.976
   40    H    TYR   5           HN       TYR   5  38.576 -20.132   5.610
   41    HA   TYR   5           HA       TYR   5  38.699 -19.180   8.373
   42    HB2  TYR   5           HB2      TYR   5  40.955 -19.547   6.361
   43    HB3  TYR   5           HB1      TYR   5  41.132 -19.168   8.118
   44    HD1  TYR   5           HD1      TYR   5  40.563 -21.800   5.623
   45    HD2  TYR   5           HD2      TYR   5  40.412 -20.869   9.816
   46    HE1  TYR   5           HE1      TYR   5  40.478 -24.208   6.150
   47    HE2  TYR   5           HE2      TYR   5  40.331 -23.275  10.351
   48    HH   TYR   5           HH       TYR   5  40.300 -25.378   9.546
   49    H    HIS   6           HN       HIS   6  41.015 -17.452   7.224
   50    HA   HIS   6           HA       HIS   6  39.364 -15.140   6.640
   51    HB2  HIS   6           HB2      HIS   6  41.284 -14.954   8.249
   52    HB3  HIS   6           HB1      HIS   6  42.419 -15.401   6.946
   53    HD1  HIS   6           HD1      HIS   6  39.630 -12.770   7.329
   54    HD2  HIS   6           HD2      HIS   6  43.507 -13.148   5.765
   55    HE1  HIS   6           HE1      HIS   6  40.276 -10.519   6.364
   56    HE2  HIS   6           HE2      HIS   6  42.611 -10.793   5.420
   57    H    LEU   7           HN       LEU   7  42.039 -17.063   5.197
   58    HA   LEU   7           HA       LEU   7  43.128 -16.995   3.347
   59    HB2  LEU   7           HB2      LEU   7  40.265 -17.425   2.838
   60    HB3  LEU   7           HB1      LEU   7  41.173 -17.082   1.332
   61    HG   LEU   7           HG       LEU   7  42.712 -18.943   1.766
   62   HD11  LEU   7          HD11      LEU   7  42.780 -19.022   4.273
   63   HD12  LEU   7          HD12      LEU   7  42.295 -20.612   3.589
   64   HD13  LEU   7          HD13      LEU   7  41.044 -19.524   4.293
   65   HD21  LEU   7          HD21      LEU   7  39.754 -19.698   2.118
   66   HD22  LEU   7          HD22      LEU   7  41.043 -20.794   1.478
   67   HD23  LEU   7          HD23      LEU   7  40.559 -19.320   0.543
   68    H    LYS   8           HN       LYS   8  42.421 -15.843   0.703
   69    HA   LYS   8           HA       LYS   8  42.676 -12.983   1.342
   70    HB2  LYS   8           HB2      LYS   8  44.725 -14.090   0.143
   71    HB3  LYS   8           HB1      LYS   8  43.640 -14.271  -1.269
   72    HG2  LYS   8           HG2      LYS   8  44.918 -12.251  -1.578
   73    HG3  LYS   8           HG1      LYS   8  43.257 -11.711  -1.150
   74    HD2  LYS   8           HD2      LYS   8  44.014 -11.314   1.218
   75    HD3  LYS   8           HD1      LYS   8  45.651 -11.931   0.792
   76    HE2  LYS   8           HE2      LYS   8  45.941 -10.011  -0.826
   77    HE3  LYS   8           HE1      LYS   8  44.297  -9.404  -0.365
   78    HZ1  LYS   8           HZ1      LYS   8  45.068  -9.159   1.887
   79    HZ2  LYS   8           HZ2      LYS   8  46.035  -8.274   0.809
   80    HZ3  LYS   8           HZ3      LYS   8  46.611  -9.730   1.467
   81    H    GLU   9           HN       GLU   9  40.791 -12.016   0.959
   82    HA   GLU   9           HA       GLU   9  38.877 -13.293  -0.830
   83    HB2  GLU   9           HB2      GLU   9  37.131 -12.508   0.745
   84    HB3  GLU   9           HB1      GLU   9  38.290 -13.656   1.508
   85    HG2  GLU   9           HG2      GLU   9  39.540 -11.729   2.539
   86    HG3  GLU   9           HG1      GLU   9  38.307 -10.594   1.872
   87    H    MET  10           HN       MET  10  40.605 -10.380   0.268
   88    HA   MET  10           HA       MET  10  39.260  -8.885  -1.834
   89    HB2  MET  10           HB2      MET  10  38.339  -8.348   0.392
   90    HB3  MET  10           HB1      MET  10  39.989  -8.060   1.030
   91    HG2  MET  10           HG2      MET  10  38.959  -5.910   0.539
   92    HG3  MET  10           HG1      MET  10  40.340  -6.251  -0.565
   93    HE1  MET  10           HE1      MET  10  39.460  -4.091  -1.661
   94    HE2  MET  10           HE2      MET  10  37.933  -4.006  -0.723
   95    HE3  MET  10           HE3      MET  10  37.891  -3.896  -2.517
   96    HA   PRO  11           HA       PRO  11  43.807  -8.689  -2.278
   97    HB2  PRO  11           HB2      PRO  11  43.990  -9.253  -4.990
   98    HB3  PRO  11           HB1      PRO  11  43.724 -10.543  -3.757
   99    HG2  PRO  11           HG1      PRO  11  41.590  -9.113  -5.435
  100    HG3  PRO  11           HG2      PRO  11  41.840 -10.899  -5.233
  101    HD2  PRO  11           HD1      PRO  11  40.018  -9.499  -3.676
  102    HD3  PRO  11           HD2      PRO  11  41.009 -10.831  -2.959
  103    H    GLU  12           HN       GLU  12  41.162  -6.774  -3.192
  104    HA   GLU  12           HA       GLU  12  42.712  -5.042  -4.969
  105    HB2  GLU  12           HB2      GLU  12  39.719  -5.060  -4.305
  106    HB3  GLU  12           HB1      GLU  12  40.534  -4.036  -5.548
  107    HG2  GLU  12           HG2      GLU  12  41.177  -6.108  -6.822
  108    HG3  GLU  12           HG1      GLU  12  40.362  -7.126  -5.576
  109    H    MET  13           HN       MET  13  43.587  -4.946  -2.286
  110    HA   MET  13           HA       MET  13  42.246  -2.721  -1.006
  111    HB2  MET  13           HB2      MET  13  44.626  -4.407  -0.184
  112    HB3  MET  13           HB1      MET  13  44.039  -2.980   0.735
  113    HG2  MET  13           HG2      MET  13  42.430  -5.515   0.090
  114    HG3  MET  13           HG1      MET  13  43.169  -5.065   1.651
  115    HE1  MET  13           HE1      MET  13  42.381  -3.308   3.303
  116    HE2  MET  13           HE2      MET  13  41.040  -2.143   3.041
  117    HE3  MET  13           HE3      MET  13  42.554  -1.987   2.094
  118    H    GLU  14           HN       GLU  14  43.325  -0.710  -0.511
  119    HA   GLU  14           HA       GLU  14  45.798  -0.112  -1.851
  120    HB2  GLU  14           HB2      GLU  14  44.906   1.699  -3.246
  121    HB3  GLU  14           HB1      GLU  14  44.084   0.159  -3.678
  122    HG2  GLU  14           HG2      GLU  14  42.071   0.816  -2.354
  123    HG3  GLU  14           HG1      GLU  14  42.857   2.366  -1.887
  124    H    ASP  15           HN       ASP  15  43.140   0.530   0.292
  125    HA   ASP  15           HA       ASP  15  44.319   2.995   1.237
  126    HB2  ASP  15           HB2      ASP  15  42.495   3.250   2.734
  127    HB3  ASP  15           HB1      ASP  15  41.884   2.935   1.082
  128    H    GLU  16           HN       GLU  16  44.301  -0.427   1.937
  129    HA   GLU  16           HA       GLU  16  45.448  -0.429   4.489
  130    HB2  GLU  16           HB2      GLU  16  44.574  -2.482   3.327
  131    HB3  GLU  16           HB1      GLU  16  45.875  -2.328   2.103
  132    HG2  GLU  16           HG2      GLU  16  47.588  -2.668   3.984
  133    HG3  GLU  16           HG1      GLU  16  46.218  -2.921   5.123
  134    H    PHE  17           HN       PHE  17  46.765  -0.181   1.145
  135    HA   PHE  17           HA       PHE  17  49.460  -0.082   1.813
  136    HB2  PHE  17           HB2      PHE  17  48.619  -0.530  -0.498
  137    HB3  PHE  17           HB1      PHE  17  47.949   1.123  -0.588
  138    HD1  PHE  17           HD1      PHE  17  49.310   2.954  -1.205
  139    HD2  PHE  17           HD2      PHE  17  51.133  -0.819  -0.291
  140    HE1  PHE  17           HE1      PHE  17  51.483   3.802  -2.022
  141    HE2  PHE  17           HE2      PHE  17  53.292   0.005  -1.180
  142    HZ   PHE  17           HZ       PHE  17  53.500   2.355  -1.922
  143    H    LEU  18           HN       LEU  18  46.944   2.495   1.637
  144    HA   LEU  18           HA       LEU  18  48.731   4.630   1.811
  145    HB2  LEU  18           HB2      LEU  18  45.750   4.234   2.129
  146    HB3  LEU  18           HB1      LEU  18  46.396   5.797   2.650
  147    HG   LEU  18           HG       LEU  18  46.924   4.576  -0.110
  148   HD11  LEU  18          HD11      LEU  18  45.198   6.130  -1.015
  149   HD12  LEU  18          HD12      LEU  18  44.790   6.668   0.659
  150   HD13  LEU  18          HD13      LEU  18  44.484   4.962   0.157
  151   HD21  LEU  18          HD21      LEU  18  47.590   6.884  -0.775
  152   HD22  LEU  18          HD22      LEU  18  48.623   6.291   0.562
  153   HD23  LEU  18          HD23      LEU  18  47.302   7.470   0.905
  154    H    GLU  19           HN       GLU  19  47.490   2.534   4.385
  155    HA   GLU  19           HA       GLU  19  48.065   4.580   6.407
  156    HB2  GLU  19           HB2      GLU  19  47.056   1.682   6.619
  157    HB3  GLU  19           HB1      GLU  19  47.299   2.806   8.011
  158    HG2  GLU  19           HG2      GLU  19  45.620   4.383   7.019
  159    HG3  GLU  19           HG1      GLU  19  45.315   3.233   5.679
  160    H    TYR  20           HN       TYR  20  49.461   1.891   4.744
  161    HA   TYR  20           HA       TYR  20  51.420   1.182   6.735
  162    HB2  TYR  20           HB2      TYR  20  50.800   0.496   3.800
  163    HB3  TYR  20           HB1      TYR  20  52.300  -0.049   4.492
  164    HD1  TYR  20           HD1      TYR  20  52.184  -2.305   4.593
  165    HD2  TYR  20           HD2      TYR  20  49.021  -0.039   6.396
  166    HE1  TYR  20           HE1      TYR  20  51.239  -4.385   5.529
  167    HE2  TYR  20           HE2      TYR  20  48.081  -2.098   7.358
  168    HH   TYR  20           HH       TYR  20  48.250  -4.337   7.530
  169    H    CYS  21           HN       CYS  21  50.945   3.431   4.206
  170    HA   CYS  21           HA       CYS  21  53.563   3.622   3.320
  171    HB2  CYS  21           HB2      CYS  21  51.415   5.841   3.284
  172    HB3  CYS  21           HB1      CYS  21  53.018   6.034   2.523
  173    HG   CYS  21           HG1      CYS  21  52.875   4.123   0.870
  174    H    ALA  22           HN       ALA  22  51.916   4.826   6.120
  175    HA   ALA  22           HA       ALA  22  53.465   7.012   6.878
  176    HB1  ALA  22           HB1      ALA  22  51.148   6.504   7.729
  177    HB2  ALA  22           HB2      ALA  22  52.322   6.718   9.082
  178    HB3  ALA  22           HB3      ALA  22  51.793   5.062   8.583
  179    H    LYS  23           HN       LYS  23  54.115   3.607   6.920
  180    HA   LYS  23           HA       LYS  23  56.406   3.923   8.695
  181    HB2  LYS  23           HB2      LYS  23  55.053   1.789   8.863
  182    HB3  LYS  23           HB1      LYS  23  55.431   1.456   7.145
  183    HG2  LYS  23           HG2      LYS  23  57.926   1.475   7.792
  184    HG3  LYS  23           HG1      LYS  23  57.421   1.719   9.493
  185    HD2  LYS  23           HD2      LYS  23  57.943  -0.625   9.186
  186    HD3  LYS  23           HD1      LYS  23  56.172  -0.464   9.426
  187    HE2  LYS  23           HE2      LYS  23  56.694  -2.144   7.658
  188    HE3  LYS  23           HE1      LYS  23  55.819  -0.743   6.929
  189    HZ1  LYS  23           HZ1      LYS  23  57.954   0.126   6.212
  190    HZ2  LYS  23           HZ2      LYS  23  57.664  -1.429   5.594
  191    HZ3  LYS  23           HZ3      LYS  23  58.754  -1.216   6.877
  192    H    ASN  24           HN       ASN  24  57.170   5.580   7.322
  193    HA   ASN  24           HA       ASN  24  57.826   5.251   4.652
  194    HB2  ASN  24           HB2      ASN  24  59.048   7.184   6.699
  195    HB3  ASN  24           HB1      ASN  24  59.330   7.243   4.926
  196   HD21  ASN  24          HD21      ASN  24  55.856   8.759   6.543
  197   HD22  ASN  24          HD22      ASN  24  57.097   8.050   7.522
  198    HA   PRO  25           HA       PRO  25  62.247   3.955   5.959
  199    HB2  PRO  25           HB2      PRO  25  62.288   2.357   8.366
  200    HB3  PRO  25           HB1      PRO  25  62.919   4.052   8.199
  201    HG2  PRO  25           HG1      PRO  25  60.173   3.122   9.174
  202    HG3  PRO  25           HG2      PRO  25  61.234   4.420   9.869
  203    HD2  PRO  25           HD1      PRO  25  59.130   5.089   8.273
  204    HD3  PRO  25           HD2      PRO  25  60.728   5.909   7.989
  205    H    SER  26           HN       SER  26  62.963   2.007   5.055
  206    HA   SER  26           HA       SER  26  62.839   0.105   4.079
  207    HB2  SER  26           HB2      SER  26  61.181  -0.679   6.528
  208    HB3  SER  26           HB1      SER  26  61.674  -1.868   5.239
  209    HG   SER  26           HG1      SER  26  63.096  -1.792   6.977
  210    H    TYR  27           HN       TYR  27  61.716   1.664   2.616
  211    HA   TYR  27           HA       TYR  27  58.931   1.522   2.292
  212    HB2  TYR  27           HB2      TYR  27  59.162   2.968   0.487
  213    HB3  TYR  27           HB1      TYR  27  60.476   3.482   1.600
  214    HD1  TYR  27           HD1      TYR  27  62.724   1.613   0.879
  215    HD2  TYR  27           HD2      TYR  27  59.801   3.507  -1.646
  216    HE1  TYR  27           HE1      TYR  27  64.177   1.272  -1.073
  217    HE2  TYR  27           HE2      TYR  27  61.246   3.221  -3.568
  218    HH   TYR  27           HH       TYR  27  63.209   2.391  -4.354
  219    H    GLU  28           HN       GLU  28  61.624  -0.254   1.257
  220    HA   GLU  28           HA       GLU  28  60.840  -1.556  -1.033
  221    HB2  GLU  28           HB2      GLU  28  62.557  -3.343  -0.067
  222    HB3  GLU  28           HB1      GLU  28  63.122  -1.718  -0.565
  223    HG2  GLU  28           HG2      GLU  28  63.237  -0.889   1.710
  224    HG3  GLU  28           HG1      GLU  28  62.419  -2.340   2.379
  225    H    GLU  29           HN       GLU  29  60.141  -2.255   2.435
  226    HA   GLU  29           HA       GLU  29  59.040  -4.807   1.899
  227    HB2  GLU  29           HB2      GLU  29  58.659  -2.899   4.262
  228    HB3  GLU  29           HB1      GLU  29  58.037  -4.590   4.200
  229    HG2  GLU  29           HG2      GLU  29  60.357  -5.467   3.930
  230    HG3  GLU  29           HG1      GLU  29  61.019  -3.797   4.005
  231    H    ALA  30           HN       ALA  30  57.706  -1.462   1.954
  232    HA   ALA  30           HA       ALA  30  55.001  -2.363   1.882
  233    HB1  ALA  30           HB1      ALA  30  54.445   0.035   1.439
  234    HB2  ALA  30           HB2      ALA  30  56.199   0.393   1.208
  235    HB3  ALA  30           HB3      ALA  30  55.588  -0.122   2.820
  236    H    TYR  31           HN       TYR  31  57.531  -1.886  -0.534
  237    HA   TYR  31           HA       TYR  31  55.705  -1.714  -2.758
  238    HB2  TYR  31           HB2      TYR  31  57.915  -0.672  -3.051
  239    HB3  TYR  31           HB1      TYR  31  58.707  -2.057  -2.351
  240    HD1  TYR  31           HD1      TYR  31  56.169  -1.923  -5.142
  241    HD2  TYR  31           HD2      TYR  31  60.220  -2.758  -4.015
  242    HE1  TYR  31           HE1      TYR  31  56.542  -2.966  -7.335
  243    HE2  TYR  31           HE2      TYR  31  60.644  -3.720  -6.246
  244    HH   TYR  31           HH       TYR  31  59.771  -4.277  -8.248
  245    H    LEU  32           HN       LEU  32  58.008  -4.144  -1.456
  246    HA   LEU  32           HA       LEU  32  57.368  -6.034  -3.386
  247    HB2  LEU  32           HB2      LEU  32  58.799  -6.229  -0.690
  248    HB3  LEU  32           HB1      LEU  32  58.793  -7.558  -1.889
  249    HG   LEU  32           HG       LEU  32  59.786  -4.704  -2.540
  250   HD11  LEU  32          HD11      LEU  32  61.490  -7.104  -1.582
  251   HD12  LEU  32          HD12      LEU  32  61.117  -5.630  -0.615
  252   HD13  LEU  32          HD13      LEU  32  62.104  -5.494  -2.117
  253   HD21  LEU  32          HD21      LEU  32  61.030  -5.822  -4.389
  254   HD22  LEU  32          HD22      LEU  32  59.256  -6.083  -4.539
  255   HD23  LEU  32          HD23      LEU  32  60.313  -7.412  -3.930
  256    H    LYS  33           HN       LYS  33  56.003  -5.517  -0.176
  257    HA   LYS  33           HA       LYS  33  54.837  -8.066   0.161
  258    HB2  LYS  33           HB2      LYS  33  55.187  -6.420   2.048
  259    HB3  LYS  33           HB1      LYS  33  53.996  -5.336   1.319
  260    HG2  LYS  33           HG2      LYS  33  52.918  -8.095   1.807
  261    HG3  LYS  33           HG1      LYS  33  53.562  -7.305   3.288
  262    HD2  LYS  33           HD2      LYS  33  52.152  -5.340   2.893
  263    HD3  LYS  33           HD1      LYS  33  51.606  -6.014   1.318
  264    HE2  LYS  33           HE2      LYS  33  51.006  -7.165   4.132
  265    HE3  LYS  33           HE1      LYS  33  49.858  -6.315   3.024
  266    HZ1  LYS  33           HZ1      LYS  33  49.579  -8.680   2.945
  267    HZ2  LYS  33           HZ2      LYS  33  51.194  -8.901   2.465
  268    HZ3  LYS  33           HZ3      LYS  33  50.109  -8.085   1.444
  269    H    PHE  34           HN       PHE  34  53.679  -4.924  -1.122
  270    HA   PHE  34           HA       PHE  34  51.059  -5.928  -1.765
  271    HB2  PHE  34           HB2      PHE  34  52.511  -3.228  -2.127
  272    HB3  PHE  34           HB1      PHE  34  50.869  -3.518  -2.788
  273    HD1  PHE  34           HD1      PHE  34  48.942  -3.416  -1.346
  274    HD2  PHE  34           HD2      PHE  34  52.880  -3.503   0.360
  275    HE1  PHE  34           HE1      PHE  34  48.010  -2.820   0.871
  276    HE2  PHE  34           HE2      PHE  34  51.968  -2.967   2.551
  277    HZ   PHE  34           HZ       PHE  34  49.535  -2.550   2.830
  278    H    GLY  35           HN       GLY  35  53.063  -3.913  -3.904
  279    HA2  GLY  35           HA2      GLY  35  54.339  -5.586  -5.448
  280    HA3  GLY  35           HA1      GLY  35  52.669  -5.623  -6.165
  281    H    ASP  36           HN       ASP  36  52.678  -4.329  -7.910
  282    HA   ASP  36           HA       ASP  36  54.339  -2.089  -8.152
  283    HB2  ASP  36           HB2      ASP  36  53.099  -1.714 -10.331
  284    HB3  ASP  36           HB1      ASP  36  53.810  -3.344 -10.123
  285    H    LYS  37           HN       LYS  37  51.814  -2.320  -6.166
  286    HA   LYS  37           HA       LYS  37  50.173  -0.167  -6.467
  287    HB2  LYS  37           HB2      LYS  37  49.979  -2.158  -4.914
  288    HB3  LYS  37           HB1      LYS  37  51.256  -1.412  -3.914
  289    HG2  LYS  37           HG2      LYS  37  49.198  -1.024  -2.866
  290    HG3  LYS  37           HG1      LYS  37  49.704   0.574  -3.499
  291    HD2  LYS  37           HD2      LYS  37  47.780  -1.218  -5.098
  292    HD3  LYS  37           HD1      LYS  37  47.199  -0.320  -3.654
  293    HE2  LYS  37           HE2      LYS  37  47.955   1.840  -4.621
  294    HE3  LYS  37           HE1      LYS  37  48.480   1.007  -6.132
  295    HZ1  LYS  37           HZ1      LYS  37  46.222   0.257  -6.453
  296    HZ2  LYS  37           HZ2      LYS  37  46.310   1.949  -6.361
  297    HZ3  LYS  37           HZ3      LYS  37  45.717   1.058  -5.042
  298    H    LEU  38           HN       LEU  38  53.431  -0.444  -4.964
  299    HA   LEU  38           HA       LEU  38  53.425   2.269  -4.004
  300    HB2  LEU  38           HB2      LEU  38  54.743   0.348  -2.839
  301    HB3  LEU  38           HB1      LEU  38  55.740   0.238  -4.240
  302    HG   LEU  38           HG       LEU  38  55.538   2.996  -3.024
  303   HD11  LEU  38          HD11      LEU  38  56.974   0.725  -1.528
  304   HD12  LEU  38          HD12      LEU  38  55.507   1.606  -0.968
  305   HD13  LEU  38          HD13      LEU  38  57.074   2.478  -1.139
  306   HD21  LEU  38          HD21      LEU  38  57.929   1.261  -3.915
  307   HD22  LEU  38          HD22      LEU  38  58.013   2.995  -3.412
  308   HD23  LEU  38          HD23      LEU  38  57.106   2.529  -4.901
  309    H    LEU  39           HN       LEU  39  54.516   0.604  -6.949
  310    HA   LEU  39           HA       LEU  39  56.195   2.670  -7.821
  311    HB2  LEU  39           HB2      LEU  39  54.660   0.602  -9.479
  312    HB3  LEU  39           HB1      LEU  39  56.014   1.621 -10.060
  313    HG   LEU  39           HG       LEU  39  56.128  -0.540  -7.869
  314   HD11  LEU  39          HD11      LEU  39  55.878  -1.429 -10.176
  315   HD12  LEU  39          HD12      LEU  39  57.516  -1.797  -9.511
  316   HD13  LEU  39          HD13      LEU  39  57.307  -0.465 -10.713
  317   HD21  LEU  39          HD21      LEU  39  58.426   1.204  -8.969
  318   HD22  LEU  39          HD22      LEU  39  58.621  -0.246  -7.915
  319   HD23  LEU  39          HD23      LEU  39  57.780   1.210  -7.283
  320    H    GLU  40           HN       GLU  40  52.732   1.930  -8.493
  321    HA   GLU  40           HA       GLU  40  52.426   4.057 -10.324
  322    HB2  GLU  40           HB2      GLU  40  49.980   3.650 -10.095
  323    HB3  GLU  40           HB1      GLU  40  50.913   2.161 -10.494
  324    HG2  GLU  40           HG2      GLU  40  50.783   1.464  -8.087
  325    HG3  GLU  40           HG1      GLU  40  49.870   2.937  -7.686
  326    H    TYR  41           HN       TYR  41  51.907   3.814  -6.775
  327    HA   TYR  41           HA       TYR  41  50.445   6.272  -6.644
  328    HB2  TYR  41           HB2      TYR  41  51.533   4.174  -4.699
  329    HB3  TYR  41           HB1      TYR  41  51.249   5.769  -4.039
  330    HD1  TYR  41           HD1      TYR  41  48.929   4.615  -6.790
  331    HD2  TYR  41           HD2      TYR  41  49.578   5.078  -2.545
  332    HE1  TYR  41           HE1      TYR  41  46.550   4.306  -6.396
  333    HE2  TYR  41           HE2      TYR  41  47.176   4.707  -2.169
  334    HH   TYR  41           HH       TYR  41  44.887   4.171  -4.870
  335    H    GLU  42           HN       GLU  42  53.749   5.371  -6.785
  336    HA   GLU  42           HA       GLU  42  54.839   7.747  -5.581
  337    HB2  GLU  42           HB2      GLU  42  56.039   5.599  -5.583
  338    HB3  GLU  42           HB1      GLU  42  56.059   5.586  -7.382
  339    HG2  GLU  42           HG2      GLU  42  57.510   7.693  -7.316
  340    HG3  GLU  42           HG1      GLU  42  57.530   7.565  -5.516
  341    H    LEU  43           HN       LEU  43  54.133   6.517  -8.859
  342    HA   LEU  43           HA       LEU  43  55.070   8.826 -10.225
  343    HB2  LEU  43           HB2      LEU  43  53.276   6.447 -10.964
  344    HB3  LEU  43           HB1      LEU  43  53.725   7.693 -12.165
  345    HG   LEU  43           HG       LEU  43  55.767   5.999 -10.611
  346   HD11  LEU  43          HD11      LEU  43  54.658   5.543 -13.452
  347   HD12  LEU  43          HD12      LEU  43  54.322   4.529 -11.997
  348   HD13  LEU  43          HD13      LEU  43  55.995   4.620 -12.664
  349   HD21  LEU  43          HD21      LEU  43  56.096   7.763 -13.120
  350   HD22  LEU  43          HD22      LEU  43  57.365   6.707 -12.394
  351   HD23  LEU  43          HD23      LEU  43  56.738   8.117 -11.471
  352    H    LEU  44           HN       LEU  44  52.148   8.018  -8.502
  353    HA   LEU  44           HA       LEU  44  50.379   9.639 -10.011
  354    HB2  LEU  44           HB2      LEU  44  49.590   7.629  -8.931
  355    HB3  LEU  44           HB1      LEU  44  50.163   8.225  -7.346
  356    HG   LEU  44           HG       LEU  44  48.433   9.878  -7.228
  357   HD11  LEU  44          HD11      LEU  44  46.642  10.136  -8.987
  358   HD12  LEU  44          HD12      LEU  44  47.563   9.033 -10.077
  359   HD13  LEU  44          HD13      LEU  44  48.256  10.631  -9.605
  360   HD21  LEU  44          HD21      LEU  44  46.409   8.404  -7.207
  361   HD22  LEU  44          HD22      LEU  44  47.862   7.585  -6.516
  362   HD23  LEU  44          HD23      LEU  44  47.298   7.176  -8.179
  363    H    GLY  45           HN       GLY  45  51.214   9.893  -6.450
  364    HA2  GLY  45           HA2      GLY  45  52.508  12.111  -6.260
  365    HA3  GLY  45           HA1      GLY  45  50.885  12.776  -6.709
  366    H    LYS  46           HN       LYS  46  50.439   9.884  -5.030
  367    HA   LYS  46           HA       LYS  46  49.446  11.240  -2.729
  368    HB2  LYS  46           HB2      LYS  46  49.679   8.301  -3.465
  369    HB3  LYS  46           HB1      LYS  46  48.975   8.901  -1.919
  370    HG2  LYS  46           HG2      LYS  46  47.367  10.293  -3.197
  371    HG3  LYS  46           HG1      LYS  46  47.976   9.630  -4.753
  372    HD2  LYS  46           HD2      LYS  46  47.085   7.439  -4.282
  373    HD3  LYS  46           HD1      LYS  46  46.990   7.782  -2.523
  374    HE2  LYS  46           HE2      LYS  46  44.713   7.843  -3.387
  375    HE3  LYS  46           HE1      LYS  46  45.252   9.519  -2.916
  376    HZ1  LYS  46           HZ1      LYS  46  44.070   9.487  -5.002
  377    HZ2  LYS  46           HZ2      LYS  46  45.197   8.408  -5.675
  378    HZ3  LYS  46           HZ3      LYS  46  45.683   9.972  -5.224
  379    H    ILE  47           HN       ILE  47  52.027   8.842  -3.412
  380    HA   ILE  47           HA       ILE  47  53.621   9.824  -1.133
  381    HB   ILE  47           HB       ILE  47  54.910   7.715  -1.403
  382   HG12  ILE  47          HG12      ILE  47  52.484   6.973  -3.163
  383   HG13  ILE  47          HG11      ILE  47  54.160   7.215  -3.739
  384   HG21  ILE  47          HG21      ILE  47  51.938   7.294  -0.693
  385   HG22  ILE  47          HG22      ILE  47  53.142   8.126   0.379
  386   HG23  ILE  47          HG23      ILE  47  53.385   6.401  -0.084
  387   HD11  ILE  47           HD1      ILE  47  54.937   5.370  -2.413
  388   HD12  ILE  47           HD2      ILE  47  53.656   4.807  -3.540
  389   HD13  ILE  47           HD3      ILE  47  53.295   5.003  -1.779
  390    H    LYS  48           HN       LYS  48  55.987   9.830  -1.745
  391    HA   LYS  48           HA       LYS  48  56.506   9.641  -4.593
  392    HB2  LYS  48           HB2      LYS  48  57.619  11.929  -2.839
  393    HB3  LYS  48           HB1      LYS  48  58.078  11.622  -4.548
  394    HG2  LYS  48           HG2      LYS  48  55.745  12.123  -5.272
  395    HG3  LYS  48           HG1      LYS  48  55.289  12.494  -3.572
  396    HD2  LYS  48           HD2      LYS  48  57.450  13.966  -5.202
  397    HD3  LYS  48           HD1      LYS  48  55.756  14.527  -4.949
  398    HE2  LYS  48           HE2      LYS  48  56.171  14.638  -2.456
  399    HE3  LYS  48           HE1      LYS  48  57.892  14.143  -2.736
  400    HZ1  LYS  48           HZ1      LYS  48  58.177  16.101  -4.093
  401    HZ2  LYS  48           HZ2      LYS  48  57.659  16.505  -2.527
  402    HZ3  LYS  48           HZ3      LYS  48  56.567  16.569  -3.826
  403    H    ARG  49           HN       ARG  49  59.156   9.820  -4.664
  404    HA   ARG  49           HA       ARG  49  60.446   8.882  -2.309
  405    HB2  ARG  49           HB2      ARG  49  59.525   6.708  -3.159
  406    HB3  ARG  49           HB1      ARG  49  60.272   7.007  -4.757
  407    HG2  ARG  49           HG2      ARG  49  62.077   7.010  -2.300
  408    HG3  ARG  49           HG1      ARG  49  61.352   5.460  -2.829
  409    HD2  ARG  49           HD2      ARG  49  62.349   5.740  -5.121
  410    HD3  ARG  49           HD1      ARG  49  63.126   7.290  -4.580
  411    HE   ARG  49           HE       ARG  49  63.690   4.928  -2.870
  412   HH11  ARG  49          HH11      ARG  49  65.851   4.067  -2.911
  413   HH12  ARG  49          HH12      ARG  49  66.987   4.608  -4.101
  414   HH21  ARG  49          HH21      ARG  49  64.746   6.861  -5.693
  415   HH22  ARG  49          HH22      ARG  49  66.352   6.214  -5.700
  416    H    ILE  50           HN       ILE  50  62.690   9.469  -2.556
  417    HA   ILE  50           HA       ILE  50  63.613  10.106  -5.192
  418    HB   ILE  50           HB       ILE  50  62.461  12.178  -4.723
  419   HG12  ILE  50          HG12      ILE  50  64.320  13.820  -4.815
  420   HG13  ILE  50          HG11      ILE  50  65.503  12.546  -4.391
  421   HG21  ILE  50          HG21      ILE  50  62.332  11.998  -2.233
  422   HG22  ILE  50          HG22      ILE  50  62.937  13.598  -2.782
  423   HG23  ILE  50          HG23      ILE  50  64.090  12.395  -2.115
  424   HD11  ILE  50           HD1      ILE  50  63.693  12.548  -6.906
  425   HD12  ILE  50           HD2      ILE  50  64.964  11.325  -6.522
  426   HD13  ILE  50           HD3      ILE  50  65.430  13.029  -6.862
  427    H    ASN  51           HN       ASN  51  64.111  10.033  -1.644
  428    HA   ASN  51           HA       ASN  51  66.948  10.157  -1.959
  429    HB2  ASN  51           HB2      ASN  51  65.752  11.301  -0.086
  430    HB3  ASN  51           HB1      ASN  51  65.188   9.723   0.540
  431   HD21  ASN  51          HD21      ASN  51  68.016   9.853   2.707
  432   HD22  ASN  51          HD22      ASN  51  66.292   9.842   2.540
  433    H    HIS  52           HN       HIS  52  65.359   7.884   0.271
  434    HA   HIS  52           HA       HIS  52  66.533   5.611  -1.177
  435    HB2  HIS  52           HB2      HIS  52  66.510   6.088   1.869
  436    HB3  HIS  52           HB1      HIS  52  67.073   4.589   1.042
  437    HD1  HIS  52           HD1      HIS  52  69.038   5.340  -0.933
  438    HD2  HIS  52           HD2      HIS  52  68.640   7.678   2.530
  439    HE1  HIS  52           HE1      HIS  52  71.192   6.644  -0.652
  440    HE2  HIS  52           HE2      HIS  52  70.907   8.045   1.440
  441    H    ILE  53           HN       ILE  53  64.124   7.058   1.028
  442    HA   ILE  53           HA       ILE  53  62.461   4.648   0.806
  443    HB   ILE  53           HB       ILE  53  61.528   5.282   2.981
  444   HG12  ILE  53          HG12      ILE  53  63.967   7.166   3.225
  445   HG13  ILE  53          HG11      ILE  53  62.289   7.724   2.895
  446   HG21  ILE  53          HG21      ILE  53  64.552   4.650   2.891
  447   HG22  ILE  53          HG22      ILE  53  63.209   3.472   2.640
  448   HG23  ILE  53          HG23      ILE  53  63.425   4.266   4.236
  449   HD11  ILE  53           HD1      ILE  53  61.522   6.511   4.966
  450   HD12  ILE  53           HD2      ILE  53  62.620   7.916   5.289
  451   HD13  ILE  53           HD3      ILE  53  63.248   6.227   5.410
  452    H    VAL  54           HN       VAL  54  60.055   5.274   1.243
  453    HA   VAL  54           HA       VAL  54  59.396   7.317  -0.602
  454    HB   VAL  54           HB       VAL  54  57.001   7.016   0.175
  455   HG11  VAL  54          HG11      VAL  54  58.006   5.848  -1.808
  456   HG12  VAL  54          HG12      VAL  54  56.660   4.959  -1.003
  457   HG13  VAL  54          HG13      VAL  54  58.349   4.443  -0.725
  458   HG21  VAL  54          HG21      VAL  54  56.485   5.026   1.591
  459   HG22  VAL  54          HG22      VAL  54  57.459   6.218   2.514
  460   HG23  VAL  54          HG23      VAL  54  58.238   4.729   1.866
  461    H    VAL  55           HN       VAL  55  58.120   9.233  -0.093
  462    HA   VAL  55           HA       VAL  55  58.137  10.055   2.725
  463    HB   VAL  55           HB       VAL  55  58.073  12.417   1.945
  464   HG11  VAL  55          HG11      VAL  55  60.600  10.836   1.115
  465   HG12  VAL  55          HG12      VAL  55  60.171  11.343   2.792
  466   HG13  VAL  55          HG13      VAL  55  60.519  12.586   1.534
  467   HG21  VAL  55          HG21      VAL  55  57.283  12.040  -0.417
  468   HG22  VAL  55          HG22      VAL  55  58.840  11.220  -0.815
  469   HG23  VAL  55          HG23      VAL  55  58.822  12.963  -0.381
  470    H    LEU  56           HN       LEU  56  56.127  11.177   3.280
  471    HA   LEU  56           HA       LEU  56  53.871  10.375   1.590
  472    HB2  LEU  56           HB2      LEU  56  54.047  11.808   4.304
  473    HB3  LEU  56           HB1      LEU  56  52.503  11.498   3.449
  474    HG   LEU  56           HG       LEU  56  54.375   9.216   4.294
  475   HD11  LEU  56          HD11      LEU  56  52.918   8.961   6.316
  476   HD12  LEU  56          HD12      LEU  56  52.048  10.477   5.884
  477   HD13  LEU  56          HD13      LEU  56  53.798  10.533   6.320
  478   HD21  LEU  56          HD21      LEU  56  52.270   7.869   4.188
  479   HD22  LEU  56          HD22      LEU  56  52.700   8.584   2.588
  480   HD23  LEU  56          HD23      LEU  56  51.377   9.309   3.578
  481    H    ALA  57           HN       ALA  57  52.520  11.999   0.667
  482    HA   ALA  57           HA       ALA  57  53.613  14.682   0.475
  483    HB1  ALA  57           HB1      ALA  57  50.912  13.570  -0.493
  484    HB2  ALA  57           HB2      ALA  57  52.378  13.799  -1.511
  485    HB3  ALA  57           HB3      ALA  57  51.543  15.231  -0.808
  486    H    HIS  58           HN       HIS  58  52.893  16.386   1.771
  487    HA   HIS  58           HA       HIS  58  51.959  15.561   4.288
  488    HB2  HIS  58           HB2      HIS  58  52.512  18.384   3.202
  489    HB3  HIS  58           HB1      HIS  58  52.159  17.983   4.922
  490    HD1  HIS  58           HD1      HIS  58  54.787  17.149   2.258
  491    HD2  HIS  58           HD2      HIS  58  54.339  17.240   6.431
  492    HE1  HIS  58           HE1      HIS  58  57.059  16.671   3.272
  493    HE2  HIS  58           HE2      HIS  58  56.744  16.731   5.785
  494    H    HIS  59           HN       HIS  59  50.628  18.074   2.025
  495    HA   HIS  59           HA       HIS  59  47.975  17.624   3.169
  496    HB2  HIS  59           HB2      HIS  59  48.746  19.987   2.882
  497    HB3  HIS  59           HB1      HIS  59  48.960  19.688   1.124
  498    HD1  HIS  59           HD1      HIS  59  47.166  21.772   1.142
  499    HD2  HIS  59           HD2      HIS  59  45.657  18.039   2.330
  500    HE1  HIS  59           HE1      HIS  59  44.639  21.890   0.975
  501    HE2  HIS  59           HE2      HIS  59  43.772  19.623   1.704
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  38.816 -19.678  -9.078
    2    H2   MET   1           HT2      MET   1  38.723 -18.417 -10.214
    3    H3   MET   1           HT3      MET   1  39.974 -19.563 -10.316
    4    HA   MET   1           HA       MET   1  37.109 -20.065 -10.644
    5    HB2  MET   1           HB2      MET   1  37.464 -20.406 -13.015
    6    HB3  MET   1           HB1      MET   1  38.117 -18.807 -12.570
    7    HG2  MET   1           HG2      MET   1  39.787 -21.371 -12.999
    8    HG3  MET   1           HG1      MET   1  39.475 -20.116 -14.224
    9    HE1  MET   1           HE1      MET   1  43.286 -19.852 -13.529
   10    HE2  MET   1           HE2      MET   1  41.980 -20.122 -14.733
   11    HE3  MET   1           HE3      MET   1  42.262 -21.325 -13.427
   12    H    LEU   2           HN       LEU   2  36.968 -22.245 -12.078
   13    HA   LEU   2           HA       LEU   2  36.990 -24.361 -12.122
   14    HB2  LEU   2           HB2      LEU   2  39.452 -24.270 -12.528
   15    HB3  LEU   2           HB1      LEU   2  39.729 -24.461 -10.774
   16    HG   LEU   2           HG       LEU   2  38.470 -26.679 -10.889
   17   HD11  LEU   2          HD11      LEU   2  38.666 -26.260 -13.941
   18   HD12  LEU   2          HD12      LEU   2  37.149 -26.365 -12.969
   19   HD13  LEU   2          HD13      LEU   2  38.224 -27.800 -13.114
   20   HD21  LEU   2          HD21      LEU   2  40.951 -26.558 -10.849
   21   HD22  LEU   2          HD22      LEU   2  40.990 -26.439 -12.650
   22   HD23  LEU   2          HD23      LEU   2  40.380 -27.941 -11.857
   23    H    LYS   3           HN       LYS   3  38.808 -24.625  -9.052
   24    HA   LYS   3           HA       LYS   3  36.313 -24.736  -7.568
   25    HB2  LYS   3           HB2      LYS   3  36.864 -27.081  -8.420
   26    HB3  LYS   3           HB1      LYS   3  38.376 -27.036  -7.469
   27    HG2  LYS   3           HG2      LYS   3  35.594 -26.580  -6.207
   28    HG3  LYS   3           HG1      LYS   3  36.213 -28.228  -6.559
   29    HD2  LYS   3           HD2      LYS   3  38.162 -27.887  -5.085
   30    HD3  LYS   3           HD1      LYS   3  37.608 -26.225  -4.686
   31    HE2  LYS   3           HE2      LYS   3  35.488 -27.146  -3.698
   32    HE3  LYS   3           HE1      LYS   3  36.037 -28.827  -4.095
   33    HZ1  LYS   3           HZ1      LYS   3  37.424 -26.907  -2.300
   34    HZ2  LYS   3           HZ2      LYS   3  37.936 -28.483  -2.670
   35    HZ3  LYS   3           HZ3      LYS   3  36.482 -28.239  -1.826
   36    H    ASP   4           HN       ASP   4  36.617 -23.466  -5.845
   37    HA   ASP   4           HA       ASP   4  39.341 -23.160  -4.763
   38    HB2  ASP   4           HB2      ASP   4  37.067 -21.074  -4.830
   39    HB3  ASP   4           HB1      ASP   4  38.683 -20.844  -4.060
   40    H    TYR   5           HN       TYR   5  39.047 -22.297  -2.359
   41    HA   TYR   5           HA       TYR   5  37.261 -24.243  -1.098
   42    HB2  TYR   5           HB2      TYR   5  39.648 -22.784   0.097
   43    HB3  TYR   5           HB1      TYR   5  38.741 -24.163   0.837
   44    HD1  TYR   5           HD1      TYR   5  38.611 -26.335  -0.670
   45    HD2  TYR   5           HD2      TYR   5  41.566 -23.251  -1.147
   46    HE1  TYR   5           HE1      TYR   5  40.076 -27.927  -1.856
   47    HE2  TYR   5           HE2      TYR   5  43.034 -24.836  -2.336
   48    HH   TYR   5           HH       TYR   5  43.292 -26.934  -3.117
   49    H    HIS   6           HN       HIS   6  37.825 -22.577   1.438
   50    HA   HIS   6           HA       HIS   6  35.531 -20.822   1.199
   51    HB2  HIS   6           HB2      HIS   6  37.222 -21.792   3.537
   52    HB3  HIS   6           HB1      HIS   6  35.870 -20.631   3.711
   53    HD1  HIS   6           HD1      HIS   6  36.449 -24.244   2.586
   54    HD2  HIS   6           HD2      HIS   6  33.359 -21.761   3.967
   55    HE1  HIS   6           HE1      HIS   6  34.417 -25.710   2.967
   56    HE2  HIS   6           HE2      HIS   6  32.579 -24.175   3.796
   57    H    LEU   7           HN       LEU   7  38.691 -20.469   0.371
   58    HA   LEU   7           HA       LEU   7  39.541 -18.424   2.087
   59    HB2  LEU   7           HB2      LEU   7  40.549 -19.073  -0.752
   60    HB3  LEU   7           HB1      LEU   7  41.422 -18.097   0.480
   61    HG   LEU   7           HG       LEU   7  40.717 -21.088   0.674
   62   HD11  LEU   7          HD11      LEU   7  43.141 -21.498   0.349
   63   HD12  LEU   7          HD12      LEU   7  43.431 -19.728   0.148
   64   HD13  LEU   7          HD13      LEU   7  42.431 -20.623  -1.059
   65   HD21  LEU   7          HD21      LEU   7  42.401 -19.355   2.590
   66   HD22  LEU   7          HD22      LEU   7  42.240 -21.151   2.651
   67   HD23  LEU   7          HD23      LEU   7  40.802 -20.115   2.947
   68    H    LYS   8           HN       LYS   8  38.825 -16.367   2.158
   69    HA   LYS   8           HA       LYS   8  38.280 -14.961  -0.313
   70    HB2  LYS   8           HB2      LYS   8  36.062 -15.956   0.362
   71    HB3  LYS   8           HB1      LYS   8  36.222 -15.193   1.973
   72    HG2  LYS   8           HG2      LYS   8  36.244 -12.919   0.863
   73    HG3  LYS   8           HG1      LYS   8  36.071 -13.709  -0.741
   74    HD2  LYS   8           HD2      LYS   8  34.046 -13.902   1.582
   75    HD3  LYS   8           HD1      LYS   8  33.942 -12.753   0.201
   76    HE2  LYS   8           HE2      LYS   8  33.777 -14.684  -1.411
   77    HE3  LYS   8           HE1      LYS   8  33.824 -15.843  -0.020
   78    HZ1  LYS   8           HZ1      LYS   8  31.830 -14.818   0.833
   79    HZ2  LYS   8           HZ2      LYS   8  31.600 -15.400  -0.746
   80    HZ3  LYS   8           HZ3      LYS   8  31.782 -13.733  -0.473
   81    H    GLU   9           HN       GLU   9  40.126 -13.771   0.130
   82    HA   GLU   9           HA       GLU   9  40.079 -12.148   2.562
   83    HB2  GLU   9           HB2      GLU   9  42.465 -11.683   2.112
   84    HB3  GLU   9           HB1      GLU   9  42.143 -13.433   2.337
   85    HG2  GLU   9           HG2      GLU   9  42.211 -13.821  -0.122
   86    HG3  GLU   9           HG1      GLU   9  42.466 -12.059  -0.406
   87    H    MET  10           HN       MET  10  41.454  -9.940   1.675
   88    HA   MET  10           HA       MET  10  39.878  -8.957  -0.621
   89    HB2  MET  10           HB2      MET  10  40.723  -7.443   1.896
   90    HB3  MET  10           HB1      MET  10  40.095  -6.687   0.390
   91    HG2  MET  10           HG2      MET  10  38.238  -6.750   1.776
   92    HG3  MET  10           HG1      MET  10  37.994  -8.110   0.641
   93    HE1  MET  10           HE1      MET  10  36.216  -7.710   3.080
   94    HE2  MET  10           HE2      MET  10  36.119  -9.372   3.759
   95    HE3  MET  10           HE3      MET  10  36.127  -9.129   1.978
   96    HA   PRO  11           HA       PRO  11  44.385  -8.535  -1.405
   97    HB2  PRO  11           HB2      PRO  11  44.523  -9.489  -3.989
   98    HB3  PRO  11           HB1      PRO  11  44.296 -10.614  -2.594
   99    HG2  PRO  11           HG1      PRO  11  42.130  -9.473  -4.440
  100    HG3  PRO  11           HG2      PRO  11  42.398 -11.201  -3.964
  101    HD2  PRO  11           HD1      PRO  11  40.595  -9.478  -2.664
  102    HD3  PRO  11           HD2      PRO  11  41.455 -10.837  -1.806
  103    H    GLU  12           HN       GLU  12  41.509  -7.097  -2.591
  104    HA   GLU  12           HA       GLU  12  42.907  -5.284  -4.418
  105    HB2  GLU  12           HB2      GLU  12  39.899  -5.715  -3.947
  106    HB3  GLU  12           HB1      GLU  12  40.633  -4.634  -5.184
  107    HG2  GLU  12           HG2      GLU  12  40.814  -7.719  -5.068
  108    HG3  GLU  12           HG1      GLU  12  39.817  -6.740  -6.201
  109    H    MET  13           HN       MET  13  43.831  -4.737  -2.084
  110    HA   MET  13           HA       MET  13  42.186  -2.694  -0.788
  111    HB2  MET  13           HB2      MET  13  43.913  -2.864   1.041
  112    HB3  MET  13           HB1      MET  13  42.925  -4.345   0.801
  113    HG2  MET  13           HG2      MET  13  44.688  -5.460  -0.449
  114    HG3  MET  13           HG1      MET  13  45.627  -3.938  -0.531
  115    HE1  MET  13           HE1      MET  13  46.565  -6.930   0.284
  116    HE2  MET  13           HE2      MET  13  47.793  -6.497   1.524
  117    HE3  MET  13           HE3      MET  13  47.631  -5.506   0.034
  118    H    GLU  14           HN       GLU  14  43.405  -0.651  -0.180
  119    HA   GLU  14           HA       GLU  14  45.770  -0.100  -1.683
  120    HB2  GLU  14           HB2      GLU  14  44.859   1.627  -3.157
  121    HB3  GLU  14           HB1      GLU  14  43.994   0.087  -3.469
  122    HG2  GLU  14           HG2      GLU  14  42.025   0.864  -2.150
  123    HG3  GLU  14           HG1      GLU  14  42.861   2.414  -1.773
  124    H    ASP  15           HN       ASP  15  43.177   0.747   0.496
  125    HA   ASP  15           HA       ASP  15  44.501   3.220   1.234
  126    HB2  ASP  15           HB2      ASP  15  42.754   3.714   2.725
  127    HB3  ASP  15           HB1      ASP  15  42.043   3.251   1.146
  128    H    GLU  16           HN       GLU  16  44.345  -0.145   2.167
  129    HA   GLU  16           HA       GLU  16  45.547   0.076   4.695
  130    HB2  GLU  16           HB2      GLU  16  45.610  -2.141   2.727
  131    HB3  GLU  16           HB1      GLU  16  46.263  -2.253   4.399
  132    HG2  GLU  16           HG2      GLU  16  43.960  -1.704   5.302
  133    HG3  GLU  16           HG1      GLU  16  43.314  -1.709   3.618
  134    H    PHE  17           HN       PHE  17  46.767   0.016   1.316
  135    HA   PHE  17           HA       PHE  17  49.499  -0.062   1.927
  136    HB2  PHE  17           HB2      PHE  17  48.611  -0.500  -0.370
  137    HB3  PHE  17           HB1      PHE  17  47.968   1.165  -0.455
  138    HD1  PHE  17           HD1      PHE  17  51.130  -0.820  -0.275
  139    HD2  PHE  17           HD2      PHE  17  49.319   2.976  -1.113
  140    HE1  PHE  17           HE1      PHE  17  53.254  -0.033  -1.283
  141    HE2  PHE  17           HE2      PHE  17  51.461   3.783  -2.055
  142    HZ   PHE  17           HZ       PHE  17  53.446   2.305  -2.060
  143    H    LEU  18           HN       LEU  18  47.135   2.644   1.668
  144    HA   LEU  18           HA       LEU  18  49.042   4.684   1.763
  145    HB2  LEU  18           HB2      LEU  18  46.033   4.479   2.154
  146    HB3  LEU  18           HB1      LEU  18  46.803   6.041   2.454
  147    HG   LEU  18           HG       LEU  18  47.074   4.450  -0.164
  148   HD11  LEU  18          HD11      LEU  18  44.697   5.126   0.252
  149   HD12  LEU  18          HD12      LEU  18  45.419   5.991  -1.148
  150   HD13  LEU  18          HD13      LEU  18  45.219   6.843   0.431
  151   HD21  LEU  18          HD21      LEU  18  47.872   6.591  -1.163
  152   HD22  LEU  18          HD22      LEU  18  48.964   6.040   0.149
  153   HD23  LEU  18          HD23      LEU  18  47.801   7.385   0.455
  154    H    GLU  19           HN       GLU  19  47.676   2.745   4.393
  155    HA   GLU  19           HA       GLU  19  48.350   4.814   6.358
  156    HB2  GLU  19           HB2      GLU  19  47.091   2.022   6.631
  157    HB3  GLU  19           HB1      GLU  19  47.413   3.158   7.997
  158    HG2  GLU  19           HG2      GLU  19  45.910   4.857   6.921
  159    HG3  GLU  19           HG1      GLU  19  45.507   3.693   5.623
  160    H    TYR  20           HN       TYR  20  49.561   1.953   4.817
  161    HA   TYR  20           HA       TYR  20  51.361   1.132   6.908
  162    HB2  TYR  20           HB2      TYR  20  50.843   0.433   3.958
  163    HB3  TYR  20           HB1      TYR  20  52.230  -0.249   4.753
  164    HD1  TYR  20           HD1      TYR  20  49.060   0.132   6.738
  165    HD2  TYR  20           HD2      TYR  20  51.690  -2.476   4.579
  166    HE1  TYR  20           HE1      TYR  20  47.851  -1.812   7.635
  167    HE2  TYR  20           HE2      TYR  20  50.471  -4.441   5.451
  168    HH   TYR  20           HH       TYR  20  47.644  -4.056   7.642
  169    H    CYS  21           HN       CYS  21  51.244   3.307   4.269
  170    HA   CYS  21           HA       CYS  21  53.971   3.218   3.641
  171    HB2  CYS  21           HB2      CYS  21  51.915   5.424   3.041
  172    HB3  CYS  21           HB1      CYS  21  53.624   5.575   2.545
  173    HG   CYS  21           HG1      CYS  21  52.269   4.930   0.502
  174    H    ALA  22           HN       ALA  22  52.263   4.571   6.264
  175    HA   ALA  22           HA       ALA  22  53.884   6.768   6.952
  176    HB1  ALA  22           HB1      ALA  22  52.666   6.639   9.127
  177    HB2  ALA  22           HB2      ALA  22  52.038   5.004   8.675
  178    HB3  ALA  22           HB3      ALA  22  51.524   6.454   7.742
  179    H    LYS  23           HN       LYS  23  54.430   3.394   6.986
  180    HA   LYS  23           HA       LYS  23  56.671   3.592   8.838
  181    HB2  LYS  23           HB2      LYS  23  55.324   1.436   8.820
  182    HB3  LYS  23           HB1      LYS  23  55.711   1.254   7.086
  183    HG2  LYS  23           HG2      LYS  23  58.244   1.329   7.858
  184    HG3  LYS  23           HG1      LYS  23  57.594   1.144   9.518
  185    HD2  LYS  23           HD2      LYS  23  58.228  -1.039   8.736
  186    HD3  LYS  23           HD1      LYS  23  56.427  -0.996   8.722
  187    HE2  LYS  23           HE2      LYS  23  56.488  -0.596   6.208
  188    HE3  LYS  23           HE1      LYS  23  58.296  -0.628   6.265
  189    HZ1  LYS  23           HZ1      LYS  23  58.178  -2.883   7.062
  190    HZ2  LYS  23           HZ2      LYS  23  57.356  -2.716   5.587
  191    HZ3  LYS  23           HZ3      LYS  23  56.480  -2.852   7.037
  192    H    ASN  24           HN       ASN  24  57.487   5.322   7.606
  193    HA   ASN  24           HA       ASN  24  58.143   5.205   4.917
  194    HB2  ASN  24           HB2      ASN  24  59.406   6.943   7.112
  195    HB3  ASN  24           HB1      ASN  24  59.626   7.180   5.341
  196   HD21  ASN  24          HD21      ASN  24  57.564   7.496   4.026
  197   HD22  ASN  24          HD22      ASN  24  56.253   8.369   4.749
  198    HA   PRO  25           HA       PRO  25  62.548   3.741   6.108
  199    HB2  PRO  25           HB2      PRO  25  62.574   1.974   8.390
  200    HB3  PRO  25           HB1      PRO  25  63.221   3.671   8.351
  201    HG2  PRO  25           HG1      PRO  25  60.465   2.700   9.256
  202    HG3  PRO  25           HG2      PRO  25  61.544   3.924  10.051
  203    HD2  PRO  25           HD1      PRO  25  59.448   4.746   8.514
  204    HD3  PRO  25           HD2      PRO  25  61.057   5.565   8.299
  205    H    SER  26           HN       SER  26  63.171   1.882   5.000
  206    HA   SER  26           HA       SER  26  62.974   0.068   3.875
  207    HB2  SER  26           HB2      SER  26  61.441  -0.909   6.335
  208    HB3  SER  26           HB1      SER  26  61.867  -1.987   4.933
  209    HG   SER  26           HG1      SER  26  63.376  -2.058   6.592
  210    H    TYR  27           HN       TYR  27  61.818   1.646   2.534
  211    HA   TYR  27           HA       TYR  27  59.006   1.541   2.329
  212    HB2  TYR  27           HB2      TYR  27  59.188   3.053   0.560
  213    HB3  TYR  27           HB1      TYR  27  60.512   3.533   1.687
  214    HD1  TYR  27           HD1      TYR  27  59.707   3.405  -1.617
  215    HD2  TYR  27           HD2      TYR  27  62.833   1.961   0.957
  216    HE1  TYR  27           HE1      TYR  27  61.177   3.135  -3.563
  217    HE2  TYR  27           HE2      TYR  27  64.328   1.731  -0.981
  218    HH   TYR  27           HH       TYR  27  64.544   1.902  -3.216
  219    H    GLU  28           HN       GLU  28  61.686  -0.161   1.127
  220    HA   GLU  28           HA       GLU  28  60.764  -1.348  -1.185
  221    HB2  GLU  28           HB2      GLU  28  62.622  -3.108  -0.474
  222    HB3  GLU  28           HB1      GLU  28  63.086  -1.431  -0.901
  223    HG2  GLU  28           HG2      GLU  28  63.341  -0.747   1.411
  224    HG3  GLU  28           HG1      GLU  28  62.631  -2.270   2.041
  225    H    GLU  29           HN       GLU  29  60.247  -2.094   2.272
  226    HA   GLU  29           HA       GLU  29  59.226  -4.719   1.760
  227    HB2  GLU  29           HB2      GLU  29  59.128  -2.903   4.220
  228    HB3  GLU  29           HB1      GLU  29  58.466  -4.580   4.174
  229    HG2  GLU  29           HG2      GLU  29  60.700  -5.507   3.633
  230    HG3  GLU  29           HG1      GLU  29  61.415  -3.857   3.603
  231    H    ALA  30           HN       ALA  30  57.905  -1.397   1.956
  232    HA   ALA  30           HA       ALA  30  55.185  -2.289   2.101
  233    HB1  ALA  30           HB1      ALA  30  56.336   0.472   1.364
  234    HB2  ALA  30           HB2      ALA  30  55.844  -0.053   3.013
  235    HB3  ALA  30           HB3      ALA  30  54.604   0.106   1.720
  236    H    TYR  31           HN       TYR  31  57.574  -1.843  -0.428
  237    HA   TYR  31           HA       TYR  31  55.669  -1.620  -2.579
  238    HB2  TYR  31           HB2      TYR  31  57.884  -0.588  -2.933
  239    HB3  TYR  31           HB1      TYR  31  58.681  -1.975  -2.235
  240    HD1  TYR  31           HD1      TYR  31  56.116  -2.112  -4.962
  241    HD2  TYR  31           HD2      TYR  31  60.265  -2.379  -3.940
  242    HE1  TYR  31           HE1      TYR  31  56.571  -3.128  -7.162
  243    HE2  TYR  31           HE2      TYR  31  60.760  -3.316  -6.168
  244    HH   TYR  31           HH       TYR  31  59.922  -4.017  -8.138
  245    H    LEU  32           HN       LEU  32  58.017  -4.096  -1.438
  246    HA   LEU  32           HA       LEU  32  57.240  -5.906  -3.398
  247    HB2  LEU  32           HB2      LEU  32  58.884  -6.167  -0.832
  248    HB3  LEU  32           HB1      LEU  32  58.759  -7.484  -2.036
  249    HG   LEU  32           HG       LEU  32  59.734  -4.633  -2.723
  250   HD11  LEU  32          HD11      LEU  32  61.466  -7.096  -2.015
  251   HD12  LEU  32          HD12      LEU  32  61.235  -5.636  -0.982
  252   HD13  LEU  32          HD13      LEU  32  62.064  -5.488  -2.576
  253   HD21  LEU  32          HD21      LEU  32  60.040  -7.307  -4.241
  254   HD22  LEU  32          HD22      LEU  32  60.771  -5.729  -4.718
  255   HD23  LEU  32          HD23      LEU  32  58.983  -5.921  -4.708
  256    H    LYS  33           HN       LYS  33  56.048  -5.453  -0.141
  257    HA   LYS  33           HA       LYS  33  54.887  -7.994   0.239
  258    HB2  LYS  33           HB2      LYS  33  55.232  -6.336   2.107
  259    HB3  LYS  33           HB1      LYS  33  54.043  -5.254   1.370
  260    HG2  LYS  33           HG2      LYS  33  52.995  -8.030   1.897
  261    HG3  LYS  33           HG1      LYS  33  53.596  -7.180   3.364
  262    HD2  LYS  33           HD2      LYS  33  52.157  -5.274   2.913
  263    HD3  LYS  33           HD1      LYS  33  51.661  -5.962   1.327
  264    HE2  LYS  33           HE2      LYS  33  51.003  -7.135   4.117
  265    HE3  LYS  33           HE1      LYS  33  49.875  -6.278   2.995
  266    HZ1  LYS  33           HZ1      LYS  33  51.238  -8.848   2.428
  267    HZ2  LYS  33           HZ2      LYS  33  50.173  -8.023   1.395
  268    HZ3  LYS  33           HZ3      LYS  33  49.612  -8.643   2.874
  269    H    PHE  34           HN       PHE  34  53.709  -4.893  -1.126
  270    HA   PHE  34           HA       PHE  34  51.095  -5.938  -1.739
  271    HB2  PHE  34           HB2      PHE  34  52.491  -3.217  -2.185
  272    HB3  PHE  34           HB1      PHE  34  50.863  -3.573  -2.832
  273    HD1  PHE  34           HD1      PHE  34  48.935  -3.414  -1.402
  274    HD2  PHE  34           HD2      PHE  34  52.864  -3.489   0.323
  275    HE1  PHE  34           HE1      PHE  34  47.989  -2.825   0.811
  276    HE2  PHE  34           HE2      PHE  34  51.942  -2.937   2.509
  277    HZ   PHE  34           HZ       PHE  34  49.495  -2.543   2.774
  278    H    GLY  35           HN       GLY  35  53.115  -3.969  -3.924
  279    HA2  GLY  35           HA2      GLY  35  54.373  -5.617  -5.466
  280    HA3  GLY  35           HA1      GLY  35  52.686  -5.796  -6.109
  281    H    ASP  36           HN       ASP  36  52.250  -4.485  -7.759
  282    HA   ASP  36           HA       ASP  36  53.977  -2.348  -8.398
  283    HB2  ASP  36           HB2      ASP  36  51.309  -3.189  -9.667
  284    HB3  ASP  36           HB1      ASP  36  52.455  -1.986 -10.362
  285    H    LYS  37           HN       LYS  37  51.667  -2.406  -6.070
  286    HA   LYS  37           HA       LYS  37  50.073  -0.193  -6.450
  287    HB2  LYS  37           HB2      LYS  37  49.742  -2.054  -4.778
  288    HB3  LYS  37           HB1      LYS  37  51.114  -1.402  -3.857
  289    HG2  LYS  37           HG2      LYS  37  48.986  -0.716  -2.850
  290    HG3  LYS  37           HG1      LYS  37  49.903   0.713  -3.439
  291    HD2  LYS  37           HD2      LYS  37  47.525   0.999  -3.846
  292    HD3  LYS  37           HD1      LYS  37  48.410   0.910  -5.404
  293    HE2  LYS  37           HE2      LYS  37  47.645  -1.488  -5.693
  294    HE3  LYS  37           HE1      LYS  37  46.778  -1.388  -4.105
  295    HZ1  LYS  37           HZ1      LYS  37  46.258   0.290  -6.505
  296    HZ2  LYS  37           HZ2      LYS  37  45.436   0.382  -5.020
  297    HZ3  LYS  37           HZ3      LYS  37  45.326  -1.023  -5.966
  298    H    LEU  38           HN       LEU  38  53.343  -0.550  -4.965
  299    HA   LEU  38           HA       LEU  38  53.408   2.210  -4.136
  300    HB2  LEU  38           HB2      LEU  38  54.710   0.327  -2.897
  301    HB3  LEU  38           HB1      LEU  38  55.721   0.168  -4.294
  302    HG   LEU  38           HG       LEU  38  55.476   2.968  -3.202
  303   HD11  LEU  38          HD11      LEU  38  56.971   2.606  -1.269
  304   HD12  LEU  38          HD12      LEU  38  56.937   0.828  -1.546
  305   HD13  LEU  38          HD13      LEU  38  55.431   1.691  -1.072
  306   HD21  LEU  38          HD21      LEU  38  57.907   1.240  -3.983
  307   HD22  LEU  38          HD22      LEU  38  57.951   2.990  -3.538
  308   HD23  LEU  38          HD23      LEU  38  57.077   2.456  -5.023
  309    H    LEU  39           HN       LEU  39  54.430   0.379  -7.007
  310    HA   LEU  39           HA       LEU  39  56.167   2.318  -8.002
  311    HB2  LEU  39           HB2      LEU  39  54.458   0.294  -9.539
  312    HB3  LEU  39           HB1      LEU  39  55.834   1.227 -10.215
  313    HG   LEU  39           HG       LEU  39  55.962  -0.851  -7.947
  314   HD11  LEU  39          HD11      LEU  39  56.975  -0.962 -10.853
  315   HD12  LEU  39          HD12      LEU  39  55.526  -1.816 -10.198
  316   HD13  LEU  39          HD13      LEU  39  57.174  -2.252  -9.603
  317   HD21  LEU  39          HD21      LEU  39  58.467  -0.674  -8.178
  318   HD22  LEU  39          HD22      LEU  39  57.729   0.834  -7.541
  319   HD23  LEU  39          HD23      LEU  39  58.254   0.747  -9.266
  320    H    GLU  40           HN       GLU  40  52.642   1.777  -8.590
  321    HA   GLU  40           HA       GLU  40  52.467   3.880 -10.468
  322    HB2  GLU  40           HB2      GLU  40  49.998   3.595 -10.240
  323    HB3  GLU  40           HB1      GLU  40  50.867   2.059 -10.615
  324    HG2  GLU  40           HG2      GLU  40  50.701   1.426  -8.174
  325    HG3  GLU  40           HG1      GLU  40  49.834   2.937  -7.841
  326    H    TYR  41           HN       TYR  41  51.934   3.718  -6.919
  327    HA   TYR  41           HA       TYR  41  50.559   6.230  -6.817
  328    HB2  TYR  41           HB2      TYR  41  51.619   4.135  -4.840
  329    HB3  TYR  41           HB1      TYR  41  51.285   5.737  -4.208
  330    HD1  TYR  41           HD1      TYR  41  48.995   4.604  -6.961
  331    HD2  TYR  41           HD2      TYR  41  49.652   4.890  -2.704
  332    HE1  TYR  41           HE1      TYR  41  46.653   4.096  -6.571
  333    HE2  TYR  41           HE2      TYR  41  47.284   4.343  -2.329
  334    HH   TYR  41           HH       TYR  41  45.018   3.791  -5.055
  335    H    GLU  42           HN       GLU  42  53.845   5.187  -6.919
  336    HA   GLU  42           HA       GLU  42  54.964   7.558  -5.708
  337    HB2  GLU  42           HB2      GLU  42  56.117   5.377  -5.578
  338    HB3  GLU  42           HB1      GLU  42  56.265   5.335  -7.371
  339    HG2  GLU  42           HG2      GLU  42  57.724   7.421  -7.250
  340    HG3  GLU  42           HG1      GLU  42  57.567   7.391  -5.453
  341    H    LEU  43           HN       LEU  43  54.400   6.243  -8.977
  342    HA   LEU  43           HA       LEU  43  55.554   8.432 -10.363
  343    HB2  LEU  43           HB2      LEU  43  53.692   6.112 -11.113
  344    HB3  LEU  43           HB1      LEU  43  54.235   7.296 -12.337
  345    HG   LEU  43           HG       LEU  43  56.146   5.587 -10.642
  346   HD11  LEU  43          HD11      LEU  43  55.156   5.089 -13.520
  347   HD12  LEU  43          HD12      LEU  43  54.710   4.130 -12.058
  348   HD13  LEU  43          HD13      LEU  43  56.416   4.140 -12.642
  349   HD21  LEU  43          HD21      LEU  43  56.651   7.265 -13.182
  350   HD22  LEU  43          HD22      LEU  43  57.847   6.184 -12.373
  351   HD23  LEU  43          HD23      LEU  43  57.234   7.642 -11.516
  352    H    LEU  44           HN       LEU  44  52.484   7.851  -8.817
  353    HA   LEU  44           HA       LEU  44  50.967   9.658 -10.416
  354    HB2  LEU  44           HB2      LEU  44  49.898   7.709  -9.515
  355    HB3  LEU  44           HB1      LEU  44  50.432   8.127  -7.861
  356    HG   LEU  44           HG       LEU  44  48.874   9.935  -7.703
  357   HD11  LEU  44          HD11      LEU  44  48.968  10.921  -9.995
  358   HD12  LEU  44          HD12      LEU  44  47.265  10.561  -9.546
  359   HD13  LEU  44          HD13      LEU  44  48.148   9.465 -10.675
  360   HD21  LEU  44          HD21      LEU  44  48.019   7.622  -7.311
  361   HD22  LEU  44          HD22      LEU  44  47.464   7.531  -9.023
  362   HD23  LEU  44          HD23      LEU  44  46.718   8.728  -7.897
  363    H    GLY  45           HN       GLY  45  51.437   9.706  -6.795
  364    HA2  GLY  45           HA2      GLY  45  53.043  11.596  -6.274
  365    HA3  GLY  45           HA1      GLY  45  51.722  12.612  -6.982
  366    H    LYS  46           HN       LYS  46  51.142   9.619  -5.171
  367    HA   LYS  46           HA       LYS  46  49.723  11.139  -3.124
  368    HB2  LYS  46           HB2      LYS  46  49.882   8.136  -3.628
  369    HB3  LYS  46           HB1      LYS  46  48.848   8.951  -2.402
  370    HG2  LYS  46           HG2      LYS  46  47.711  10.214  -4.320
  371    HG3  LYS  46           HG1      LYS  46  48.700   9.248  -5.467
  372    HD2  LYS  46           HD2      LYS  46  46.578   8.230  -5.439
  373    HD3  LYS  46           HD1      LYS  46  47.648   7.136  -4.494
  374    HE2  LYS  46           HE2      LYS  46  46.642   8.021  -2.356
  375    HE3  LYS  46           HE1      LYS  46  45.659   9.208  -3.306
  376    HZ1  LYS  46           HZ1      LYS  46  44.568   7.370  -4.386
  377    HZ2  LYS  46           HZ2      LYS  46  44.405   7.268  -2.699
  378    HZ3  LYS  46           HZ3      LYS  46  45.492   6.247  -3.510
  379    H    ILE  47           HN       ILE  47  52.374   8.889  -3.745
  380    HA   ILE  47           HA       ILE  47  53.750   9.679  -1.270
  381    HB   ILE  47           HB       ILE  47  54.979   7.504  -1.512
  382   HG12  ILE  47          HG12      ILE  47  52.540   6.838  -3.274
  383   HG13  ILE  47          HG11      ILE  47  54.204   7.084  -3.886
  384   HG21  ILE  47          HG21      ILE  47  51.968   7.227  -0.884
  385   HG22  ILE  47          HG22      ILE  47  53.191   7.964   0.236
  386   HG23  ILE  47          HG23      ILE  47  53.340   6.236  -0.261
  387   HD11  ILE  47           HD1      ILE  47  55.008   5.241  -2.560
  388   HD12  ILE  47           HD2      ILE  47  53.739   4.677  -3.705
  389   HD13  ILE  47           HD3      ILE  47  53.366   4.848  -1.943
  390    H    LYS  48           HN       LYS  48  56.180   9.609  -1.765
  391    HA   LYS  48           HA       LYS  48  56.845   9.489  -4.580
  392    HB2  LYS  48           HB2      LYS  48  57.755  11.815  -2.754
  393    HB3  LYS  48           HB1      LYS  48  58.328  11.549  -4.430
  394    HG2  LYS  48           HG2      LYS  48  56.040  11.986  -5.305
  395    HG3  LYS  48           HG1      LYS  48  55.443  12.283  -3.634
  396    HD2  LYS  48           HD2      LYS  48  57.647  13.906  -5.044
  397    HD3  LYS  48           HD1      LYS  48  55.914  14.379  -4.907
  398    HE2  LYS  48           HE2      LYS  48  56.134  14.401  -2.382
  399    HE3  LYS  48           HE1      LYS  48  57.896  14.011  -2.555
  400    HZ1  LYS  48           HZ1      LYS  48  58.166  16.041  -3.807
  401    HZ2  LYS  48           HZ2      LYS  48  57.512  16.348  -2.269
  402    HZ3  LYS  48           HZ3      LYS  48  56.516  16.408  -3.643
  403    H    ARG  49           HN       ARG  49  59.332   9.376  -4.742
  404    HA   ARG  49           HA       ARG  49  60.676   8.813  -2.249
  405    HB2  ARG  49           HB2      ARG  49  59.813   6.559  -2.867
  406    HB3  ARG  49           HB1      ARG  49  60.604   6.685  -4.470
  407    HG2  ARG  49           HG2      ARG  49  62.342   7.128  -2.023
  408    HG3  ARG  49           HG1      ARG  49  61.684   5.482  -2.250
  409    HD2  ARG  49           HD2      ARG  49  62.724   5.334  -4.525
  410    HD3  ARG  49           HD1      ARG  49  63.374   7.020  -4.344
  411    HE   ARG  49           HE       ARG  49  64.139   5.288  -2.105
  412   HH11  ARG  49          HH11      ARG  49  66.327   4.484  -2.019
  413   HH12  ARG  49          HH12      ARG  49  67.350   4.579  -3.414
  414   HH21  ARG  49          HH21      ARG  49  64.918   6.120  -5.498
  415   HH22  ARG  49          HH22      ARG  49  66.540   5.520  -5.413
  416    H    ILE  50           HN       ILE  50  62.902   9.399  -2.505
  417    HA   ILE  50           HA       ILE  50  63.890   9.856  -5.163
  418    HB   ILE  50           HB       ILE  50  62.633  11.892  -4.878
  419   HG12  ILE  50          HG12      ILE  50  65.631  12.503  -4.557
  420   HG13  ILE  50          HG11      ILE  50  64.907  11.776  -6.033
  421   HG21  ILE  50          HG21      ILE  50  62.582  11.941  -2.352
  422   HG22  ILE  50          HG22      ILE  50  63.063  13.512  -3.079
  423   HG23  ILE  50          HG23      ILE  50  64.313  12.446  -2.349
  424   HD11  ILE  50           HD1      ILE  50  63.382  13.736  -6.277
  425   HD12  ILE  50           HD2      ILE  50  65.120  14.223  -6.323
  426   HD13  ILE  50           HD3      ILE  50  64.143  14.522  -4.838
  427    H    ASN  51           HN       ASN  51  64.213  10.039  -1.606
  428    HA   ASN  51           HA       ASN  51  67.052  10.374  -1.782
  429    HB2  ASN  51           HB2      ASN  51  65.187   9.996   0.652
  430    HB3  ASN  51           HB1      ASN  51  66.944  10.413   0.730
  431   HD21  ASN  51          HD21      ASN  51  66.457  13.776  -0.649
  432   HD22  ASN  51          HD22      ASN  51  67.509  12.412  -0.825
  433    H    HIS  52           HN       HIS  52  65.794   8.267   0.716
  434    HA   HIS  52           HA       HIS  52  67.190   5.965  -0.487
  435    HB2  HIS  52           HB2      HIS  52  66.785   6.741   2.468
  436    HB3  HIS  52           HB1      HIS  52  67.537   5.208   1.891
  437    HD1  HIS  52           HD1      HIS  52  69.222   6.858   3.681
  438    HD2  HIS  52           HD2      HIS  52  69.217   7.482  -0.471
  439    HE1  HIS  52           HE1      HIS  52  71.410   7.987   3.084
  440    HE2  HIS  52           HE2      HIS  52  71.368   8.341   0.576
  441    H    ILE  53           HN       ILE  53  64.419   7.343   1.284
  442    HA   ILE  53           HA       ILE  53  62.958   4.806   1.040
  443    HB   ILE  53           HB       ILE  53  61.927   5.284   3.217
  444   HG12  ILE  53          HG12      ILE  53  64.248   7.289   3.615
  445   HG13  ILE  53          HG11      ILE  53  62.548   7.764   3.265
  446   HG21  ILE  53          HG21      ILE  53  63.809   4.307   4.496
  447   HG22  ILE  53          HG22      ILE  53  64.978   4.819   3.232
  448   HG23  ILE  53          HG23      ILE  53  63.717   3.586   2.852
  449   HD11  ILE  53           HD1      ILE  53  61.808   6.410   5.259
  450   HD12  ILE  53           HD2      ILE  53  62.808   7.863   5.674
  451   HD13  ILE  53           HD3      ILE  53  63.536   6.212   5.737
  452    H    VAL  54           HN       VAL  54  60.569   5.303   1.567
  453    HA   VAL  54           HA       VAL  54  59.713   7.188  -0.357
  454    HB   VAL  54           HB       VAL  54  58.683   4.949   0.001
  455   HG11  VAL  54          HG11      VAL  54  58.775   4.939   2.538
  456   HG12  VAL  54          HG12      VAL  54  57.157   4.521   1.872
  457   HG13  VAL  54          HG13      VAL  54  57.441   6.154   2.563
  458   HG21  VAL  54          HG21      VAL  54  57.450   6.616  -1.263
  459   HG22  VAL  54          HG22      VAL  54  56.753   7.326   0.250
  460   HG23  VAL  54          HG23      VAL  54  56.321   5.654  -0.253
  461    H    VAL  55           HN       VAL  55  58.682   9.158   0.006
  462    HA   VAL  55           HA       VAL  55  58.436  10.061   2.792
  463    HB   VAL  55           HB       VAL  55  58.489  12.377   1.922
  464   HG11  VAL  55          HG11      VAL  55  61.007  10.689   1.292
  465   HG12  VAL  55          HG12      VAL  55  60.500  11.268   2.924
  466   HG13  VAL  55          HG13      VAL  55  60.961  12.455   1.647
  467   HG21  VAL  55          HG21      VAL  55  59.396  12.821  -0.370
  468   HG22  VAL  55          HG22      VAL  55  57.828  11.955  -0.467
  469   HG23  VAL  55          HG23      VAL  55  59.373  11.064  -0.748
  470    H    LEU  56           HN       LEU  56  56.379  10.936   3.314
  471    HA   LEU  56           HA       LEU  56  54.229  10.126   1.532
  472    HB2  LEU  56           HB2      LEU  56  54.308  11.533   4.258
  473    HB3  LEU  56           HB1      LEU  56  52.778  11.228   3.371
  474    HG   LEU  56           HG       LEU  56  54.668   8.939   4.131
  475   HD11  LEU  56          HD11      LEU  56  53.258   8.610   6.180
  476   HD12  LEU  56          HD12      LEU  56  52.385  10.144   5.826
  477   HD13  LEU  56          HD13      LEU  56  54.146  10.177   6.220
  478   HD21  LEU  56          HD21      LEU  56  51.653   9.028   3.505
  479   HD22  LEU  56          HD22      LEU  56  52.572   7.580   4.054
  480   HD23  LEU  56          HD23      LEU  56  52.955   8.340   2.460
  481    H    ALA  57           HN       ALA  57  52.713  11.715   0.670
  482    HA   ALA  57           HA       ALA  57  53.937  14.225  -0.015
  483    HB1  ALA  57           HB1      ALA  57  52.492  13.096  -1.692
  484    HB2  ALA  57           HB2      ALA  57  51.811  14.698  -1.237
  485    HB3  ALA  57           HB3      ALA  57  51.094  13.183  -0.563
  486    H    HIS  58           HN       HIS  58  54.125  15.665   1.620
  487    HA   HIS  58           HA       HIS  58  52.113  15.797   3.700
  488    HB2  HIS  58           HB2      HIS  58  54.527  15.769   4.339
  489    HB3  HIS  58           HB1      HIS  58  54.812  17.234   3.347
  490    HD1  HIS  58           HD1      HIS  58  52.499  16.226   6.252
  491    HD2  HIS  58           HD2      HIS  58  54.648  19.549   4.852
  492    HE1  HIS  58           HE1      HIS  58  52.197  18.086   7.945
  493    HE2  HIS  58           HE2      HIS  58  53.500  20.072   7.061
  494    H    HIS  59           HN       HIS  59  53.832  17.980   1.377
  495    HA   HIS  59           HA       HIS  59  51.817  20.015   1.633
  496    HB2  HIS  59           HB2      HIS  59  54.204  20.638   1.220
  497    HB3  HIS  59           HB1      HIS  59  54.180  19.706  -0.312
  498    HD1  HIS  59           HD1      HIS  59  52.149  22.581   1.242
  499    HD2  HIS  59           HD2      HIS  59  53.587  21.303  -2.489
  500    HE1  HIS  59           HE1      HIS  59  51.512  24.350  -0.458
  501    HE2  HIS  59           HE2      HIS  59  52.388  23.536  -2.692
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  41.363 -17.987  -4.308
    2    H2   MET   1           HT2      MET   1  42.581 -17.933  -3.125
    3    H3   MET   1           HT3      MET   1  41.722 -19.372  -3.393
    4    HA   MET   1           HA       MET   1  42.617 -19.567  -5.572
    5    HB2  MET   1           HB2      MET   1  44.169 -17.012  -4.823
    6    HB3  MET   1           HB1      MET   1  44.562 -18.047  -6.240
    7    HG2  MET   1           HG2      MET   1  42.328 -17.664  -7.193
    8    HG3  MET   1           HG1      MET   1  41.868 -16.633  -5.802
    9    HE1  MET   1           HE1      MET   1  42.653 -14.306  -5.291
   10    HE2  MET   1           HE2      MET   1  43.942 -13.398  -6.152
   11    HE3  MET   1           HE3      MET   1  44.370 -14.821  -5.148
   12    H    LEU   2           HN       LEU   2  44.976 -18.076  -3.266
   13    HA   LEU   2           HA       LEU   2  46.531 -20.504  -3.353
   14    HB2  LEU   2           HB2      LEU   2  47.234 -17.847  -3.405
   15    HB3  LEU   2           HB1      LEU   2  47.351 -18.130  -1.652
   16    HG   LEU   2           HG       LEU   2  48.883 -20.157  -2.253
   17   HD11  LEU   2          HD11      LEU   2  50.003 -20.066  -4.502
   18   HD12  LEU   2          HD12      LEU   2  48.866 -18.760  -5.011
   19   HD13  LEU   2          HD13      LEU   2  48.242 -20.410  -4.658
   20   HD21  LEU   2          HD21      LEU   2  50.890 -18.718  -2.555
   21   HD22  LEU   2          HD22      LEU   2  49.755 -18.015  -1.342
   22   HD23  LEU   2          HD23      LEU   2  49.838 -17.322  -3.006
   23    H    LYS   3           HN       LYS   3  47.717 -20.473  -0.807
   24    HA   LYS   3           HA       LYS   3  45.622 -21.597   0.825
   25    HB2  LYS   3           HB2      LYS   3  47.862 -22.665   0.625
   26    HB3  LYS   3           HB1      LYS   3  48.564 -21.266   1.485
   27    HG2  LYS   3           HG2      LYS   3  46.702 -21.796   3.331
   28    HG3  LYS   3           HG1      LYS   3  46.554 -23.372   2.486
   29    HD2  LYS   3           HD2      LYS   3  49.011 -23.723   2.805
   30    HD3  LYS   3           HD1      LYS   3  49.117 -22.107   3.613
   31    HE2  LYS   3           HE2      LYS   3  47.576 -22.904   5.438
   32    HE3  LYS   3           HE1      LYS   3  47.492 -24.536   4.655
   33    HZ1  LYS   3           HZ1      LYS   3  49.943 -23.209   5.696
   34    HZ2  LYS   3           HZ2      LYS   3  49.868 -24.740   4.964
   35    HZ3  LYS   3           HZ3      LYS   3  49.078 -24.466   6.442
   36    H    ASP   4           HN       ASP   4  48.290 -19.306   1.521
   37    HA   ASP   4           HA       ASP   4  48.535 -17.536   2.699
   38    HB2  ASP   4           HB2      ASP   4  45.505 -17.062   2.703
   39    HB3  ASP   4           HB1      ASP   4  46.739 -15.902   3.305
   40    H    TYR   5           HN       TYR   5  47.351 -16.520   5.043
   41    HA   TYR   5           HA       TYR   5  47.166 -18.902   6.768
   42    HB2  TYR   5           HB2      TYR   5  48.918 -16.464   7.303
   43    HB3  TYR   5           HB1      TYR   5  48.702 -17.888   8.403
   44    HD1  TYR   5           HD1      TYR   5  49.128 -20.260   7.109
   45    HD2  TYR   5           HD2      TYR   5  50.837 -16.469   6.002
   46    HE1  TYR   5           HE1      TYR   5  50.939 -21.426   5.924
   47    HE2  TYR   5           HE2      TYR   5  52.654 -17.637   4.812
   48    HH   TYR   5           HH       TYR   5  53.535 -19.622   4.214
   49    H    HIS   6           HN       HIS   6  47.385 -16.526   8.815
   50    HA   HIS   6           HA       HIS   6  44.579 -15.978   9.018
   51    HB2  HIS   6           HB2      HIS   6  47.019 -15.007  10.556
   52    HB3  HIS   6           HB1      HIS   6  45.334 -14.559  10.980
   53    HD1  HIS   6           HD1      HIS   6  46.641 -15.898  13.188
   54    HD2  HIS   6           HD2      HIS   6  44.954 -18.192  10.103
   55    HE1  HIS   6           HE1      HIS   6  46.215 -18.216  14.118
   56    HE2  HIS   6           HE2      HIS   6  45.195 -19.564  12.230
   57    H    LEU   7           HN       LEU   7  47.160 -14.705   7.197
   58    HA   LEU   7           HA       LEU   7  46.639 -11.956   7.454
   59    HB2  LEU   7           HB2      LEU   7  47.901 -13.476   5.084
   60    HB3  LEU   7           HB1      LEU   7  48.049 -11.712   5.402
   61    HG   LEU   7           HG       LEU   7  49.152 -13.983   7.175
   62   HD11  LEU   7          HD11      LEU   7  51.390 -13.316   6.339
   63   HD12  LEU   7          HD12      LEU   7  50.636 -12.095   5.244
   64   HD13  LEU   7          HD13      LEU   7  50.319 -13.853   4.991
   65   HD21  LEU   7          HD21      LEU   7  49.561 -10.930   7.395
   66   HD22  LEU   7          HD22      LEU   7  50.430 -12.184   8.357
   67   HD23  LEU   7          HD23      LEU   7  48.654 -11.977   8.553
   68    H    LYS   8           HN       LYS   8  45.281 -10.627   6.262
   69    HA   LYS   8           HA       LYS   8  43.116 -11.949   4.940
   70    HB2  LYS   8           HB2      LYS   8  42.790 -10.009   6.528
   71    HB3  LYS   8           HB1      LYS   8  43.710  -8.970   5.401
   72    HG2  LYS   8           HG2      LYS   8  41.414  -8.458   5.185
   73    HG3  LYS   8           HG1      LYS   8  41.865  -9.287   3.668
   74    HD2  LYS   8           HD2      LYS   8  40.546 -10.799   6.007
   75    HD3  LYS   8           HD1      LYS   8  39.582  -9.765   4.898
   76    HE2  LYS   8           HE2      LYS   8  40.323 -11.106   2.920
   77    HE3  LYS   8           HE1      LYS   8  41.234 -12.222   4.013
   78    HZ1  LYS   8           HZ1      LYS   8  39.174 -12.737   5.124
   79    HZ2  LYS   8           HZ2      LYS   8  39.085 -13.071   3.461
   80    HZ3  LYS   8           HZ3      LYS   8  38.314 -11.696   4.093
   81    H    GLU   9           HN       GLU   9  42.644 -11.812   2.686
   82    HA   GLU   9           HA       GLU   9  44.969 -11.352   1.049
   83    HB2  GLU   9           HB2      GLU   9  43.523 -12.251  -0.800
   84    HB3  GLU   9           HB1      GLU   9  43.765 -13.385   0.566
   85    HG2  GLU   9           HG2      GLU   9  41.532 -12.935   1.473
   86    HG3  GLU   9           HG1      GLU   9  41.256 -11.614   0.281
   87    H    MET  10           HN       MET  10  44.626 -10.105  -1.055
   88    HA   MET  10           HA       MET  10  42.949  -7.729  -0.531
   89    HB2  MET  10           HB2      MET  10  45.658  -7.944  -1.913
   90    HB3  MET  10           HB1      MET  10  44.595  -6.488  -1.941
   91    HG2  MET  10           HG2      MET  10  44.739  -6.299   0.523
   92    HG3  MET  10           HG1      MET  10  45.680  -7.815   0.603
   93    HE1  MET  10           HE1      MET  10  45.704  -3.915  -0.179
   94    HE2  MET  10           HE2      MET  10  45.663  -4.687  -1.804
   95    HE3  MET  10           HE3      MET  10  47.094  -3.761  -1.290
   96    HA   PRO  11           HA       PRO  11  41.590  -9.452  -4.531
   97    HB2  PRO  11           HB2      PRO  11  38.848  -9.038  -4.191
   98    HB3  PRO  11           HB1      PRO  11  39.717 -10.502  -3.589
   99    HG2  PRO  11           HG1      PRO  11  38.935  -8.007  -2.011
  100    HG3  PRO  11           HG2      PRO  11  38.766  -9.747  -1.530
  101    HD2  PRO  11           HD1      PRO  11  40.885  -8.121  -0.704
  102    HD3  PRO  11           HD2      PRO  11  41.125  -9.885  -0.984
  103    H    GLU  12           HN       GLU  12  40.562  -6.512  -2.688
  104    HA   GLU  12           HA       GLU  12  41.671  -4.879  -4.669
  105    HB2  GLU  12           HB2      GLU  12  39.344  -5.334  -5.703
  106    HB3  GLU  12           HB1      GLU  12  38.620  -4.501  -4.303
  107    HG2  GLU  12           HG2      GLU  12  40.673  -3.298  -6.300
  108    HG3  GLU  12           HG1      GLU  12  38.889  -3.098  -6.420
  109    H    MET  13           HN       MET  13  42.886  -3.997  -3.035
  110    HA   MET  13           HA       MET  13  41.476  -2.320  -1.128
  111    HB2  MET  13           HB2      MET  13  43.576  -4.359  -0.311
  112    HB3  MET  13           HB1      MET  13  43.213  -2.879   0.647
  113    HG2  MET  13           HG2      MET  13  41.236  -5.130  -0.037
  114    HG3  MET  13           HG1      MET  13  42.084  -4.843   1.507
  115    HE1  MET  13           HE1      MET  13  38.998  -5.332   1.068
  116    HE2  MET  13           HE2      MET  13  38.331  -4.224   2.317
  117    HE3  MET  13           HE3      MET  13  39.816  -5.175   2.662
  118    H    GLU  14           HN       GLU  14  42.949  -0.480  -0.526
  119    HA   GLU  14           HA       GLU  14  45.474  -0.287  -1.863
  120    HB2  GLU  14           HB2      GLU  14  44.853   1.546  -3.413
  121    HB3  GLU  14           HB1      GLU  14  43.856   0.099  -3.779
  122    HG2  GLU  14           HG2      GLU  14  41.896   1.060  -2.599
  123    HG3  GLU  14           HG1      GLU  14  42.845   2.515  -2.127
  124    H    ASP  15           HN       ASP  15  42.907   0.899   0.150
  125    HA   ASP  15           HA       ASP  15  44.404   3.261   0.886
  126    HB2  ASP  15           HB2      ASP  15  42.671   3.875   2.362
  127    HB3  ASP  15           HB1      ASP  15  41.942   3.412   0.795
  128    H    GLU  16           HN       GLU  16  44.137  -0.060   1.769
  129    HA   GLU  16           HA       GLU  16  45.284  -0.130   4.295
  130    HB2  GLU  16           HB2      GLU  16  44.295  -2.101   3.147
  131    HB3  GLU  16           HB1      GLU  16  45.533  -1.987   1.852
  132    HG2  GLU  16           HG2      GLU  16  47.337  -2.527   3.543
  133    HG3  GLU  16           HG1      GLU  16  46.076  -2.670   4.823
  134    H    PHE  17           HN       PHE  17  46.699   0.025   0.976
  135    HA   PHE  17           HA       PHE  17  49.373  -0.014   1.684
  136    HB2  PHE  17           HB2      PHE  17  48.584  -0.401  -0.639
  137    HB3  PHE  17           HB1      PHE  17  47.940   1.264  -0.719
  138    HD1  PHE  17           HD1      PHE  17  51.110  -0.706  -0.475
  139    HD2  PHE  17           HD2      PHE  17  49.297   3.098  -1.262
  140    HE1  PHE  17           HE1      PHE  17  53.258   0.123  -1.390
  141    HE2  PHE  17           HE2      PHE  17  51.465   3.950  -2.105
  142    HZ   PHE  17           HZ       PHE  17  53.459   2.489  -2.087
  143    H    LEU  18           HN       LEU  18  47.021   2.697   1.481
  144    HA   LEU  18           HA       LEU  18  48.960   4.725   1.626
  145    HB2  LEU  18           HB2      LEU  18  45.930   4.570   1.919
  146    HB3  LEU  18           HB1      LEU  18  46.744   6.117   2.210
  147    HG   LEU  18           HG       LEU  18  46.999   4.466  -0.375
  148   HD11  LEU  18          HD11      LEU  18  45.471   6.113  -1.433
  149   HD12  LEU  18          HD12      LEU  18  45.248   6.950   0.150
  150   HD13  LEU  18          HD13      LEU  18  44.659   5.259  -0.070
  151   HD21  LEU  18          HD21      LEU  18  47.927   6.552  -1.391
  152   HD22  LEU  18          HD22      LEU  18  48.966   5.960  -0.057
  153   HD23  LEU  18          HD23      LEU  18  47.872   7.369   0.215
  154    H    GLU  19           HN       GLU  19  47.492   2.762   4.154
  155    HA   GLU  19           HA       GLU  19  48.089   4.775   6.198
  156    HB2  GLU  19           HB2      GLU  19  46.880   1.950   6.354
  157    HB3  GLU  19           HB1      GLU  19  47.146   3.045   7.765
  158    HG2  GLU  19           HG2      GLU  19  45.635   4.749   6.716
  159    HG3  GLU  19           HG1      GLU  19  45.293   3.631   5.362
  160    H    TYR  20           HN       TYR  20  49.345   1.909   4.666
  161    HA   TYR  20           HA       TYR  20  51.104   1.062   6.753
  162    HB2  TYR  20           HB2      TYR  20  50.697   0.511   3.754
  163    HB3  TYR  20           HB1      TYR  20  52.119  -0.128   4.520
  164    HD1  TYR  20           HD1      TYR  20  51.854  -2.380   4.463
  165    HD2  TYR  20           HD2      TYR  20  48.772  -0.015   6.273
  166    HE1  TYR  20           HE1      TYR  20  50.758  -4.443   5.267
  167    HE2  TYR  20           HE2      TYR  20  47.680  -2.058   7.106
  168    HH   TYR  20           HH       TYR  20  47.708  -4.311   7.169
  169    H    CYS  21           HN       CYS  21  51.094   3.259   4.088
  170    HA   CYS  21           HA       CYS  21  53.857   3.256   3.687
  171    HB2  CYS  21           HB2      CYS  21  51.678   5.191   2.770
  172    HB3  CYS  21           HB1      CYS  21  53.397   5.590   2.465
  173    HG   CYS  21           HG1      CYS  21  54.059   3.465   1.257
  174    H    ALA  22           HN       ALA  22  52.042   4.550   6.216
  175    HA   ALA  22           HA       ALA  22  53.509   6.871   6.870
  176    HB1  ALA  22           HB1      ALA  22  51.186   6.390   7.696
  177    HB2  ALA  22           HB2      ALA  22  52.333   6.659   9.064
  178    HB3  ALA  22           HB3      ALA  22  51.817   4.982   8.622
  179    H    LYS  23           HN       LYS  23  54.255   3.523   6.932
  180    HA   LYS  23           HA       LYS  23  56.458   3.837   8.806
  181    HB2  LYS  23           HB2      LYS  23  55.149   1.649   8.839
  182    HB3  LYS  23           HB1      LYS  23  55.610   1.400   7.131
  183    HG2  LYS  23           HG2      LYS  23  58.105   1.603   7.994
  184    HG3  LYS  23           HG1      LYS  23  57.398   1.485   9.637
  185    HD2  LYS  23           HD2      LYS  23  58.148  -0.704   9.014
  186    HD3  LYS  23           HD1      LYS  23  56.350  -0.746   8.925
  187    HE2  LYS  23           HE2      LYS  23  56.485  -0.522   6.405
  188    HE3  LYS  23           HE1      LYS  23  58.288  -0.409   6.518
  189    HZ1  LYS  23           HZ1      LYS  23  58.317  -2.613   7.455
  190    HZ2  LYS  23           HZ2      LYS  23  57.543  -2.603   5.945
  191    HZ3  LYS  23           HZ3      LYS  23  56.624  -2.721   7.369
  192    H    ASN  24           HN       ASN  24  57.305   5.509   7.551
  193    HA   ASN  24           HA       ASN  24  58.020   5.319   4.881
  194    HB2  ASN  24           HB2      ASN  24  59.282   7.105   7.041
  195    HB3  ASN  24           HB1      ASN  24  59.458   7.317   5.267
  196   HD21  ASN  24          HD21      ASN  24  55.943   8.302   4.794
  197   HD22  ASN  24          HD22      ASN  24  57.166   7.315   4.065
  198    HA   PRO  25           HA       PRO  25  62.403   3.898   6.176
  199    HB2  PRO  25           HB2      PRO  25  62.468   2.279   8.555
  200    HB3  PRO  25           HB1      PRO  25  63.047   3.997   8.437
  201    HG2  PRO  25           HG1      PRO  25  60.316   2.965   9.356
  202    HG3  PRO  25           HG2      PRO  25  61.346   4.250  10.118
  203    HD2  PRO  25           HD1      PRO  25  59.249   4.947   8.518
  204    HD3  PRO  25           HD2      PRO  25  60.835   5.811   8.304
  205    H    SER  26           HN       SER  26  63.091   1.926   5.278
  206    HA   SER  26           HA       SER  26  62.914   0.038   4.276
  207    HB2  SER  26           HB2      SER  26  61.283  -0.742   6.744
  208    HB3  SER  26           HB1      SER  26  61.758  -1.928   5.447
  209    HG   SER  26           HG1      SER  26  63.199  -1.869   7.169
  210    H    TYR  27           HN       TYR  27  61.767   1.633   2.872
  211    HA   TYR  27           HA       TYR  27  58.976   1.496   2.586
  212    HB2  TYR  27           HB2      TYR  27  59.195   2.986   0.812
  213    HB3  TYR  27           HB1      TYR  27  60.523   3.473   1.929
  214    HD1  TYR  27           HD1      TYR  27  62.802   1.766   1.206
  215    HD2  TYR  27           HD2      TYR  27  59.746   3.395  -1.350
  216    HE1  TYR  27           HE1      TYR  27  64.254   1.426  -0.748
  217    HE2  TYR  27           HE2      TYR  27  61.170   3.014  -3.300
  218    HH   TYR  27           HH       TYR  27  64.468   1.603  -2.988
  219    H    GLU  28           HN       GLU  28  61.658  -0.255   1.503
  220    HA   GLU  28           HA       GLU  28  60.860  -1.495  -0.820
  221    HB2  GLU  28           HB2      GLU  28  62.587  -3.303   0.083
  222    HB3  GLU  28           HB1      GLU  28  63.149  -1.666  -0.379
  223    HG2  GLU  28           HG2      GLU  28  63.259  -0.887   1.916
  224    HG3  GLU  28           HG1      GLU  28  62.483  -2.374   2.555
  225    H    GLU  29           HN       GLU  29  60.207  -2.279   2.644
  226    HA   GLU  29           HA       GLU  29  59.078  -4.818   2.004
  227    HB2  GLU  29           HB2      GLU  29  58.894  -3.070   4.506
  228    HB3  GLU  29           HB1      GLU  29  58.213  -4.735   4.373
  229    HG2  GLU  29           HG2      GLU  29  60.479  -5.658   3.890
  230    HG3  GLU  29           HG1      GLU  29  61.203  -4.018   4.026
  231    H    ALA  30           HN       ALA  30  57.857  -1.459   2.245
  232    HA   ALA  30           HA       ALA  30  55.111  -2.311   2.233
  233    HB1  ALA  30           HB1      ALA  30  54.594   0.125   2.040
  234    HB2  ALA  30           HB2      ALA  30  56.347   0.478   1.785
  235    HB3  ALA  30           HB3      ALA  30  55.776  -0.172   3.364
  236    H    TYR  31           HN       TYR  31  57.586  -1.914  -0.151
  237    HA   TYR  31           HA       TYR  31  55.766  -1.384  -2.356
  238    HB2  TYR  31           HB2      TYR  31  57.969  -0.325  -2.572
  239    HB3  TYR  31           HB1      TYR  31  58.758  -1.738  -1.921
  240    HD1  TYR  31           HD1      TYR  31  56.317  -1.836  -4.756
  241    HD2  TYR  31           HD2      TYR  31  60.432  -1.942  -3.574
  242    HE1  TYR  31           HE1      TYR  31  56.915  -2.704  -6.986
  243    HE2  TYR  31           HE2      TYR  31  61.065  -2.730  -5.825
  244    HH   TYR  31           HH       TYR  31  58.586  -3.349  -8.358
  245    H    LEU  32           HN       LEU  32  58.093  -3.929  -1.337
  246    HA   LEU  32           HA       LEU  32  57.396  -5.615  -3.420
  247    HB2  LEU  32           HB2      LEU  32  58.913  -6.074  -0.801
  248    HB3  LEU  32           HB1      LEU  32  58.875  -7.271  -2.131
  249    HG   LEU  32           HG       LEU  32  59.847  -4.362  -2.505
  250   HD11  LEU  32          HD11      LEU  32  61.576  -6.843  -1.856
  251   HD12  LEU  32          HD12      LEU  32  61.235  -5.475  -0.732
  252   HD13  LEU  32          HD13      LEU  32  62.176  -5.185  -2.242
  253   HD21  LEU  32          HD21      LEU  32  60.321  -6.904  -4.194
  254   HD22  LEU  32          HD22      LEU  32  61.036  -5.276  -4.499
  255   HD23  LEU  32          HD23      LEU  32  59.257  -5.511  -4.625
  256    H    LYS  33           HN       LYS  33  56.135  -5.413  -0.140
  257    HA   LYS  33           HA       LYS  33  54.934  -7.941   0.040
  258    HB2  LYS  33           HB2      LYS  33  55.196  -6.379   2.001
  259    HB3  LYS  33           HB1      LYS  33  54.058  -5.248   1.257
  260    HG2  LYS  33           HG2      LYS  33  52.914  -8.005   1.601
  261    HG3  LYS  33           HG1      LYS  33  53.490  -7.265   3.136
  262    HD2  LYS  33           HD2      LYS  33  52.131  -5.276   2.734
  263    HD3  LYS  33           HD1      LYS  33  51.670  -5.876   1.103
  264    HE2  LYS  33           HE2      LYS  33  50.873  -7.140   3.813
  265    HE3  LYS  33           HE1      LYS  33  49.817  -6.200   2.688
  266    HZ1  LYS  33           HZ1      LYS  33  49.476  -8.545   2.462
  267    HZ2  LYS  33           HZ2      LYS  33  51.110  -8.794   2.067
  268    HZ3  LYS  33           HZ3      LYS  33  50.113  -7.890   1.031
  269    H    PHE  34           HN       PHE  34  53.798  -4.768  -1.191
  270    HA   PHE  34           HA       PHE  34  51.225  -5.766  -1.985
  271    HB2  PHE  34           HB2      PHE  34  52.676  -3.054  -2.330
  272    HB3  PHE  34           HB1      PHE  34  51.051  -3.386  -3.014
  273    HD1  PHE  34           HD1      PHE  34  52.996  -3.372   0.193
  274    HD2  PHE  34           HD2      PHE  34  49.131  -3.213  -1.648
  275    HE1  PHE  34           HE1      PHE  34  51.997  -2.911   2.380
  276    HE2  PHE  34           HE2      PHE  34  48.109  -2.709   0.565
  277    HZ   PHE  34           HZ       PHE  34  49.537  -2.543   2.578
  278    H    GLY  35           HN       GLY  35  53.412  -3.789  -4.004
  279    HA2  GLY  35           HA2      GLY  35  54.727  -5.371  -5.525
  280    HA3  GLY  35           HA1      GLY  35  53.081  -5.572  -6.255
  281    H    ASP  36           HN       ASP  36  52.656  -4.231  -7.874
  282    HA   ASP  36           HA       ASP  36  54.375  -2.054  -8.411
  283    HB2  ASP  36           HB2      ASP  36  51.744  -2.834  -9.782
  284    HB3  ASP  36           HB1      ASP  36  52.997  -1.724 -10.453
  285    H    LYS  37           HN       LYS  37  52.035  -2.166  -6.130
  286    HA   LYS  37           HA       LYS  37  50.402   0.017  -6.617
  287    HB2  LYS  37           HB2      LYS  37  49.995  -1.878  -4.978
  288    HB3  LYS  37           HB1      LYS  37  51.212  -1.172  -3.943
  289    HG2  LYS  37           HG2      LYS  37  49.065  -0.525  -3.099
  290    HG3  LYS  37           HG1      LYS  37  49.918   0.940  -3.693
  291    HD2  LYS  37           HD2      LYS  37  47.548   1.018  -4.304
  292    HD3  LYS  37           HD1      LYS  37  48.612   0.977  -5.744
  293    HE2  LYS  37           HE2      LYS  37  46.821  -0.470  -6.179
  294    HE3  LYS  37           HE1      LYS  37  48.167  -1.589  -5.909
  295    HZ1  LYS  37           HZ1      LYS  37  46.206  -2.330  -4.784
  296    HZ2  LYS  37           HZ2      LYS  37  46.059  -0.868  -3.936
  297    HZ3  LYS  37           HZ3      LYS  37  47.379  -1.894  -3.636
  298    H    LEU  38           HN       LEU  38  53.608  -0.312  -5.012
  299    HA   LEU  38           HA       LEU  38  53.577   2.443  -4.131
  300    HB2  LEU  38           HB2      LEU  38  54.832   0.544  -2.846
  301    HB3  LEU  38           HB1      LEU  38  55.932   0.436  -4.180
  302    HG   LEU  38           HG       LEU  38  55.574   3.211  -3.072
  303   HD11  LEU  38          HD11      LEU  38  55.378   1.929  -0.956
  304   HD12  LEU  38          HD12      LEU  38  56.925   2.849  -1.034
  305   HD13  LEU  38          HD13      LEU  38  56.918   1.071  -1.312
  306   HD21  LEU  38          HD21      LEU  38  58.071   1.504  -3.655
  307   HD22  LEU  38          HD22      LEU  38  58.056   3.267  -3.249
  308   HD23  LEU  38          HD23      LEU  38  57.301   2.684  -4.782
  309    H    LEU  39           HN       LEU  39  54.602   0.698  -7.021
  310    HA   LEU  39           HA       LEU  39  56.358   2.716  -7.921
  311    HB2  LEU  39           HB2      LEU  39  54.812   0.605  -9.513
  312    HB3  LEU  39           HB1      LEU  39  56.157   1.612 -10.139
  313    HG   LEU  39           HG       LEU  39  56.306  -0.480  -7.886
  314   HD11  LEU  39          HD11      LEU  39  57.661  -1.790  -9.496
  315   HD12  LEU  39          HD12      LEU  39  57.479  -0.486 -10.733
  316   HD13  LEU  39          HD13      LEU  39  56.034  -1.413 -10.181
  317   HD21  LEU  39          HD21      LEU  39  57.954   1.293  -7.365
  318   HD22  LEU  39          HD22      LEU  39  58.570   1.262  -9.063
  319   HD23  LEU  39          HD23      LEU  39  58.804  -0.163  -7.984
  320    H    GLU  40           HN       GLU  40  52.888   1.988  -8.586
  321    HA   GLU  40           HA       GLU  40  52.619   4.046 -10.500
  322    HB2  GLU  40           HB2      GLU  40  50.164   3.612 -10.298
  323    HB3  GLU  40           HB1      GLU  40  51.131   2.119 -10.598
  324    HG2  GLU  40           HG2      GLU  40  50.997   1.647  -8.088
  325    HG3  GLU  40           HG1      GLU  40  49.936   3.058  -7.909
  326    H    TYR  41           HN       TYR  41  52.062   3.908  -6.969
  327    HA   TYR  41           HA       TYR  41  50.615   6.382  -6.893
  328    HB2  TYR  41           HB2      TYR  41  51.681   4.314  -4.905
  329    HB3  TYR  41           HB1      TYR  41  51.293   5.894  -4.264
  330    HD1  TYR  41           HD1      TYR  41  49.637   4.906  -2.834
  331    HD2  TYR  41           HD2      TYR  41  49.093   4.792  -7.113
  332    HE1  TYR  41           HE1      TYR  41  47.287   4.244  -2.540
  333    HE2  TYR  41           HE2      TYR  41  46.767   4.183  -6.805
  334    HH   TYR  41           HH       TYR  41  45.335   3.748  -3.541
  335    H    GLU  42           HN       GLU  42  53.928   5.441  -6.969
  336    HA   GLU  42           HA       GLU  42  54.996   7.835  -5.775
  337    HB2  GLU  42           HB2      GLU  42  56.216   5.683  -5.750
  338    HB3  GLU  42           HB1      GLU  42  56.259   5.670  -7.548
  339    HG2  GLU  42           HG2      GLU  42  57.691   7.813  -7.428
  340    HG3  GLU  42           HG1      GLU  42  57.704   7.620  -5.633
  341    H    LEU  43           HN       LEU  43  54.395   6.534  -9.049
  342    HA   LEU  43           HA       LEU  43  55.407   8.776 -10.454
  343    HB2  LEU  43           HB2      LEU  43  53.609   6.392 -11.162
  344    HB3  LEU  43           HB1      LEU  43  54.090   7.591 -12.396
  345    HG   LEU  43           HG       LEU  43  56.088   5.947 -10.736
  346   HD11  LEU  43          HD11      LEU  43  56.359   4.495 -12.733
  347   HD12  LEU  43          HD12      LEU  43  55.048   5.396 -13.586
  348   HD13  LEU  43          HD13      LEU  43  54.669   4.435 -12.106
  349   HD21  LEU  43          HD21      LEU  43  57.731   6.585 -12.505
  350   HD22  LEU  43          HD22      LEU  43  57.090   8.030 -11.647
  351   HD23  LEU  43          HD23      LEU  43  56.485   7.620 -13.297
  352    H    LEU  44           HN       LEU  44  52.401   8.047  -8.838
  353    HA   LEU  44           HA       LEU  44  50.761   9.798 -10.370
  354    HB2  LEU  44           HB2      LEU  44  49.823   7.792  -9.410
  355    HB3  LEU  44           HB1      LEU  44  50.387   8.270  -7.784
  356    HG   LEU  44           HG       LEU  44  48.753  10.029  -7.627
  357   HD11  LEU  44          HD11      LEU  44  47.913   9.363 -10.531
  358   HD12  LEU  44          HD12      LEU  44  48.689  10.893  -9.970
  359   HD13  LEU  44          HD13      LEU  44  47.030  10.472  -9.415
  360   HD21  LEU  44          HD21      LEU  44  46.653   8.696  -7.686
  361   HD22  LEU  44          HD22      LEU  44  48.036   7.728  -7.047
  362   HD23  LEU  44          HD23      LEU  44  47.452   7.463  -8.732
  363    H    GLY  45           HN       GLY  45  51.312   9.860  -6.770
  364    HA2  GLY  45           HA2      GLY  45  52.821  11.829  -6.247
  365    HA3  GLY  45           HA1      GLY  45  51.438  12.775  -6.936
  366    H    LYS  46           HN       LYS  46  50.926   9.736  -5.210
  367    HA   LYS  46           HA       LYS  46  49.458  11.116  -3.120
  368    HB2  LYS  46           HB2      LYS  46  49.872   8.186  -3.801
  369    HB3  LYS  46           HB1      LYS  46  49.029   8.751  -2.311
  370    HG2  LYS  46           HG2      LYS  46  47.440  10.074  -3.705
  371    HG3  LYS  46           HG1      LYS  46  48.185   9.409  -5.200
  372    HD2  LYS  46           HD2      LYS  46  47.481   7.135  -4.601
  373    HD3  LYS  46           HD1      LYS  46  46.952   7.682  -2.965
  374    HE2  LYS  46           HE2      LYS  46  45.202   9.136  -3.975
  375    HE3  LYS  46           HE1      LYS  46  45.691   8.601  -5.632
  376    HZ1  LYS  46           HZ1      LYS  46  43.800   7.380  -4.827
  377    HZ2  LYS  46           HZ2      LYS  46  44.654   6.853  -3.458
  378    HZ3  LYS  46           HZ3      LYS  46  45.131   6.341  -5.005
  379    H    ILE  47           HN       ILE  47  52.247   8.983  -3.678
  380    HA   ILE  47           HA       ILE  47  53.546   9.794  -1.160
  381    HB   ILE  47           HB       ILE  47  54.861   7.693  -1.438
  382   HG12  ILE  47          HG12      ILE  47  52.608   7.063  -3.450
  383   HG13  ILE  47          HG11      ILE  47  54.323   7.359  -3.869
  384   HG21  ILE  47          HG21      ILE  47  51.829   7.299  -1.009
  385   HG22  ILE  47          HG22      ILE  47  52.976   7.983   0.213
  386   HG23  ILE  47          HG23      ILE  47  53.180   6.289  -0.370
  387   HD11  ILE  47           HD1      ILE  47  55.008   5.450  -2.562
  388   HD12  ILE  47           HD2      ILE  47  53.869   4.943  -3.861
  389   HD13  ILE  47           HD3      ILE  47  53.317   5.018  -2.142
  390    H    LYS  48           HN       LYS  48  56.034   9.680  -1.603
  391    HA   LYS  48           HA       LYS  48  56.732   9.845  -4.399
  392    HB2  LYS  48           HB2      LYS  48  57.700  11.927  -2.324
  393    HB3  LYS  48           HB1      LYS  48  58.270  11.833  -4.018
  394    HG2  LYS  48           HG2      LYS  48  55.999  12.426  -4.844
  395    HG3  LYS  48           HG1      LYS  48  55.397  12.542  -3.153
  396    HD2  LYS  48           HD2      LYS  48  57.625  14.286  -4.369
  397    HD3  LYS  48           HD1      LYS  48  55.897  14.757  -4.168
  398    HE2  LYS  48           HE2      LYS  48  56.128  14.462  -1.656
  399    HE3  LYS  48           HE1      LYS  48  57.890  14.103  -1.891
  400    HZ1  LYS  48           HZ1      LYS  48  57.499  16.387  -1.316
  401    HZ2  LYS  48           HZ2      LYS  48  56.488  16.609  -2.661
  402    HZ3  LYS  48           HZ3      LYS  48  58.138  16.276  -2.886
  403    H    ARG  49           HN       ARG  49  59.171   9.634  -4.570
  404    HA   ARG  49           HA       ARG  49  60.583   8.793  -2.233
  405    HB2  ARG  49           HB2      ARG  49  59.447   6.658  -2.737
  406    HB3  ARG  49           HB1      ARG  49  60.021   6.722  -4.425
  407    HG2  ARG  49           HG2      ARG  49  62.073   6.866  -2.149
  408    HG3  ARG  49           HG1      ARG  49  61.222   5.325  -2.424
  409    HD2  ARG  49           HD2      ARG  49  62.956   6.790  -4.535
  410    HD3  ARG  49           HD1      ARG  49  63.401   5.312  -3.580
  411    HE   ARG  49           HE       ARG  49  60.870   4.990  -5.028
  412   HH11  ARG  49          HH11      ARG  49  60.830   3.576  -6.864
  413   HH12  ARG  49          HH12      ARG  49  62.305   3.086  -7.629
  414   HH21  ARG  49          HH21      ARG  49  64.425   4.921  -5.437
  415   HH22  ARG  49          HH22      ARG  49  64.376   3.864  -6.808
  416    H    ILE  50           HN       ILE  50  62.779   9.273  -2.664
  417    HA   ILE  50           HA       ILE  50  63.636   9.595  -5.376
  418    HB   ILE  50           HB       ILE  50  62.444  11.702  -5.102
  419   HG12  ILE  50          HG12      ILE  50  64.259  13.350  -5.441
  420   HG13  ILE  50          HG11      ILE  50  65.485  12.159  -4.911
  421   HG21  ILE  50          HG21      ILE  50  62.416  11.766  -2.590
  422   HG22  ILE  50          HG22      ILE  50  62.948  13.320  -3.325
  423   HG23  ILE  50          HG23      ILE  50  64.162  12.216  -2.594
  424   HD11  ILE  50           HD1      ILE  50  65.330  12.356  -7.419
  425   HD12  ILE  50           HD2      ILE  50  63.606  11.834  -7.353
  426   HD13  ILE  50           HD3      ILE  50  64.918  10.692  -6.873
  427    H    ASN  51           HN       ASN  51  64.122   9.898  -1.858
  428    HA   ASN  51           HA       ASN  51  66.966  10.124  -2.151
  429    HB2  ASN  51           HB2      ASN  51  65.172   9.882   0.352
  430    HB3  ASN  51           HB1      ASN  51  66.949  10.204   0.363
  431   HD21  ASN  51          HD21      ASN  51  64.455  13.326   0.131
  432   HD22  ASN  51          HD22      ASN  51  64.052  11.750   0.727
  433    H    HIS  52           HN       HIS  52  65.589   8.088   0.382
  434    HA   HIS  52           HA       HIS  52  66.837   5.712  -0.843
  435    HB2  HIS  52           HB2      HIS  52  66.630   6.516   2.124
  436    HB3  HIS  52           HB1      HIS  52  67.252   4.937   1.518
  437    HD1  HIS  52           HD1      HIS  52  69.084   6.568   3.235
  438    HD2  HIS  52           HD2      HIS  52  69.009   6.987  -0.942
  439    HE1  HIS  52           HE1      HIS  52  71.325   7.516   2.530
  440    HE2  HIS  52           HE2      HIS  52  71.238   7.747   0.008
  441    H    ILE  53           HN       ILE  53  64.232   7.224   1.118
  442    HA   ILE  53           HA       ILE  53  62.702   4.722   0.982
  443    HB   ILE  53           HB       ILE  53  61.756   5.268   3.161
  444   HG12  ILE  53          HG12      ILE  53  64.069   7.297   3.440
  445   HG13  ILE  53          HG11      ILE  53  62.363   7.756   3.100
  446   HG21  ILE  53          HG21      ILE  53  63.670   4.345   4.419
  447   HG22  ILE  53          HG22      ILE  53  64.809   4.828   3.113
  448   HG23  ILE  53          HG23      ILE  53  63.551   3.573   2.801
  449   HD11  ILE  53           HD1      ILE  53  61.640   6.497   5.149
  450   HD12  ILE  53           HD2      ILE  53  62.676   7.941   5.501
  451   HD13  ILE  53           HD3      ILE  53  63.372   6.278   5.607
  452    H    VAL  54           HN       VAL  54  60.351   5.212   1.540
  453    HA   VAL  54           HA       VAL  54  59.446   7.138  -0.346
  454    HB   VAL  54           HB       VAL  54  58.526   4.790  -0.025
  455   HG11  VAL  54          HG11      VAL  54  58.484   4.820   2.509
  456   HG12  VAL  54          HG12      VAL  54  56.920   4.331   1.765
  457   HG13  VAL  54          HG13      VAL  54  57.104   5.982   2.448
  458   HG21  VAL  54          HG21      VAL  54  56.468   7.070   0.111
  459   HG22  VAL  54          HG22      VAL  54  56.183   5.394  -0.469
  460   HG23  VAL  54          HG23      VAL  54  57.315   6.464  -1.367
  461    H    VAL  55           HN       VAL  55  57.973   8.902   0.216
  462    HA   VAL  55           HA       VAL  55  57.745   9.545   3.059
  463    HB   VAL  55           HB       VAL  55  57.786  11.963   2.498
  464   HG11  VAL  55          HG11      VAL  55  60.259  12.138   2.410
  465   HG12  VAL  55          HG12      VAL  55  60.393  10.435   1.838
  466   HG13  VAL  55          HG13      VAL  55  59.760  10.784   3.491
  467   HG21  VAL  55          HG21      VAL  55  57.287  11.810   0.034
  468   HG22  VAL  55          HG22      VAL  55  58.884  11.014  -0.245
  469   HG23  VAL  55          HG23      VAL  55  58.809  12.711   0.344
  470    H    LEU  56           HN       LEU  56  55.697  10.688   3.472
  471    HA   LEU  56           HA       LEU  56  53.631  10.033   1.508
  472    HB2  LEU  56           HB2      LEU  56  53.510  11.380   4.263
  473    HB3  LEU  56           HB1      LEU  56  52.072  11.046   3.244
  474    HG   LEU  56           HG       LEU  56  53.950   8.847   4.285
  475   HD11  LEU  56          HD11      LEU  56  51.367   9.952   5.569
  476   HD12  LEU  56          HD12      LEU  56  53.040  10.093   6.229
  477   HD13  LEU  56          HD13      LEU  56  52.251   8.476   6.101
  478   HD21  LEU  56          HD21      LEU  56  52.551   8.097   2.396
  479   HD22  LEU  56          HD22      LEU  56  51.066   8.748   3.192
  480   HD23  LEU  56          HD23      LEU  56  51.954   7.368   3.935
  481    H    ALA  57           HN       ALA  57  52.385  11.757   0.518
  482    HA   ALA  57           HA       ALA  57  53.827  14.268   0.303
  483    HB1  ALA  57           HB1      ALA  57  51.219  13.364  -1.053
  484    HB2  ALA  57           HB2      ALA  57  52.862  13.302  -1.781
  485    HB3  ALA  57           HB3      ALA  57  52.118  14.893  -1.384
  486    H    HIS  58           HN       HIS  58  53.606  15.431   2.163
  487    HA   HIS  58           HA       HIS  58  51.032  15.601   3.499
  488    HB2  HIS  58           HB2      HIS  58  53.761  16.870   4.167
  489    HB3  HIS  58           HB1      HIS  58  52.283  16.955   5.191
  490    HD1  HIS  58           HD1      HIS  58  51.362  14.296   5.714
  491    HD2  HIS  58           HD2      HIS  58  55.453  14.898   4.988
  492    HE1  HIS  58           HE1      HIS  58  52.602  12.315   6.694
  493    HE2  HIS  58           HE2      HIS  58  55.062  12.720   6.240
  494    H    HIS  59           HN       HIS  59  53.600  17.811   2.240
  495    HA   HIS  59           HA       HIS  59  51.577  19.783   1.507
  496    HB2  HIS  59           HB2      HIS  59  53.637  20.579   2.701
  497    HB3  HIS  59           HB1      HIS  59  54.647  19.886   1.389
  498    HD1  HIS  59           HD1      HIS  59  55.340  22.573   1.422
  499    HD2  HIS  59           HD2      HIS  59  51.598  21.627  -0.228
  500    HE1  HIS  59           HE1      HIS  59  54.621  24.545   0.004
  501    HE2  HIS  59           HE2      HIS  59  52.361  23.935  -0.970
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  48.516 -17.203 -17.009
    2    H2   MET   1           HT2      MET   1  47.362 -16.326 -16.123
    3    H3   MET   1           HT3      MET   1  48.995 -16.298 -15.653
    4    HA   MET   1           HA       MET   1  48.355 -14.274 -16.746
    5    HB2  MET   1           HB2      MET   1  50.293 -16.050 -18.381
    6    HB3  MET   1           HB1      MET   1  50.101 -14.280 -18.612
    7    HG2  MET   1           HG2      MET   1  52.016 -14.463 -17.327
    8    HG3  MET   1           HG1      MET   1  50.749 -13.933 -16.183
    9    HE1  MET   1           HE1      MET   1  53.228 -15.908 -13.944
   10    HE2  MET   1           HE2      MET   1  52.300 -14.393 -14.218
   11    HE3  MET   1           HE3      MET   1  53.590 -14.879 -15.372
   12    H    LEU   2           HN       LEU   2  46.108 -14.409 -17.350
   13    HA   LEU   2           HA       LEU   2  45.621 -15.285 -20.124
   14    HB2  LEU   2           HB2      LEU   2  43.788 -15.096 -17.669
   15    HB3  LEU   2           HB1      LEU   2  43.132 -15.065 -19.334
   16    HG   LEU   2           HG       LEU   2  44.196 -17.250 -19.835
   17   HD11  LEU   2          HD11      LEU   2  45.967 -17.470 -18.130
   18   HD12  LEU   2          HD12      LEU   2  44.773 -18.791 -17.913
   19   HD13  LEU   2          HD13      LEU   2  44.752 -17.374 -16.797
   20   HD21  LEU   2          HD21      LEU   2  41.792 -17.007 -19.263
   21   HD22  LEU   2          HD22      LEU   2  42.168 -17.215 -17.511
   22   HD23  LEU   2          HD23      LEU   2  42.444 -18.577 -18.662
   23    H    LYS   3           HN       LYS   3  43.941 -13.909 -21.190
   24    HA   LYS   3           HA       LYS   3  44.505 -11.079 -20.726
   25    HB2  LYS   3           HB2      LYS   3  44.860 -11.895 -22.995
   26    HB3  LYS   3           HB1      LYS   3  43.220 -12.593 -23.065
   27    HG2  LYS   3           HG2      LYS   3  43.551  -9.595 -22.522
   28    HG3  LYS   3           HG1      LYS   3  43.915 -10.208 -24.167
   29    HD2  LYS   3           HD2      LYS   3  41.207 -10.606 -22.756
   30    HD3  LYS   3           HD1      LYS   3  41.599  -9.310 -23.932
   31    HE2  LYS   3           HE2      LYS   3  42.117 -11.051 -25.689
   32    HE3  LYS   3           HE1      LYS   3  41.638 -12.352 -24.524
   33    HZ1  LYS   3           HZ1      LYS   3  39.901 -10.153 -25.508
   34    HZ2  LYS   3           HZ2      LYS   3  39.453 -11.369 -24.410
   35    HZ3  LYS   3           HZ3      LYS   3  39.867 -11.777 -26.006
   36    H    ASP   4           HN       ASP   4  43.027  -9.832 -19.724
   37    HA   ASP   4           HA       ASP   4  40.360 -10.967 -19.205
   38    HB2  ASP   4           HB2      ASP   4  41.967  -8.909 -17.565
   39    HB3  ASP   4           HB1      ASP   4  40.331  -9.546 -17.144
   40    H    TYR   5           HN       TYR   5  38.961  -8.812 -18.500
   41    HA   TYR   5           HA       TYR   5  39.054  -7.089 -20.890
   42    HB2  TYR   5           HB2      TYR   5  36.631  -8.052 -19.308
   43    HB3  TYR   5           HB1      TYR   5  36.586  -6.982 -20.770
   44    HD1  TYR   5           HD1      TYR   5  36.624 -10.400 -19.591
   45    HD2  TYR   5           HD2      TYR   5  37.657  -7.892 -22.926
   46    HE1  TYR   5           HE1      TYR   5  36.670 -12.381 -21.062
   47    HE2  TYR   5           HE2      TYR   5  37.687  -9.862 -24.404
   48    HH   TYR   5           HH       TYR   5  37.004 -13.163 -23.146
   49    H    HIS   6           HN       HIS   6  36.689  -5.843 -19.289
   50    HA   HIS   6           HA       HIS   6  38.168  -3.749 -18.053
   51    HB2  HIS   6           HB2      HIS   6  35.926  -3.530 -19.278
   52    HB3  HIS   6           HB1      HIS   6  35.149  -4.399 -17.933
   53    HD1  HIS   6           HD1      HIS   6  37.356  -1.271 -18.334
   54    HD2  HIS   6           HD2      HIS   6  34.183  -2.691 -15.980
   55    HE1  HIS   6           HE1      HIS   6  36.674   0.607 -16.775
   56    HE2  HIS   6           HE2      HIS   6  34.766  -0.292 -15.370
   57    H    LEU   7           HN       LEU   7  36.496  -6.663 -17.145
   58    HA   LEU   7           HA       LEU   7  35.974  -6.267 -14.478
   59    HB2  LEU   7           HB2      LEU   7  36.683  -8.905 -15.899
   60    HB3  LEU   7           HB1      LEU   7  36.060  -8.770 -14.221
   61    HG   LEU   7           HG       LEU   7  34.020  -7.528 -15.220
   62   HD11  LEU   7          HD11      LEU   7  35.007  -8.926 -17.796
   63   HD12  LEU   7          HD12      LEU   7  34.768  -7.152 -17.569
   64   HD13  LEU   7          HD13      LEU   7  33.354  -8.256 -17.537
   65   HD21  LEU   7          HD21      LEU   7  32.856  -9.694 -15.594
   66   HD22  LEU   7          HD22      LEU   7  33.979  -9.778 -14.184
   67   HD23  LEU   7          HD23      LEU   7  34.447 -10.533 -15.756
   68    H    LYS   8           HN       LYS   8  37.147  -6.167 -12.683
   69    HA   LYS   8           HA       LYS   8  40.020  -6.693 -12.844
   70    HB2  LYS   8           HB2      LYS   8  39.095  -4.406 -12.110
   71    HB3  LYS   8           HB1      LYS   8  38.459  -5.215 -10.643
   72    HG2  LYS   8           HG2      LYS   8  40.824  -5.853 -10.014
   73    HG3  LYS   8           HG1      LYS   8  41.409  -5.127 -11.554
   74    HD2  LYS   8           HD2      LYS   8  40.387  -2.904 -10.801
   75    HD3  LYS   8           HD1      LYS   8  40.088  -3.659  -9.194
   76    HE2  LYS   8           HE2      LYS   8  42.589  -4.061  -8.960
   77    HE3  LYS   8           HE1      LYS   8  42.847  -3.275 -10.568
   78    HZ1  LYS   8           HZ1      LYS   8  41.887  -1.263  -9.667
   79    HZ2  LYS   8           HZ2      LYS   8  43.221  -1.776  -8.749
   80    HZ3  LYS   8           HZ3      LYS   8  41.646  -2.009  -8.160
   81    H    GLU   9           HN       GLU   9  40.852  -8.425 -11.653
   82    HA   GLU   9           HA       GLU   9  38.905 -10.076 -10.266
   83    HB2  GLU   9           HB2      GLU   9  40.191 -12.027 -11.060
   84    HB3  GLU   9           HB1      GLU   9  39.554 -11.052 -12.434
   85    HG2  GLU   9           HG2      GLU   9  41.771  -9.998 -12.793
   86    HG3  GLU   9           HG1      GLU   9  42.445 -10.882 -11.376
   87    H    MET  10           HN       MET  10  41.646  -8.154 -10.111
   88    HA   MET  10           HA       MET  10  42.472  -9.341  -7.558
   89    HB2  MET  10           HB2      MET  10  43.938  -8.572 -10.082
   90    HB3  MET  10           HB1      MET  10  44.830  -8.392  -8.496
   91    HG2  MET  10           HG2      MET  10  44.527 -10.787  -8.027
   92    HG3  MET  10           HG1      MET  10  43.532 -10.991  -9.498
   93    HE1  MET  10           HE1      MET  10  45.760 -12.923  -8.863
   94    HE2  MET  10           HE2      MET  10  46.572 -13.097 -10.458
   95    HE3  MET  10           HE3      MET  10  44.783 -12.947 -10.373
   96    HA   PRO  11           HA       PRO  11  41.398  -4.883  -7.257
   97    HB2  PRO  11           HB2      PRO  11  40.161  -5.039  -4.745
   98    HB3  PRO  11           HB1      PRO  11  39.331  -5.300  -6.323
   99    HG2  PRO  11           HG1      PRO  11  40.448  -7.428  -4.435
  100    HG3  PRO  11           HG2      PRO  11  38.841  -7.394  -5.274
  101    HD2  PRO  11           HD1      PRO  11  40.986  -8.837  -6.283
  102    HD3  PRO  11           HD2      PRO  11  39.875  -7.984  -7.401
  103    H    GLU  12           HN       GLU  12  41.943  -6.183  -3.925
  104    HA   GLU  12           HA       GLU  12  43.563  -6.185  -2.567
  105    HB2  GLU  12           HB2      GLU  12  45.582  -5.337  -4.700
  106    HB3  GLU  12           HB1      GLU  12  45.941  -5.964  -3.060
  107    HG2  GLU  12           HG2      GLU  12  44.609  -7.510  -5.387
  108    HG3  GLU  12           HG1      GLU  12  46.293  -7.711  -4.787
  109    H    MET  13           HN       MET  13  43.158  -4.704  -1.096
  110    HA   MET  13           HA       MET  13  42.209  -2.289  -2.027
  111    HB2  MET  13           HB2      MET  13  42.566  -3.248   0.805
  112    HB3  MET  13           HB1      MET  13  41.608  -1.799   0.295
  113    HG2  MET  13           HG2      MET  13  41.113  -4.748  -0.424
  114    HG3  MET  13           HG1      MET  13  40.150  -3.688   0.644
  115    HE1  MET  13           HE1      MET  13  37.875  -4.671  -2.440
  116    HE2  MET  13           HE2      MET  13  38.142  -4.818  -0.668
  117    HE3  MET  13           HE3      MET  13  39.264  -5.626  -1.818
  118    H    GLU  14           HN       GLU  14  42.658  -0.132  -1.363
  119    HA   GLU  14           HA       GLU  14  45.492   0.234  -1.897
  120    HB2  GLU  14           HB2      GLU  14  44.752   2.189  -3.181
  121    HB3  GLU  14           HB1      GLU  14  43.837   0.722  -3.675
  122    HG2  GLU  14           HG2      GLU  14  41.852   1.462  -2.348
  123    HG3  GLU  14           HG1      GLU  14  42.741   2.932  -1.806
  124    H    ASP  15           HN       ASP  15  42.931   1.055   0.303
  125    HA   ASP  15           HA       ASP  15  44.321   3.378   1.298
  126    HB2  ASP  15           HB2      ASP  15  42.552   3.772   2.795
  127    HB3  ASP  15           HB1      ASP  15  41.870   3.459   1.167
  128    H    GLU  16           HN       GLU  16  44.213  -0.025   1.786
  129    HA   GLU  16           HA       GLU  16  45.363  -0.165   4.369
  130    HB2  GLU  16           HB2      GLU  16  44.214  -2.103   3.303
  131    HB3  GLU  16           HB1      GLU  16  45.374  -2.061   1.943
  132    HG2  GLU  16           HG2      GLU  16  45.878  -3.927   3.485
  133    HG3  GLU  16           HG1      GLU  16  47.238  -2.754   3.447
  134    H    PHE  17           HN       PHE  17  46.547   0.152   0.992
  135    HA   PHE  17           HA       PHE  17  49.292  -0.008   1.600
  136    HB2  PHE  17           HB2      PHE  17  48.443  -0.386  -0.703
  137    HB3  PHE  17           HB1      PHE  17  47.807   1.284  -0.769
  138    HD1  PHE  17           HD1      PHE  17  50.921  -0.756  -0.657
  139    HD2  PHE  17           HD2      PHE  17  49.246   3.149  -1.243
  140    HE1  PHE  17           HE1      PHE  17  53.095   0.037  -1.534
  141    HE2  PHE  17           HE2      PHE  17  51.451   3.966  -2.040
  142    HZ   PHE  17           HZ       PHE  17  53.384   2.418  -2.112
  143    H    LEU  18           HN       LEU  18  46.911   2.687   1.580
  144    HA   LEU  18           HA       LEU  18  48.848   4.724   1.666
  145    HB2  LEU  18           HB2      LEU  18  45.855   4.511   2.086
  146    HB3  LEU  18           HB1      LEU  18  46.623   6.046   2.514
  147    HG   LEU  18           HG       LEU  18  46.953   4.700  -0.233
  148   HD11  LEU  18          HD11      LEU  18  44.550   5.234   0.127
  149   HD12  LEU  18          HD12      LEU  18  45.279   6.320  -1.112
  150   HD13  LEU  18          HD13      LEU  18  44.975   6.933   0.559
  151   HD21  LEU  18          HD21      LEU  18  47.547   7.591   0.664
  152   HD22  LEU  18          HD22      LEU  18  47.691   6.943  -1.012
  153   HD23  LEU  18          HD23      LEU  18  48.771   6.324   0.280
  154    H    GLU  19           HN       GLU  19  47.285   2.796   4.220
  155    HA   GLU  19           HA       GLU  19  48.271   4.597   6.289
  156    HB2  GLU  19           HB2      GLU  19  46.649   1.991   6.398
  157    HB3  GLU  19           HB1      GLU  19  47.119   2.978   7.834
  158    HG2  GLU  19           HG2      GLU  19  45.862   4.935   6.905
  159    HG3  GLU  19           HG1      GLU  19  45.314   3.947   5.513
  160    H    TYR  20           HN       TYR  20  49.377   1.912   4.441
  161    HA   TYR  20           HA       TYR  20  50.992   0.651   6.406
  162    HB2  TYR  20           HB2      TYR  20  50.460   0.303   3.583
  163    HB3  TYR  20           HB1      TYR  20  52.102   0.705   3.551
  164    HD1  TYR  20           HD1      TYR  20  49.753  -1.789   5.012
  165    HD2  TYR  20           HD2      TYR  20  53.819  -0.597   4.426
  166    HE1  TYR  20           HE1      TYR  20  50.496  -4.068   5.646
  167    HE2  TYR  20           HE2      TYR  20  54.595  -2.880   5.043
  168    HH   TYR  20           HH       TYR  20  53.986  -4.954   5.669
  169    H    CYS  21           HN       CYS  21  51.287   3.152   3.951
  170    HA   CYS  21           HA       CYS  21  53.923   2.971   3.798
  171    HB2  CYS  21           HB2      CYS  21  52.079   5.221   2.836
  172    HB3  CYS  21           HB1      CYS  21  53.834   5.274   2.492
  173    HG   CYS  21           HG1      CYS  21  54.049   3.023   1.337
  174    H    ALA  22           HN       ALA  22  52.197   4.523   6.227
  175    HA   ALA  22           HA       ALA  22  53.721   6.740   6.959
  176    HB1  ALA  22           HB1      ALA  22  52.529   6.456   9.152
  177    HB2  ALA  22           HB2      ALA  22  52.007   4.800   8.638
  178    HB3  ALA  22           HB3      ALA  22  51.395   6.246   7.761
  179    H    LYS  23           HN       LYS  23  54.376   3.356   7.046
  180    HA   LYS  23           HA       LYS  23  56.659   3.594   8.822
  181    HB2  LYS  23           HB2      LYS  23  55.309   1.433   8.814
  182    HB3  LYS  23           HB1      LYS  23  55.666   1.257   7.074
  183    HG2  LYS  23           HG2      LYS  23  58.228   1.599   8.258
  184    HG3  LYS  23           HG1      LYS  23  57.337   0.637   9.476
  185    HD2  LYS  23           HD2      LYS  23  57.681  -0.043   6.481
  186    HD3  LYS  23           HD1      LYS  23  58.628  -0.749   7.836
  187    HE2  LYS  23           HE2      LYS  23  56.533  -1.789   8.774
  188    HE3  LYS  23           HE1      LYS  23  55.578  -1.107   7.393
  189    HZ1  LYS  23           HZ1      LYS  23  57.860  -2.998   7.176
  190    HZ2  LYS  23           HZ2      LYS  23  56.963  -2.356   5.886
  191    HZ3  LYS  23           HZ3      LYS  23  56.212  -3.375   7.019
  192    H    ASN  24           HN       ASN  24  57.446   5.326   7.562
  193    HA   ASN  24           HA       ASN  24  58.065   5.160   4.856
  194    HB2  ASN  24           HB2      ASN  24  59.305   6.996   6.987
  195    HB3  ASN  24           HB1      ASN  24  59.503   7.186   5.217
  196   HD21  ASN  24          HD21      ASN  24  56.035   8.187   4.644
  197   HD22  ASN  24          HD22      ASN  24  57.321   7.268   3.937
  198    HA   PRO  25           HA       PRO  25  62.496   3.787   6.046
  199    HB2  PRO  25           HB2      PRO  25  62.622   2.230   8.462
  200    HB3  PRO  25           HB1      PRO  25  63.213   3.940   8.285
  201    HG2  PRO  25           HG1      PRO  25  60.506   2.953   9.316
  202    HG3  PRO  25           HG2      PRO  25  61.567   4.253  10.008
  203    HD2  PRO  25           HD1      PRO  25  59.419   4.915   8.457
  204    HD3  PRO  25           HD2      PRO  25  61.000   5.767   8.174
  205    H    SER  26           HN       SER  26  63.139   1.781   5.192
  206    HA   SER  26           HA       SER  26  62.888  -0.114   4.221
  207    HB2  SER  26           HB2      SER  26  61.307  -0.805   6.746
  208    HB3  SER  26           HB1      SER  26  61.659  -2.028   5.444
  209    HG   SER  26           HG1      SER  26  63.176  -2.037   7.097
  210    H    TYR  27           HN       TYR  27  61.802   1.444   2.788
  211    HA   TYR  27           HA       TYR  27  58.991   1.402   2.536
  212    HB2  TYR  27           HB2      TYR  27  59.250   2.836   0.718
  213    HB3  TYR  27           HB1      TYR  27  60.564   3.326   1.855
  214    HD1  TYR  27           HD1      TYR  27  59.840   3.206  -1.427
  215    HD2  TYR  27           HD2      TYR  27  62.833   1.565   1.190
  216    HE1  TYR  27           HE1      TYR  27  61.333   2.887  -3.341
  217    HE2  TYR  27           HE2      TYR  27  64.358   1.297  -0.718
  218    HH   TYR  27           HH       TYR  27  64.644   1.528  -2.944
  219    H    GLU  28           HN       GLU  28  61.612  -0.458   1.524
  220    HA   GLU  28           HA       GLU  28  60.725  -1.733  -0.764
  221    HB2  GLU  28           HB2      GLU  28  62.464  -3.531   0.119
  222    HB3  GLU  28           HB1      GLU  28  63.026  -1.907  -0.385
  223    HG2  GLU  28           HG2      GLU  28  63.220  -1.101   1.900
  224    HG3  GLU  28           HG1      GLU  28  62.430  -2.563   2.578
  225    H    GLU  29           HN       GLU  29  60.017  -2.209   2.704
  226    HA   GLU  29           HA       GLU  29  58.814  -4.804   2.247
  227    HB2  GLU  29           HB2      GLU  29  59.005  -2.990   4.703
  228    HB3  GLU  29           HB1      GLU  29  58.265  -4.635   4.708
  229    HG2  GLU  29           HG2      GLU  29  60.407  -5.679   4.082
  230    HG3  GLU  29           HG1      GLU  29  61.205  -4.074   3.939
  231    H    ALA  30           HN       ALA  30  57.864  -1.571   1.751
  232    HA   ALA  30           HA       ALA  30  55.024  -2.188   2.219
  233    HB1  ALA  30           HB1      ALA  30  54.639   0.250   1.950
  234    HB2  ALA  30           HB2      ALA  30  56.402   0.506   1.645
  235    HB3  ALA  30           HB3      ALA  30  55.839  -0.050   3.261
  236    H    TYR  31           HN       TYR  31  57.548  -2.024  -0.123
  237    HA   TYR  31           HA       TYR  31  55.783  -1.466  -2.375
  238    HB2  TYR  31           HB2      TYR  31  57.988  -0.364  -2.502
  239    HB3  TYR  31           HB1      TYR  31  58.778  -1.801  -1.889
  240    HD1  TYR  31           HD1      TYR  31  56.352  -1.890  -4.722
  241    HD2  TYR  31           HD2      TYR  31  60.473  -1.867  -3.564
  242    HE1  TYR  31           HE1      TYR  31  56.956  -2.744  -6.951
  243    HE2  TYR  31           HE2      TYR  31  61.118  -2.615  -5.825
  244    HH   TYR  31           HH       TYR  31  60.406  -3.281  -7.855
  245    H    LEU  32           HN       LEU  32  58.187  -3.979  -1.397
  246    HA   LEU  32           HA       LEU  32  57.455  -5.665  -3.472
  247    HB2  LEU  32           HB2      LEU  32  59.011  -6.166  -0.876
  248    HB3  LEU  32           HB1      LEU  32  58.990  -7.297  -2.260
  249    HG   LEU  32           HG       LEU  32  59.926  -4.355  -2.472
  250   HD11  LEU  32          HD11      LEU  32  62.262  -5.172  -2.287
  251   HD12  LEU  32          HD12      LEU  32  61.679  -6.854  -1.989
  252   HD13  LEU  32          HD13      LEU  32  61.336  -5.552  -0.789
  253   HD21  LEU  32          HD21      LEU  32  61.107  -5.136  -4.532
  254   HD22  LEU  32          HD22      LEU  32  59.328  -5.377  -4.658
  255   HD23  LEU  32          HD23      LEU  32  60.407  -6.784  -4.321
  256    H    LYS  33           HN       LYS  33  56.314  -5.416  -0.181
  257    HA   LYS  33           HA       LYS  33  55.107  -7.906   0.158
  258    HB2  LYS  33           HB2      LYS  33  55.445  -6.193   1.990
  259    HB3  LYS  33           HB1      LYS  33  54.246  -5.144   1.231
  260    HG2  LYS  33           HG2      LYS  33  53.229  -7.917   1.827
  261    HG3  LYS  33           HG1      LYS  33  53.822  -7.022   3.270
  262    HD2  LYS  33           HD2      LYS  33  52.363  -5.141   2.765
  263    HD3  LYS  33           HD1      LYS  33  51.864  -5.886   1.208
  264    HE2  LYS  33           HE2      LYS  33  51.254  -6.983   4.043
  265    HE3  LYS  33           HE1      LYS  33  50.098  -6.176   2.911
  266    HZ1  LYS  33           HZ1      LYS  33  51.496  -8.741   2.405
  267    HZ2  LYS  33           HZ2      LYS  33  50.404  -7.965   1.361
  268    HZ3  LYS  33           HZ3      LYS  33  49.872  -8.548   2.865
  269    H    PHE  34           HN       PHE  34  53.865  -4.789  -1.144
  270    HA   PHE  34           HA       PHE  34  51.312  -5.884  -1.886
  271    HB2  PHE  34           HB2      PHE  34  52.682  -3.146  -2.314
  272    HB3  PHE  34           HB1      PHE  34  51.066  -3.538  -2.981
  273    HD1  PHE  34           HD1      PHE  34  49.118  -3.325  -1.584
  274    HD2  PHE  34           HD2      PHE  34  53.029  -3.388   0.192
  275    HE1  PHE  34           HE1      PHE  34  48.150  -2.671   0.593
  276    HE2  PHE  34           HE2      PHE  34  52.072  -2.818   2.365
  277    HZ   PHE  34           HZ       PHE  34  49.622  -2.373   2.570
  278    H    GLY  35           HN       GLY  35  53.428  -3.897  -3.971
  279    HA2  GLY  35           HA2      GLY  35  54.795  -5.536  -5.415
  280    HA3  GLY  35           HA1      GLY  35  53.167  -5.709  -6.193
  281    H    ASP  36           HN       ASP  36  52.869  -4.391  -7.868
  282    HA   ASP  36           HA       ASP  36  54.593  -2.197  -8.302
  283    HB2  ASP  36           HB2      ASP  36  52.044  -2.988  -9.814
  284    HB3  ASP  36           HB1      ASP  36  53.329  -1.872 -10.415
  285    H    LYS  37           HN       LYS  37  52.210  -2.315  -6.108
  286    HA   LYS  37           HA       LYS  37  50.551  -0.182  -6.699
  287    HB2  LYS  37           HB2      LYS  37  50.089  -2.069  -5.074
  288    HB3  LYS  37           HB1      LYS  37  51.245  -1.314  -3.947
  289    HG2  LYS  37           HG2      LYS  37  48.940  -0.771  -3.348
  290    HG3  LYS  37           HG1      LYS  37  49.832   0.724  -3.792
  291    HD2  LYS  37           HD2      LYS  37  48.739   0.800  -5.994
  292    HD3  LYS  37           HD1      LYS  37  48.003  -0.825  -5.724
  293    HE2  LYS  37           HE2      LYS  37  46.708   0.077  -3.803
  294    HE3  LYS  37           HE1      LYS  37  47.392   1.732  -4.084
  295    HZ1  LYS  37           HZ1      LYS  37  45.762   0.160  -6.016
  296    HZ2  LYS  37           HZ2      LYS  37  46.430   1.696  -6.292
  297    HZ3  LYS  37           HZ3      LYS  37  45.241   1.490  -5.097
  298    H    LEU  38           HN       LEU  38  53.700  -0.427  -5.021
  299    HA   LEU  38           HA       LEU  38  53.589   2.328  -4.136
  300    HB2  LEU  38           HB2      LEU  38  54.826   0.443  -2.817
  301    HB3  LEU  38           HB1      LEU  38  55.969   0.372  -4.116
  302    HG   LEU  38           HG       LEU  38  55.505   3.121  -2.983
  303   HD11  LEU  38          HD11      LEU  38  55.281   1.796  -0.898
  304   HD12  LEU  38          HD12      LEU  38  56.801   2.764  -0.908
  305   HD13  LEU  38          HD13      LEU  38  56.859   0.992  -1.220
  306   HD21  LEU  38          HD21      LEU  38  57.314   2.675  -4.643
  307   HD22  LEU  38          HD22      LEU  38  58.081   1.509  -3.503
  308   HD23  LEU  38          HD23      LEU  38  57.987   3.264  -3.078
  309    H    LEU  39           HN       LEU  39  54.619   0.618  -7.034
  310    HA   LEU  39           HA       LEU  39  56.379   2.669  -7.896
  311    HB2  LEU  39           HB2      LEU  39  54.879   0.555  -9.524
  312    HB3  LEU  39           HB1      LEU  39  56.202   1.602 -10.130
  313    HG   LEU  39           HG       LEU  39  56.394  -0.528  -7.915
  314   HD11  LEU  39          HD11      LEU  39  56.140  -1.420 -10.231
  315   HD12  LEU  39          HD12      LEU  39  57.772  -1.783  -9.549
  316   HD13  LEU  39          HD13      LEU  39  57.570  -0.458 -10.761
  317   HD21  LEU  39          HD21      LEU  39  58.621   1.281  -9.059
  318   HD22  LEU  39          HD22      LEU  39  58.885  -0.158  -8.007
  319   HD23  LEU  39          HD23      LEU  39  58.005   1.269  -7.362
  320    H    GLU  40           HN       GLU  40  52.920   1.885  -8.573
  321    HA   GLU  40           HA       GLU  40  52.619   3.976 -10.448
  322    HB2  GLU  40           HB2      GLU  40  50.163   3.535 -10.225
  323    HB3  GLU  40           HB1      GLU  40  51.131   2.064 -10.607
  324    HG2  GLU  40           HG2      GLU  40  51.010   1.383  -8.195
  325    HG3  GLU  40           HG1      GLU  40  50.086   2.852  -7.806
  326    H    TYR  41           HN       TYR  41  52.073   3.783  -6.909
  327    HA   TYR  41           HA       TYR  41  50.596   6.238  -6.821
  328    HB2  TYR  41           HB2      TYR  41  51.618   4.153  -4.839
  329    HB3  TYR  41           HB1      TYR  41  51.360   5.773  -4.196
  330    HD1  TYR  41           HD1      TYR  41  49.580   5.178  -2.727
  331    HD2  TYR  41           HD2      TYR  41  49.109   4.511  -6.970
  332    HE1  TYR  41           HE1      TYR  41  47.167   4.879  -2.436
  333    HE2  TYR  41           HE2      TYR  41  46.716   4.249  -6.661
  334    HH   TYR  41           HH       TYR  41  45.178   4.538  -3.428
  335    H    GLU  42           HN       GLU  42  53.933   5.322  -6.855
  336    HA   GLU  42           HA       GLU  42  54.981   7.740  -5.754
  337    HB2  GLU  42           HB2      GLU  42  56.275   5.600  -5.884
  338    HB3  GLU  42           HB1      GLU  42  56.277   5.721  -7.673
  339    HG2  GLU  42           HG2      GLU  42  57.592   7.916  -7.440
  340    HG3  GLU  42           HG1      GLU  42  57.631   7.638  -5.658
  341    H    LEU  43           HN       LEU  43  54.329   6.476  -9.038
  342    HA   LEU  43           HA       LEU  43  55.231   8.752 -10.440
  343    HB2  LEU  43           HB2      LEU  43  53.438   6.359 -11.136
  344    HB3  LEU  43           HB1      LEU  43  53.902   7.573 -12.364
  345    HG   LEU  43           HG       LEU  43  55.926   5.919 -10.745
  346   HD11  LEU  43          HD11      LEU  43  54.845   5.385 -13.583
  347   HD12  LEU  43          HD12      LEU  43  54.494   4.411 -12.104
  348   HD13  LEU  43          HD13      LEU  43  56.173   4.484 -12.756
  349   HD21  LEU  43          HD21      LEU  43  56.906   8.012 -11.655
  350   HD22  LEU  43          HD22      LEU  43  56.280   7.613 -13.299
  351   HD23  LEU  43          HD23      LEU  43  57.541   6.576 -12.532
  352    H    LEU  44           HN       LEU  44  52.277   7.973  -8.755
  353    HA   LEU  44           HA       LEU  44  50.578   9.706 -10.246
  354    HB2  LEU  44           HB2      LEU  44  49.701   7.666  -9.306
  355    HB3  LEU  44           HB1      LEU  44  50.273   8.131  -7.679
  356    HG   LEU  44           HG       LEU  44  48.601   9.834  -7.460
  357   HD11  LEU  44          HD11      LEU  44  47.747   9.245 -10.376
  358   HD12  LEU  44          HD12      LEU  44  48.496  10.771  -9.772
  359   HD13  LEU  44          HD13      LEU  44  46.852  10.299  -9.218
  360   HD21  LEU  44          HD21      LEU  44  47.319   7.293  -8.642
  361   HD22  LEU  44          HD22      LEU  44  46.531   8.467  -7.520
  362   HD23  LEU  44          HD23      LEU  44  47.939   7.487  -6.962
  363    H    GLY  45           HN       GLY  45  51.176   9.737  -6.653
  364    HA2  GLY  45           HA2      GLY  45  52.613  11.777  -6.127
  365    HA3  GLY  45           HA1      GLY  45  51.156  12.651  -6.764
  366    H    LYS  46           HN       LYS  46  51.123   9.557  -5.038
  367    HA   LYS  46           HA       LYS  46  49.466  10.686  -2.922
  368    HB2  LYS  46           HB2      LYS  46  50.308   7.862  -3.712
  369    HB3  LYS  46           HB1      LYS  46  49.306   8.206  -2.261
  370    HG2  LYS  46           HG2      LYS  46  48.469   9.047  -5.109
  371    HG3  LYS  46           HG1      LYS  46  48.167   7.410  -4.453
  372    HD2  LYS  46           HD2      LYS  46  46.944   8.396  -2.508
  373    HD3  LYS  46           HD1      LYS  46  47.102  10.031  -3.255
  374    HE2  LYS  46           HE2      LYS  46  45.837   9.222  -5.276
  375    HE3  LYS  46           HE1      LYS  46  45.738   7.566  -4.549
  376    HZ1  LYS  46           HZ1      LYS  46  44.478   8.500  -2.729
  377    HZ2  LYS  46           HZ2      LYS  46  43.729   8.819  -4.219
  378    HZ3  LYS  46           HZ3      LYS  46  44.569  10.053  -3.409
  379    H    ILE  47           HN       ILE  47  52.412   8.823  -3.582
  380    HA   ILE  47           HA       ILE  47  53.688   9.655  -1.061
  381    HB   ILE  47           HB       ILE  47  55.116   7.627  -1.457
  382   HG12  ILE  47          HG12      ILE  47  52.866   6.480  -3.119
  383   HG13  ILE  47          HG11      ILE  47  53.969   7.584  -3.977
  384   HG21  ILE  47          HG21      ILE  47  52.113   7.142  -0.921
  385   HG22  ILE  47          HG22      ILE  47  53.330   7.720   0.281
  386   HG23  ILE  47          HG23      ILE  47  53.481   6.075  -0.438
  387   HD11  ILE  47           HD1      ILE  47  54.865   5.196  -2.368
  388   HD12  ILE  47           HD2      ILE  47  55.938   6.242  -3.364
  389   HD13  ILE  47           HD3      ILE  47  54.684   5.200  -4.153
  390    H    LYS  48           HN       LYS  48  56.239   9.476  -1.613
  391    HA   LYS  48           HA       LYS  48  56.797   9.503  -4.404
  392    HB2  LYS  48           HB2      LYS  48  57.982  11.695  -2.539
  393    HB3  LYS  48           HB1      LYS  48  58.473  11.444  -4.245
  394    HG2  LYS  48           HG2      LYS  48  56.210  12.146  -5.011
  395    HG3  LYS  48           HG1      LYS  48  55.714  12.438  -3.305
  396    HD2  LYS  48           HD2      LYS  48  58.025  13.868  -4.752
  397    HD3  LYS  48           HD1      LYS  48  56.360  14.520  -4.525
  398    HE2  LYS  48           HE2      LYS  48  56.677  14.435  -2.016
  399    HE3  LYS  48           HE1      LYS  48  58.374  13.850  -2.267
  400    HZ1  LYS  48           HZ1      LYS  48  58.838  15.874  -3.467
  401    HZ2  LYS  48           HZ2      LYS  48  58.277  16.203  -1.898
  402    HZ3  LYS  48           HZ3      LYS  48  57.249  16.426  -3.232
  403    H    ARG  49           HN       ARG  49  59.285   9.246  -4.666
  404    HA   ARG  49           HA       ARG  49  60.682   8.580  -2.234
  405    HB2  ARG  49           HB2      ARG  49  59.744   6.365  -2.898
  406    HB3  ARG  49           HB1      ARG  49  60.493   6.521  -4.513
  407    HG2  ARG  49           HG2      ARG  49  62.255   6.810  -2.034
  408    HG3  ARG  49           HG1      ARG  49  61.597   5.195  -2.392
  409    HD2  ARG  49           HD2      ARG  49  63.388   6.849  -4.310
  410    HD3  ARG  49           HD1      ARG  49  63.904   5.469  -3.276
  411    HE   ARG  49           HE       ARG  49  62.457   3.965  -4.556
  412   HH11  ARG  49          HH11      ARG  49  61.874   3.271  -6.680
  413   HH12  ARG  49          HH12      ARG  49  61.889   4.387  -8.003
  414   HH21  ARG  49          HH21      ARG  49  62.936   7.179  -6.075
  415   HH22  ARG  49          HH22      ARG  49  62.498   6.627  -7.657
  416    H    ILE  50           HN       ILE  50  62.876   9.227  -2.533
  417    HA   ILE  50           HA       ILE  50  63.838   9.640  -5.184
  418    HB   ILE  50           HB       ILE  50  62.506  11.649  -5.050
  419   HG12  ILE  50          HG12      ILE  50  64.216  13.426  -5.278
  420   HG13  ILE  50          HG11      ILE  50  65.480  12.335  -4.633
  421   HG21  ILE  50          HG21      ILE  50  63.953  12.339  -2.417
  422   HG22  ILE  50          HG22      ILE  50  62.244  11.772  -2.569
  423   HG23  ILE  50          HG23      ILE  50  62.745  13.339  -3.291
  424   HD11  ILE  50           HD1      ILE  50  65.506  12.481  -7.148
  425   HD12  ILE  50           HD2      ILE  50  63.821  11.841  -7.203
  426   HD13  ILE  50           HD3      ILE  50  65.168  10.801  -6.603
  427    H    ASN  51           HN       ASN  51  64.177  10.072  -1.641
  428    HA   ASN  51           HA       ASN  51  66.979  10.492  -1.827
  429    HB2  ASN  51           HB2      ASN  51  65.544  11.551  -0.069
  430    HB3  ASN  51           HB1      ASN  51  65.175   9.944   0.622
  431   HD21  ASN  51          HD21      ASN  51  68.074   9.991   2.671
  432   HD22  ASN  51          HD22      ASN  51  66.475   9.401   2.362
  433    H    HIS  52           HN       HIS  52  65.256   8.030   0.161
  434    HA   HIS  52           HA       HIS  52  66.898   5.897  -0.964
  435    HB2  HIS  52           HB2      HIS  52  68.174   6.704   1.063
  436    HB3  HIS  52           HB1      HIS  52  66.671   6.624   2.036
  437    HD1  HIS  52           HD1      HIS  52  68.194   4.997   3.543
  438    HD2  HIS  52           HD2      HIS  52  67.120   3.441  -0.206
  439    HE1  HIS  52           HE1      HIS  52  68.570   2.493   3.628
  440    HE2  HIS  52           HE2      HIS  52  67.911   1.595   1.352
  441    H    ILE  53           HN       ILE  53  64.348   7.122   1.244
  442    HA   ILE  53           HA       ILE  53  62.860   4.609   0.935
  443    HB   ILE  53           HB       ILE  53  61.913   5.076   3.146
  444   HG12  ILE  53          HG12      ILE  53  64.221   7.106   3.469
  445   HG13  ILE  53          HG11      ILE  53  62.515   7.576   3.140
  446   HG21  ILE  53          HG21      ILE  53  64.968   4.655   3.026
  447   HG22  ILE  53          HG22      ILE  53  63.706   3.401   2.722
  448   HG23  ILE  53          HG23      ILE  53  63.866   4.139   4.351
  449   HD11  ILE  53           HD1      ILE  53  61.781   6.294   5.149
  450   HD12  ILE  53           HD2      ILE  53  62.846   7.704   5.545
  451   HD13  ILE  53           HD3      ILE  53  63.507   6.024   5.608
  452    H    VAL  54           HN       VAL  54  60.487   5.053   1.507
  453    HA   VAL  54           HA       VAL  54  59.586   6.977  -0.358
  454    HB   VAL  54           HB       VAL  54  58.644   4.657  -0.037
  455   HG11  VAL  54          HG11      VAL  54  57.262   5.842   2.464
  456   HG12  VAL  54          HG12      VAL  54  58.634   4.672   2.503
  457   HG13  VAL  54          HG13      VAL  54  57.058   4.196   1.776
  458   HG21  VAL  54          HG21      VAL  54  56.293   5.279  -0.424
  459   HG22  VAL  54          HG22      VAL  54  57.422   6.330  -1.348
  460   HG23  VAL  54          HG23      VAL  54  56.613   6.952   0.146
  461    H    VAL  55           HN       VAL  55  58.231   8.808   0.157
  462    HA   VAL  55           HA       VAL  55  58.029   9.526   2.993
  463    HB   VAL  55           HB       VAL  55  58.073  11.917   2.328
  464   HG11  VAL  55          HG11      VAL  55  60.073  10.760   3.296
  465   HG12  VAL  55          HG12      VAL  55  60.545  12.061   2.140
  466   HG13  VAL  55          HG13      VAL  55  60.640  10.334   1.637
  467   HG21  VAL  55          HG21      VAL  55  57.485  11.665  -0.113
  468   HG22  VAL  55          HG22      VAL  55  59.067  10.850  -0.412
  469   HG23  VAL  55          HG23      VAL  55  59.018  12.569   0.108
  470    H    LEU  56           HN       LEU  56  55.990  10.690   3.410
  471    HA   LEU  56           HA       LEU  56  53.883   9.948   1.526
  472    HB2  LEU  56           HB2      LEU  56  53.807  11.435   4.213
  473    HB3  LEU  56           HB1      LEU  56  52.358  11.020   3.238
  474    HG   LEU  56           HG       LEU  56  54.306   8.925   4.377
  475   HD11  LEU  56          HD11      LEU  56  51.669   9.958   5.598
  476   HD12  LEU  56          HD12      LEU  56  53.329  10.247   6.242
  477   HD13  LEU  56          HD13      LEU  56  52.653   8.576   6.209
  478   HD21  LEU  56          HD21      LEU  56  52.958   8.033   2.513
  479   HD22  LEU  56          HD22      LEU  56  51.441   8.641   3.280
  480   HD23  LEU  56          HD23      LEU  56  52.399   7.342   4.082
  481    H    ALA  57           HN       ALA  57  52.613  11.646   0.481
  482    HA   ALA  57           HA       ALA  57  54.160  14.079   0.052
  483    HB1  ALA  57           HB1      ALA  57  51.642  13.074  -1.386
  484    HB2  ALA  57           HB2      ALA  57  53.333  12.836  -1.950
  485    HB3  ALA  57           HB3      ALA  57  52.651  14.497  -1.852
  486    H    HIS  58           HN       HIS  58  53.297  14.079   2.604
  487    HA   HIS  58           HA       HIS  58  50.871  15.657   2.783
  488    HB2  HIS  58           HB2      HIS  58  51.471  15.760   5.257
  489    HB3  HIS  58           HB1      HIS  58  51.099  14.133   4.605
  490    HD1  HIS  58           HD1      HIS  58  52.424  13.673   6.976
  491    HD2  HIS  58           HD2      HIS  58  54.761  14.692   3.641
  492    HE1  HIS  58           HE1      HIS  58  54.779  12.856   7.424
  493    HE2  HIS  58           HE2      HIS  58  56.151  13.489   5.389
  494    H    HIS  59           HN       HIS  59  50.881  17.855   2.967
  495    HA   HIS  59           HA       HIS  59  53.416  19.136   2.305
  496    HB2  HIS  59           HB2      HIS  59  50.519  20.161   2.183
  497    HB3  HIS  59           HB1      HIS  59  51.983  21.094   1.711
  498    HD1  HIS  59           HD1      HIS  59  50.117  17.919   0.659
  499    HD2  HIS  59           HD2      HIS  59  52.857  20.699  -0.885
  500    HE1  HIS  59           HE1      HIS  59  50.437  17.378  -1.795
  501    HE2  HIS  59           HE2      HIS  59  52.097  19.072  -2.686
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  29.412   3.442   8.847
    2    H2   MET   1           HT2      MET   1  29.876   1.917   9.436
    3    H3   MET   1           HT3      MET   1  30.947   2.816   8.472
    4    HA   MET   1           HA       MET   1  31.121   4.491  10.128
    5    HB2  MET   1           HB2      MET   1  29.343   2.611  11.832
    6    HB3  MET   1           HB1      MET   1  30.181   4.076  12.448
    7    HG2  MET   1           HG2      MET   1  27.936   3.968  10.355
    8    HG3  MET   1           HG1      MET   1  27.798   4.443  12.077
    9    HE1  MET   1           HE1      MET   1  26.488   6.526  11.341
   10    HE2  MET   1           HE2      MET   1  26.677   6.048   9.618
   11    HE3  MET   1           HE3      MET   1  27.041   7.732  10.128
   12    H    LEU   2           HN       LEU   2  30.721   1.108  11.324
   13    HA   LEU   2           HA       LEU   2  33.295   1.277  12.590
   14    HB2  LEU   2           HB2      LEU   2  31.037   0.468  13.626
   15    HB3  LEU   2           HB1      LEU   2  31.263  -1.033  12.707
   16    HG   LEU   2           HG       LEU   2  33.600  -1.179  13.917
   17   HD11  LEU   2          HD11      LEU   2  32.244   0.985  15.659
   18   HD12  LEU   2          HD12      LEU   2  33.751   1.185  14.695
   19   HD13  LEU   2          HD13      LEU   2  33.735   0.067  16.108
   20   HD21  LEU   2          HD21      LEU   2  32.596  -2.176  15.965
   21   HD22  LEU   2          HD22      LEU   2  31.670  -2.639  14.488
   22   HD23  LEU   2          HD23      LEU   2  31.022  -1.374  15.600
   23    H    LYS   3           HN       LYS   3  32.642  -1.970  11.916
   24    HA   LYS   3           HA       LYS   3  34.595  -2.037   9.752
   25    HB2  LYS   3           HB2      LYS   3  34.947  -3.467  11.745
   26    HB3  LYS   3           HB1      LYS   3  33.358  -4.253  11.504
   27    HG2  LYS   3           HG2      LYS   3  35.408  -4.329   9.234
   28    HG3  LYS   3           HG1      LYS   3  35.708  -5.321  10.701
   29    HD2  LYS   3           HD2      LYS   3  33.564  -6.488  10.462
   30    HD3  LYS   3           HD1      LYS   3  33.136  -5.492   9.032
   31    HE2  LYS   3           HE2      LYS   3  35.137  -6.431   7.792
   32    HE3  LYS   3           HE1      LYS   3  35.503  -7.482   9.221
   33    HZ1  LYS   3           HZ1      LYS   3  34.260  -8.636   7.540
   34    HZ2  LYS   3           HZ2      LYS   3  33.000  -7.499   7.615
   35    HZ3  LYS   3           HZ3      LYS   3  33.333  -8.488   8.956
   36    H    ASP   4           HN       ASP   4  33.944  -2.506   7.649
   37    HA   ASP   4           HA       ASP   4  31.095  -2.549   7.171
   38    HB2  ASP   4           HB2      ASP   4  33.470  -2.599   5.207
   39    HB3  ASP   4           HB1      ASP   4  31.732  -2.501   4.733
   40    H    TYR   5           HN       TYR   5  29.922  -4.317   6.736
   41    HA   TYR   5           HA       TYR   5  31.244  -6.874   7.038
   42    HB2  TYR   5           HB2      TYR   5  28.285  -6.161   7.070
   43    HB3  TYR   5           HB1      TYR   5  29.009  -7.753   7.549
   44    HD1  TYR   5           HD1      TYR   5  30.931  -7.574   9.382
   45    HD2  TYR   5           HD2      TYR   5  27.892  -4.598   8.757
   46    HE1  TYR   5           HE1      TYR   5  31.323  -6.700  11.654
   47    HE2  TYR   5           HE2      TYR   5  28.274  -3.725  11.031
   48    HH   TYR   5           HH       TYR   5  29.467  -3.899  12.934
   49    H    HIS   6           HN       HIS   6  28.490  -7.642   5.661
   50    HA   HIS   6           HA       HIS   6  29.567  -8.359   3.135
   51    HB2  HIS   6           HB2      HIS   6  27.809  -9.624   4.500
   52    HB3  HIS   6           HB1      HIS   6  26.618  -8.374   4.060
   53    HD1  HIS   6           HD1      HIS   6  26.034  -8.274   1.410
   54    HD2  HIS   6           HD2      HIS   6  28.320 -11.593   2.585
   55    HE1  HIS   6           HE1      HIS   6  25.924  -9.969  -0.470
   56    HE2  HIS   6           HE2      HIS   6  27.320 -11.948   0.274
   57    H    LEU   7           HN       LEU   7  27.626  -5.829   4.481
   58    HA   LEU   7           HA       LEU   7  26.194  -4.637   2.636
   59    HB2  LEU   7           HB2      LEU   7  28.075  -3.199   4.605
   60    HB3  LEU   7           HB1      LEU   7  26.624  -2.466   3.834
   61    HG   LEU   7           HG       LEU   7  26.627  -4.882   5.750
   62   HD11  LEU   7          HD11      LEU   7  25.741  -3.322   7.460
   63   HD12  LEU   7          HD12      LEU   7  25.903  -1.941   6.309
   64   HD13  LEU   7          HD13      LEU   7  27.374  -2.812   6.890
   65   HD21  LEU   7          HD21      LEU   7  24.649  -4.946   4.241
   66   HD22  LEU   7          HD22      LEU   7  24.268  -3.227   4.639
   67   HD23  LEU   7          HD23      LEU   7  24.158  -4.499   5.913
   68    H    LYS   8           HN       LYS   8  29.510  -3.325   3.236
   69    HA   LYS   8           HA       LYS   8  29.723  -2.701   0.365
   70    HB2  LYS   8           HB2      LYS   8  29.756  -0.698   1.782
   71    HB3  LYS   8           HB1      LYS   8  31.019  -1.397   2.836
   72    HG2  LYS   8           HG2      LYS   8  31.587  -1.023  -0.154
   73    HG3  LYS   8           HG1      LYS   8  31.530   0.402   0.938
   74    HD2  LYS   8           HD2      LYS   8  33.258  -0.646   2.430
   75    HD3  LYS   8           HD1      LYS   8  33.396  -2.021   1.287
   76    HE2  LYS   8           HE2      LYS   8  35.236  -0.416   0.899
   77    HE3  LYS   8           HE1      LYS   8  34.132  -0.422  -0.536
   78    HZ1  LYS   8           HZ1      LYS   8  34.774   1.785   0.115
   79    HZ2  LYS   8           HZ2      LYS   8  34.146   1.565   1.678
   80    HZ3  LYS   8           HZ3      LYS   8  33.103   1.571   0.337
   81    H    GLU   9           HN       GLU   9  31.152  -3.986  -0.710
   82    HA   GLU   9           HA       GLU   9  32.871  -5.737   0.860
   83    HB2  GLU   9           HB2      GLU   9  33.052  -7.077  -1.234
   84    HB3  GLU   9           HB1      GLU   9  31.375  -6.968  -0.597
   85    HG2  GLU   9           HG2      GLU   9  30.794  -5.219  -2.265
   86    HG3  GLU   9           HG1      GLU   9  32.476  -5.243  -2.909
   87    H    MET  10           HN       MET  10  35.086  -6.074  -0.056
   88    HA   MET  10           HA       MET  10  36.079  -3.663  -1.443
   89    HB2  MET  10           HB2      MET  10  37.386  -5.148   0.873
   90    HB3  MET  10           HB1      MET  10  38.180  -3.890  -0.146
   91    HG2  MET  10           HG2      MET  10  36.443  -2.240   0.544
   92    HG3  MET  10           HG1      MET  10  35.635  -3.495   1.527
   93    HE1  MET  10           HE1      MET  10  39.322  -2.201   0.835
   94    HE2  MET  10           HE2      MET  10  39.662  -1.302   2.349
   95    HE3  MET  10           HE3      MET  10  38.341  -0.760   1.259
   96    HA   PRO  11           HA       PRO  11  37.556  -7.369  -3.666
   97    HB2  PRO  11           HB2      PRO  11  36.956  -6.571  -6.257
   98    HB3  PRO  11           HB1      PRO  11  35.695  -7.214  -5.138
   99    HG2  PRO  11           HG1      PRO  11  36.361  -4.272  -5.692
  100    HG3  PRO  11           HG2      PRO  11  34.736  -5.080  -5.744
  101    HD2  PRO  11           HD1      PRO  11  35.650  -3.714  -3.502
  102    HD3  PRO  11           HD2      PRO  11  34.648  -5.211  -3.324
  103    H    GLU  12           HN       GLU  12  38.678  -4.316  -2.997
  104    HA   GLU  12           HA       GLU  12  41.186  -4.789  -4.151
  105    HB2  GLU  12           HB2      GLU  12  40.154  -3.706  -6.179
  106    HB3  GLU  12           HB1      GLU  12  39.581  -2.345  -5.159
  107    HG2  GLU  12           HG2      GLU  12  41.969  -1.700  -4.667
  108    HG3  GLU  12           HG1      GLU  12  42.546  -3.125  -5.609
  109    H    MET  13           HN       MET  13  42.378  -4.254  -2.441
  110    HA   MET  13           HA       MET  13  41.430  -2.155  -0.608
  111    HB2  MET  13           HB2      MET  13  43.446  -4.424  -0.168
  112    HB3  MET  13           HB1      MET  13  43.006  -3.150   1.033
  113    HG2  MET  13           HG2      MET  13  40.581  -3.991   0.848
  114    HG3  MET  13           HG1      MET  13  41.191  -5.336  -0.157
  115    HE1  MET  13           HE1      MET  13  42.421  -3.443   3.168
  116    HE2  MET  13           HE2      MET  13  41.804  -4.592   4.399
  117    HE3  MET  13           HE3      MET  13  40.657  -3.762   3.294
  118    H    GLU  14           HN       GLU  14  42.858  -0.416  -0.152
  119    HA   GLU  14           HA       GLU  14  45.381  -0.265  -1.549
  120    HB2  GLU  14           HB2      GLU  14  44.702   1.618  -3.003
  121    HB3  GLU  14           HB1      GLU  14  43.658   0.197  -3.347
  122    HG2  GLU  14           HG2      GLU  14  41.798   1.169  -1.999
  123    HG3  GLU  14           HG1      GLU  14  42.808   2.598  -1.582
  124    H    ASP  15           HN       ASP  15  42.947   0.821   0.651
  125    HA   ASP  15           HA       ASP  15  44.464   3.149   1.440
  126    HB2  ASP  15           HB2      ASP  15  42.788   3.652   3.030
  127    HB3  ASP  15           HB1      ASP  15  42.001   3.287   1.467
  128    H    GLU  16           HN       GLU  16  44.269  -0.217   2.109
  129    HA   GLU  16           HA       GLU  16  45.494  -0.360   4.610
  130    HB2  GLU  16           HB2      GLU  16  44.333  -2.236   3.232
  131    HB3  GLU  16           HB1      GLU  16  45.798  -2.285   2.219
  132    HG2  GLU  16           HG2      GLU  16  45.976  -4.086   3.834
  133    HG3  GLU  16           HG1      GLU  16  47.155  -2.828   4.354
  134    H    PHE  17           HN       PHE  17  46.674  -0.004   1.243
  135    HA   PHE  17           HA       PHE  17  49.418  -0.190   1.794
  136    HB2  PHE  17           HB2      PHE  17  48.529  -0.520  -0.498
  137    HB3  PHE  17           HB1      PHE  17  47.881   1.143  -0.513
  138    HD1  PHE  17           HD1      PHE  17  51.054  -0.831  -0.384
  139    HD2  PHE  17           HD2      PHE  17  49.233   2.976  -1.143
  140    HE1  PHE  17           HE1      PHE  17  53.181  -0.010  -1.346
  141    HE2  PHE  17           HE2      PHE  17  51.383   3.817  -2.044
  142    HZ   PHE  17           HZ       PHE  17  53.379   2.349  -2.063
  143    H    LEU  18           HN       LEU  18  47.074   2.537   1.742
  144    HA   LEU  18           HA       LEU  18  49.020   4.548   1.867
  145    HB2  LEU  18           HB2      LEU  18  46.016   4.372   2.316
  146    HB3  LEU  18           HB1      LEU  18  46.829   5.912   2.641
  147    HG   LEU  18           HG       LEU  18  47.043   4.405  -0.036
  148   HD11  LEU  18          HD11      LEU  18  44.664   5.043   0.436
  149   HD12  LEU  18          HD12      LEU  18  45.360   5.966  -0.939
  150   HD13  LEU  18          HD13      LEU  18  45.172   6.757   0.672
  151   HD21  LEU  18          HD21      LEU  18  48.922   6.002   0.331
  152   HD22  LEU  18          HD22      LEU  18  47.745   7.325   0.674
  153   HD23  LEU  18          HD23      LEU  18  47.822   6.575  -0.964
  154    H    GLU  19           HN       GLU  19  47.722   2.500   4.404
  155    HA   GLU  19           HA       GLU  19  48.432   4.485   6.460
  156    HB2  GLU  19           HB2      GLU  19  47.006   1.800   6.645
  157    HB3  GLU  19           HB1      GLU  19  47.466   2.810   8.061
  158    HG2  GLU  19           HG2      GLU  19  45.540   3.652   5.795
  159    HG3  GLU  19           HG1      GLU  19  45.105   3.153   7.466
  160    H    TYR  20           HN       TYR  20  49.600   1.711   4.762
  161    HA   TYR  20           HA       TYR  20  51.482   0.808   6.755
  162    HB2  TYR  20           HB2      TYR  20  50.835   0.264   3.802
  163    HB3  TYR  20           HB1      TYR  20  52.361  -0.308   4.391
  164    HD1  TYR  20           HD1      TYR  20  49.173  -0.354   6.414
  165    HD2  TYR  20           HD2      TYR  20  52.319  -2.556   4.510
  166    HE1  TYR  20           HE1      TYR  20  48.375  -2.423   7.498
  167    HE2  TYR  20           HE2      TYR  20  51.497  -4.645   5.538
  168    HH   TYR  20           HH       TYR  20  49.976  -5.588   6.907
  169    H    CYS  21           HN       CYS  21  51.201   3.126   4.245
  170    HA   CYS  21           HA       CYS  21  53.892   3.174   3.538
  171    HB2  CYS  21           HB2      CYS  21  51.693   5.269   3.108
  172    HB3  CYS  21           HB1      CYS  21  53.378   5.627   2.632
  173    HG   CYS  21           HG1      CYS  21  51.566   3.084   1.647
  174    H    ALA  22           HN       ALA  22  52.275   4.317   6.306
  175    HA   ALA  22           HA       ALA  22  53.788   6.545   7.067
  176    HB1  ALA  22           HB1      ALA  22  52.766   6.143   9.309
  177    HB2  ALA  22           HB2      ALA  22  52.219   4.510   8.758
  178    HB3  ALA  22           HB3      ALA  22  51.537   5.992   7.998
  179    H    LYS  23           HN       LYS  23  54.550   3.180   6.896
  180    HA   LYS  23           HA       LYS  23  56.886   3.455   8.617
  181    HB2  LYS  23           HB2      LYS  23  55.637   1.278   8.722
  182    HB3  LYS  23           HB1      LYS  23  55.887   1.064   6.962
  183    HG2  LYS  23           HG2      LYS  23  58.408   1.036   7.381
  184    HG3  LYS  23           HG1      LYS  23  58.079   1.254   9.133
  185    HD2  LYS  23           HD2      LYS  23  58.574  -1.072   8.716
  186    HD3  LYS  23           HD1      LYS  23  56.832  -0.935   9.149
  187    HE2  LYS  23           HE2      LYS  23  56.211  -1.167   6.710
  188    HE3  LYS  23           HE1      LYS  23  57.966  -1.240   6.275
  189    HZ1  LYS  23           HZ1      LYS  23  56.515  -3.160   8.019
  190    HZ2  LYS  23           HZ2      LYS  23  58.158  -3.230   7.593
  191    HZ3  LYS  23           HZ3      LYS  23  56.966  -3.402   6.399
  192    H    ASN  24           HN       ASN  24  57.555   5.227   7.328
  193    HA   ASN  24           HA       ASN  24  58.212   4.939   4.640
  194    HB2  ASN  24           HB2      ASN  24  59.327   7.019   6.603
  195    HB3  ASN  24           HB1      ASN  24  59.469   7.077   4.819
  196   HD21  ASN  24          HD21      ASN  24  56.135   8.218   4.245
  197   HD22  ASN  24          HD22      ASN  24  57.574   7.552   3.546
  198    HA   PRO  25           HA       PRO  25  62.726   4.427   6.263
  199    HB2  PRO  25           HB2      PRO  25  61.903   2.335   8.395
  200    HB3  PRO  25           HB1      PRO  25  63.434   3.319   8.387
  201    HG2  PRO  25           HG1      PRO  25  61.308   4.088   9.927
  202    HG3  PRO  25           HG2      PRO  25  62.214   5.328   8.960
  203    HD2  PRO  25           HD1      PRO  25  59.480   4.103   8.323
  204    HD3  PRO  25           HD2      PRO  25  60.157   5.754   7.998
  205    H    SER  26           HN       SER  26  60.337   1.987   5.846
  206    HA   SER  26           HA       SER  26  62.177   0.325   4.323
  207    HB2  SER  26           HB2      SER  26  60.308  -0.460   6.624
  208    HB3  SER  26           HB1      SER  26  60.749  -1.672   5.330
  209    HG   SER  26           HG1      SER  26  62.087  -1.798   7.119
  210    H    TYR  27           HN       TYR  27  61.236   1.726   2.723
  211    HA   TYR  27           HA       TYR  27  58.430   1.599   2.211
  212    HB2  TYR  27           HB2      TYR  27  58.785   3.007   0.402
  213    HB3  TYR  27           HB1      TYR  27  59.965   3.603   1.631
  214    HD1  TYR  27           HD1      TYR  27  62.383   2.029   1.258
  215    HD2  TYR  27           HD2      TYR  27  59.551   3.331  -1.705
  216    HE1  TYR  27           HE1      TYR  27  64.086   1.741  -0.495
  217    HE2  TYR  27           HE2      TYR  27  61.209   2.965  -3.465
  218    HH   TYR  27           HH       TYR  27  63.328   2.330  -3.961
  219    H    GLU  28           HN       GLU  28  61.298  -0.066   1.505
  220    HA   GLU  28           HA       GLU  28  60.903  -1.453  -0.801
  221    HB2  GLU  28           HB2      GLU  28  62.410  -3.222   0.584
  222    HB3  GLU  28           HB1      GLU  28  63.068  -1.661   0.004
  223    HG2  GLU  28           HG2      GLU  28  62.861  -0.579   2.146
  224    HG3  GLU  28           HG1      GLU  28  61.915  -1.928   2.859
  225    H    GLU  29           HN       GLU  29  59.862  -2.279   2.569
  226    HA   GLU  29           HA       GLU  29  58.832  -4.801   1.815
  227    HB2  GLU  29           HB2      GLU  29  58.312  -3.058   4.281
  228    HB3  GLU  29           HB1      GLU  29  57.735  -4.756   4.081
  229    HG2  GLU  29           HG2      GLU  29  60.102  -5.552   3.872
  230    HG3  GLU  29           HG1      GLU  29  60.698  -3.866   4.077
  231    H    ALA  30           HN       ALA  30  57.479  -1.489   1.845
  232    HA   ALA  30           HA       ALA  30  54.773  -2.410   1.719
  233    HB1  ALA  30           HB1      ALA  30  54.211  -0.012   1.287
  234    HB2  ALA  30           HB2      ALA  30  55.967   0.363   1.100
  235    HB3  ALA  30           HB3      ALA  30  55.322  -0.170   2.693
  236    H    TYR  31           HN       TYR  31  57.368  -1.882  -0.628
  237    HA   TYR  31           HA       TYR  31  55.573  -1.737  -2.889
  238    HB2  TYR  31           HB2      TYR  31  57.782  -0.648  -3.126
  239    HB3  TYR  31           HB1      TYR  31  58.584  -2.047  -2.454
  240    HD1  TYR  31           HD1      TYR  31  56.043  -1.868  -5.243
  241    HD2  TYR  31           HD2      TYR  31  60.093  -2.729  -4.129
  242    HE1  TYR  31           HE1      TYR  31  56.409  -2.895  -7.445
  243    HE2  TYR  31           HE2      TYR  31  60.508  -3.675  -6.370
  244    HH   TYR  31           HH       TYR  31  57.889  -3.881  -8.829
  245    H    LEU  32           HN       LEU  32  57.879  -4.099  -1.476
  246    HA   LEU  32           HA       LEU  32  57.377  -6.011  -3.433
  247    HB2  LEU  32           HB2      LEU  32  58.721  -6.150  -0.690
  248    HB3  LEU  32           HB1      LEU  32  58.792  -7.486  -1.882
  249    HG   LEU  32           HG       LEU  32  59.727  -4.606  -2.504
  250   HD11  LEU  32          HD11      LEU  32  62.053  -5.350  -2.042
  251   HD12  LEU  32          HD12      LEU  32  61.459  -6.973  -1.520
  252   HD13  LEU  32          HD13      LEU  32  61.035  -5.505  -0.562
  253   HD21  LEU  32          HD21      LEU  32  60.345  -7.289  -3.903
  254   HD22  LEU  32          HD22      LEU  32  61.041  -5.681  -4.330
  255   HD23  LEU  32          HD23      LEU  32  59.278  -5.976  -4.528
  256    H    LYS  33           HN       LYS  33  55.892  -5.533  -0.260
  257    HA   LYS  33           HA       LYS  33  54.718  -8.094  -0.029
  258    HB2  LYS  33           HB2      LYS  33  54.958  -6.480   1.918
  259    HB3  LYS  33           HB1      LYS  33  53.800  -5.396   1.129
  260    HG2  LYS  33           HG2      LYS  33  52.508  -7.996   1.323
  261    HG3  LYS  33           HG1      LYS  33  53.315  -7.681   2.892
  262    HD2  LYS  33           HD2      LYS  33  52.201  -5.465   3.049
  263    HD3  LYS  33           HD1      LYS  33  51.471  -5.718   1.414
  264    HE2  LYS  33           HE2      LYS  33  50.054  -7.520   2.211
  265    HE3  LYS  33           HE1      LYS  33  50.840  -7.512   3.851
  266    HZ1  LYS  33           HZ1      LYS  33  48.744  -6.360   3.827
  267    HZ2  LYS  33           HZ2      LYS  33  49.284  -5.295   2.620
  268    HZ3  LYS  33           HZ3      LYS  33  50.010  -5.277   4.155
  269    H    PHE  34           HN       PHE  34  53.502  -4.889  -1.163
  270    HA   PHE  34           HA       PHE  34  50.938  -5.907  -1.901
  271    HB2  PHE  34           HB2      PHE  34  52.331  -3.175  -2.270
  272    HB3  PHE  34           HB1      PHE  34  50.696  -3.512  -2.892
  273    HD1  PHE  34           HD1      PHE  34  52.736  -3.487   0.243
  274    HD2  PHE  34           HD2      PHE  34  48.790  -3.407  -1.445
  275    HE1  PHE  34           HE1      PHE  34  51.828  -2.970   2.439
  276    HE2  PHE  34           HE2      PHE  34  47.863  -2.871   0.790
  277    HZ   PHE  34           HZ       PHE  34  49.399  -2.599   2.744
  278    H    GLY  35           HN       GLY  35  53.010  -3.889  -3.995
  279    HA2  GLY  35           HA2      GLY  35  54.234  -5.523  -5.585
  280    HA3  GLY  35           HA1      GLY  35  52.554  -5.575  -6.279
  281    H    ASP  36           HN       ASP  36  52.508  -4.268  -8.007
  282    HA   ASP  36           HA       ASP  36  54.202  -2.037  -8.260
  283    HB2  ASP  36           HB2      ASP  36  51.807  -2.965  -9.933
  284    HB3  ASP  36           HB1      ASP  36  52.932  -1.644 -10.426
  285    H    LYS  37           HN       LYS  37  51.646  -2.262  -6.276
  286    HA   LYS  37           HA       LYS  37  50.050  -0.056  -6.590
  287    HB2  LYS  37           HB2      LYS  37  49.714  -1.971  -4.997
  288    HB3  LYS  37           HB1      LYS  37  51.091  -1.375  -4.051
  289    HG2  LYS  37           HG2      LYS  37  48.993  -0.721  -2.988
  290    HG3  LYS  37           HG1      LYS  37  49.891   0.734  -3.539
  291    HD2  LYS  37           HD2      LYS  37  47.529   1.055  -3.892
  292    HD3  LYS  37           HD1      LYS  37  48.351   0.969  -5.485
  293    HE2  LYS  37           HE2      LYS  37  47.528  -1.411  -5.765
  294    HE3  LYS  37           HE1      LYS  37  46.733  -1.314  -4.139
  295    HZ1  LYS  37           HZ1      LYS  37  45.204  -0.903  -5.930
  296    HZ2  LYS  37           HZ2      LYS  37  46.133   0.402  -6.493
  297    HZ3  LYS  37           HZ3      LYS  37  45.381   0.487  -4.972
  298    H    LEU  38           HN       LEU  38  53.295  -0.418  -5.046
  299    HA   LEU  38           HA       LEU  38  53.341   2.301  -4.130
  300    HB2  LEU  38           HB2      LEU  38  54.645   0.370  -2.962
  301    HB3  LEU  38           HB1      LEU  38  55.643   0.257  -4.366
  302    HG   LEU  38           HG       LEU  38  55.445   3.022  -3.178
  303   HD11  LEU  38          HD11      LEU  38  55.384   1.671  -1.096
  304   HD12  LEU  38          HD12      LEU  38  56.950   2.546  -1.268
  305   HD13  LEU  38          HD13      LEU  38  56.859   0.781  -1.619
  306   HD21  LEU  38          HD21      LEU  38  57.933   2.987  -3.532
  307   HD22  LEU  38          HD22      LEU  38  57.024   2.530  -5.025
  308   HD23  LEU  38          HD23      LEU  38  57.823   1.254  -4.030
  309    H    LEU  39           HN       LEU  39  54.436   0.613  -7.075
  310    HA   LEU  39           HA       LEU  39  56.148   2.641  -7.933
  311    HB2  LEU  39           HB2      LEU  39  54.544   0.648  -9.617
  312    HB3  LEU  39           HB1      LEU  39  55.918   1.642 -10.196
  313    HG   LEU  39           HG       LEU  39  55.996  -0.563  -8.052
  314   HD11  LEU  39          HD11      LEU  39  55.724  -1.369 -10.397
  315   HD12  LEU  39          HD12      LEU  39  57.337  -1.819  -9.723
  316   HD13  LEU  39          HD13      LEU  39  57.194  -0.446 -10.888
  317   HD21  LEU  39          HD21      LEU  39  58.325   1.164  -9.113
  318   HD22  LEU  39          HD22      LEU  39  58.498  -0.321  -8.105
  319   HD23  LEU  39          HD23      LEU  39  57.688   1.130  -7.423
  320    H    GLU  40           HN       GLU  40  52.657   2.049  -8.621
  321    HA   GLU  40           HA       GLU  40  52.463   4.230 -10.417
  322    HB2  GLU  40           HB2      GLU  40  49.988   3.887 -10.213
  323    HB3  GLU  40           HB1      GLU  40  50.893   2.399 -10.681
  324    HG2  GLU  40           HG2      GLU  40  50.733   1.581  -8.313
  325    HG3  GLU  40           HG1      GLU  40  49.878   3.065  -7.842
  326    H    TYR  41           HN       TYR  41  51.888   3.914  -6.878
  327    HA   TYR  41           HA       TYR  41  50.473   6.395  -6.691
  328    HB2  TYR  41           HB2      TYR  41  51.572   4.261  -4.783
  329    HB3  TYR  41           HB1      TYR  41  51.229   5.846  -4.099
  330    HD1  TYR  41           HD1      TYR  41  49.579   5.059  -2.606
  331    HD2  TYR  41           HD2      TYR  41  48.973   4.636  -6.862
  332    HE1  TYR  41           HE1      TYR  41  47.226   4.462  -2.238
  333    HE2  TYR  41           HE2      TYR  41  46.641   4.067  -6.476
  334    HH   TYR  41           HH       TYR  41  45.005   3.748  -4.961
  335    H    GLU  42           HN       GLU  42  53.770   5.404  -6.839
  336    HA   GLU  42           HA       GLU  42  54.934   7.703  -5.580
  337    HB2  GLU  42           HB2      GLU  42  56.005   5.478  -5.673
  338    HB3  GLU  42           HB1      GLU  42  56.170   5.598  -7.454
  339    HG2  GLU  42           HG2      GLU  42  57.457   7.477  -5.363
  340    HG3  GLU  42           HG1      GLU  42  58.262   6.029  -6.057
  341    H    LEU  43           HN       LEU  43  54.346   6.573  -8.918
  342    HA   LEU  43           HA       LEU  43  55.361   8.880 -10.188
  343    HB2  LEU  43           HB2      LEU  43  53.534   6.560 -11.022
  344    HB3  LEU  43           HB1      LEU  43  54.053   7.800 -12.197
  345    HG   LEU  43           HG       LEU  43  55.987   6.035 -10.582
  346   HD11  LEU  43          HD11      LEU  43  54.569   4.635 -12.066
  347   HD12  LEU  43          HD12      LEU  43  56.274   4.690 -12.649
  348   HD13  LEU  43          HD13      LEU  43  55.005   5.667 -13.481
  349   HD21  LEU  43          HD21      LEU  43  56.484   7.842 -13.033
  350   HD22  LEU  43          HD22      LEU  43  57.686   6.730 -12.276
  351   HD23  LEU  43          HD23      LEU  43  57.061   8.137 -11.348
  352    H    LEU  44           HN       LEU  44  52.346   8.149  -8.604
  353    HA   LEU  44           HA       LEU  44  50.725   9.926 -10.117
  354    HB2  LEU  44           HB2      LEU  44  49.778   7.920  -9.197
  355    HB3  LEU  44           HB1      LEU  44  50.312   8.373  -7.553
  356    HG   LEU  44           HG       LEU  44  48.667  10.090  -7.376
  357   HD11  LEU  44          HD11      LEU  44  47.013  10.652  -9.200
  358   HD12  LEU  44          HD12      LEU  44  47.939   9.612 -10.347
  359   HD13  LEU  44          HD13      LEU  44  48.691  11.102  -9.660
  360   HD21  LEU  44          HD21      LEU  44  47.365   7.633  -8.710
  361   HD22  LEU  44          HD22      LEU  44  46.569   8.782  -7.568
  362   HD23  LEU  44          HD23      LEU  44  47.926   7.734  -7.001
  363    H    GLY  45           HN       GLY  45  51.360   9.964  -6.516
  364    HA2  GLY  45           HA2      GLY  45  52.836  11.952  -6.020
  365    HA3  GLY  45           HA1      GLY  45  51.438  12.890  -6.686
  366    H    LYS  46           HN       LYS  46  50.985   9.862  -4.950
  367    HA   LYS  46           HA       LYS  46  49.635  11.272  -2.779
  368    HB2  LYS  46           HB2      LYS  46  49.810   8.302  -3.460
  369    HB3  LYS  46           HB1      LYS  46  48.825   9.015  -2.137
  370    HG2  LYS  46           HG2      LYS  46  47.553  10.355  -3.904
  371    HG3  LYS  46           HG1      LYS  46  48.524   9.523  -5.164
  372    HD2  LYS  46           HD2      LYS  46  46.467   8.410  -5.150
  373    HD3  LYS  46           HD1      LYS  46  47.595   7.298  -4.301
  374    HE2  LYS  46           HE2      LYS  46  46.598   8.010  -2.090
  375    HE3  LYS  46           HE1      LYS  46  45.552   9.211  -2.950
  376    HZ1  LYS  46           HZ1      LYS  46  44.385   7.189  -2.448
  377    HZ2  LYS  46           HZ2      LYS  46  45.500   6.263  -3.333
  378    HZ3  LYS  46           HZ3      LYS  46  44.518   7.398  -4.128
  379    H    ILE  47           HN       ILE  47  52.291   9.128  -3.660
  380    HA   ILE  47           HA       ILE  47  53.782   9.839  -1.245
  381    HB   ILE  47           HB       ILE  47  54.934   7.655  -1.447
  382   HG12  ILE  47          HG12      ILE  47  52.518   6.997  -3.242
  383   HG13  ILE  47          HG11      ILE  47  54.207   7.180  -3.798
  384   HG21  ILE  47          HG21      ILE  47  53.143   8.147   0.292
  385   HG22  ILE  47          HG22      ILE  47  53.296   6.410  -0.172
  386   HG23  ILE  47          HG23      ILE  47  51.925   7.386  -0.818
  387   HD11  ILE  47           HD1      ILE  47  54.922   5.334  -2.453
  388   HD12  ILE  47           HD2      ILE  47  53.647   4.794  -3.599
  389   HD13  ILE  47           HD3      ILE  47  53.257   5.001  -1.846
  390    H    LYS  48           HN       LYS  48  56.218   9.616  -1.902
  391    HA   LYS  48           HA       LYS  48  56.688   9.499  -4.734
  392    HB2  LYS  48           HB2      LYS  48  57.786  11.834  -3.021
  393    HB3  LYS  48           HB1      LYS  48  58.210  11.531  -4.735
  394    HG2  LYS  48           HG2      LYS  48  55.874  12.039  -5.424
  395    HG3  LYS  48           HG1      LYS  48  55.425  12.364  -3.712
  396    HD2  LYS  48           HD2      LYS  48  57.557  13.906  -5.310
  397    HD3  LYS  48           HD1      LYS  48  55.857  14.438  -5.031
  398    HE2  LYS  48           HE2      LYS  48  56.292  14.468  -2.535
  399    HE3  LYS  48           HE1      LYS  48  58.018  14.014  -2.852
  400    HZ1  LYS  48           HZ1      LYS  48  58.251  16.025  -4.143
  401    HZ2  LYS  48           HZ2      LYS  48  57.750  16.362  -2.556
  402    HZ3  LYS  48           HZ3      LYS  48  56.637  16.455  -3.835
  403    H    ARG  49           HN       ARG  49  59.167   9.307  -5.041
  404    HA   ARG  49           HA       ARG  49  60.617   8.708  -2.601
  405    HB2  ARG  49           HB2      ARG  49  59.626   6.505  -3.189
  406    HB3  ARG  49           HB1      ARG  49  60.373   6.586  -4.815
  407    HG2  ARG  49           HG2      ARG  49  62.147   6.941  -2.349
  408    HG3  ARG  49           HG1      ARG  49  61.469   5.320  -2.675
  409    HD2  ARG  49           HD2      ARG  49  62.552   5.253  -4.922
  410    HD3  ARG  49           HD1      ARG  49  63.200   6.929  -4.670
  411    HE   ARG  49           HE       ARG  49  63.882   4.938  -2.561
  412   HH11  ARG  49          HH11      ARG  49  66.117   4.322  -2.377
  413   HH12  ARG  49          HH12      ARG  49  67.259   4.799  -3.588
  414   HH21  ARG  49          HH21      ARG  49  64.903   6.541  -5.598
  415   HH22  ARG  49          HH22      ARG  49  66.562   6.074  -5.437
  416    H    ILE  50           HN       ILE  50  62.780   9.362  -2.923
  417    HA   ILE  50           HA       ILE  50  63.779   9.576  -5.584
  418    HB   ILE  50           HB       ILE  50  62.509  11.678  -5.475
  419   HG12  ILE  50          HG12      ILE  50  64.314  13.318  -5.912
  420   HG13  ILE  50          HG11      ILE  50  65.544  12.178  -5.285
  421   HG21  ILE  50          HG21      ILE  50  62.465  11.923  -2.972
  422   HG22  ILE  50          HG22      ILE  50  62.984  13.425  -3.816
  423   HG23  ILE  50          HG23      ILE  50  64.207  12.391  -3.001
  424   HD11  ILE  50           HD1      ILE  50  65.413  12.200  -7.803
  425   HD12  ILE  50           HD2      ILE  50  63.696  11.658  -7.717
  426   HD13  ILE  50           HD3      ILE  50  65.020  10.573  -7.145
  427    H    ASN  51           HN       ASN  51  64.032   9.968  -2.066
  428    HA   ASN  51           HA       ASN  51  66.850  10.432  -2.168
  429    HB2  ASN  51           HB2      ASN  51  64.948   9.996   0.225
  430    HB3  ASN  51           HB1      ASN  51  66.671  10.534   0.326
  431   HD21  ASN  51          HD21      ASN  51  63.775  13.293  -0.167
  432   HD22  ASN  51          HD22      ASN  51  63.511  11.665   0.363
  433    H    HIS  52           HN       HIS  52  65.674   8.327   0.364
  434    HA   HIS  52           HA       HIS  52  67.135   6.044  -0.789
  435    HB2  HIS  52           HB2      HIS  52  68.291   7.014   1.226
  436    HB3  HIS  52           HB1      HIS  52  66.762   6.887   2.155
  437    HD1  HIS  52           HD1      HIS  52  68.933   4.452   0.103
  438    HD2  HIS  52           HD2      HIS  52  66.741   4.587   3.681
  439    HE1  HIS  52           HE1      HIS  52  69.184   2.195   1.228
  440    HE2  HIS  52           HE2      HIS  52  67.841   2.316   3.374
  441    H    ILE  53           HN       ILE  53  64.323   7.416   0.891
  442    HA   ILE  53           HA       ILE  53  62.899   4.857   0.734
  443    HB   ILE  53           HB       ILE  53  61.807   5.486   2.884
  444   HG12  ILE  53          HG12      ILE  53  64.254   7.331   3.265
  445   HG13  ILE  53          HG11      ILE  53  62.599   7.908   2.853
  446   HG21  ILE  53          HG21      ILE  53  63.595   4.431   4.236
  447   HG22  ILE  53          HG22      ILE  53  64.798   4.758   2.938
  448   HG23  ILE  53          HG23      ILE  53  63.419   3.628   2.647
  449   HD11  ILE  53           HD1      ILE  53  61.730   6.652   4.878
  450   HD12  ILE  53           HD2      ILE  53  62.777   8.085   5.253
  451   HD13  ILE  53           HD3      ILE  53  63.439   6.413   5.407
  452    H    VAL  54           HN       VAL  54  60.506   5.355   1.219
  453    HA   VAL  54           HA       VAL  54  59.647   7.282  -0.672
  454    HB   VAL  54           HB       VAL  54  58.668   4.981  -0.256
  455   HG11  VAL  54          HG11      VAL  54  57.193   6.353   2.088
  456   HG12  VAL  54          HG12      VAL  54  58.569   5.206   2.305
  457   HG13  VAL  54          HG13      VAL  54  57.037   4.653   1.535
  458   HG21  VAL  54          HG21      VAL  54  57.535   6.560  -1.714
  459   HG22  VAL  54          HG22      VAL  54  56.740   7.361  -0.299
  460   HG23  VAL  54          HG23      VAL  54  56.336   5.660  -0.721
  461    H    VAL  55           HN       VAL  55  58.312   9.136  -0.183
  462    HA   VAL  55           HA       VAL  55  58.225   9.972   2.628
  463    HB   VAL  55           HB       VAL  55  58.171  12.326   1.834
  464   HG11  VAL  55          HG11      VAL  55  60.732  10.755   1.091
  465   HG12  VAL  55          HG12      VAL  55  60.245  11.263   2.753
  466   HG13  VAL  55          HG13      VAL  55  60.629  12.506   1.504
  467   HG21  VAL  55          HG21      VAL  55  59.053  11.144  -0.896
  468   HG22  VAL  55          HG22      VAL  55  58.990  12.884  -0.459
  469   HG23  VAL  55          HG23      VAL  55  57.469  11.940  -0.561
  470    H    LEU  56           HN       LEU  56  56.166  10.836   3.229
  471    HA   LEU  56           HA       LEU  56  53.991  10.058   1.459
  472    HB2  LEU  56           HB2      LEU  56  54.010  11.400   4.213
  473    HB3  LEU  56           HB1      LEU  56  52.530  10.886   3.349
  474    HG   LEU  56           HG       LEU  56  54.602   8.736   3.800
  475   HD11  LEU  56          HD11      LEU  56  54.015   8.380   6.159
  476   HD12  LEU  56          HD12      LEU  56  52.967   9.845   6.165
  477   HD13  LEU  56          HD13      LEU  56  54.751  10.006   5.943
  478   HD21  LEU  56          HD21      LEU  56  52.458   8.187   2.725
  479   HD22  LEU  56          HD22      LEU  56  51.544   8.840   4.140
  480   HD23  LEU  56          HD23      LEU  56  52.578   7.380   4.339
  481    H    ALA  57           HN       ALA  57  52.665  11.577   0.467
  482    HA   ALA  57           HA       ALA  57  53.432  14.419   0.727
  483    HB1  ALA  57           HB1      ALA  57  53.606  13.657  -1.648
  484    HB2  ALA  57           HB2      ALA  57  52.232  14.799  -1.427
  485    HB3  ALA  57           HB3      ALA  57  51.924  13.029  -1.575
  486    H    HIS  58           HN       HIS  58  52.250  14.911   2.543
  487    HA   HIS  58           HA       HIS  58  49.477  14.030   2.723
  488    HB2  HIS  58           HB2      HIS  58  51.324  15.575   4.627
  489    HB3  HIS  58           HB1      HIS  58  49.569  15.314   4.941
  490    HD1  HIS  58           HD1      HIS  58  51.580  14.158   6.901
  491    HD2  HIS  58           HD2      HIS  58  49.963  11.995   3.687
  492    HE1  HIS  58           HE1      HIS  58  51.667  11.703   7.523
  493    HE2  HIS  58           HE2      HIS  58  50.663  10.439   5.571
  494    H    HIS  59           HN       HIS  59  47.813  15.330   2.187
  495    HA   HIS  59           HA       HIS  59  48.473  18.035   1.239
  496    HB2  HIS  59           HB2      HIS  59  46.192  16.164   0.374
  497    HB3  HIS  59           HB1      HIS  59  46.515  17.821  -0.248
  498    HD1  HIS  59           HD1      HIS  59  47.937  14.301  -0.340
  499    HD2  HIS  59           HD2      HIS  59  48.554  18.013  -2.198
  500    HE1  HIS  59           HE1      HIS  59  49.530  13.919  -2.274
  501    HE2  HIS  59           HE2      HIS  59  49.879  16.180  -3.362
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  32.745 -22.559 -10.924
    2    H2   MET   1           HT2      MET   1  34.338 -22.237 -11.416
    3    H3   MET   1           HT3      MET   1  33.067 -21.240 -11.946
    4    HA   MET   1           HA       MET   1  34.340 -20.188 -10.247
    5    HB2  MET   1           HB2      MET   1  31.778 -19.893 -10.496
    6    HB3  MET   1           HB1      MET   1  31.595 -21.030  -9.123
    7    HG2  MET   1           HG2      MET   1  32.961 -19.371  -7.711
    8    HG3  MET   1           HG1      MET   1  33.042 -18.304  -9.140
    9    HE1  MET   1           HE1      MET   1  29.360 -19.295  -6.455
   10    HE2  MET   1           HE2      MET   1  31.081 -19.699  -6.141
   11    HE3  MET   1           HE3      MET   1  30.176 -20.556  -7.437
   12    H    LEU   2           HN       LEU   2  35.198 -20.154  -8.061
   13    HA   LEU   2           HA       LEU   2  35.752 -22.784  -6.999
   14    HB2  LEU   2           HB2      LEU   2  36.698 -19.957  -6.295
   15    HB3  LEU   2           HB1      LEU   2  36.979 -21.335  -5.183
   16    HG   LEU   2           HG       LEU   2  38.168 -22.585  -6.952
   17   HD11  LEU   2          HD11      LEU   2  39.141 -21.341  -8.922
   18   HD12  LEU   2          HD12      LEU   2  38.042 -19.955  -8.571
   19   HD13  LEU   2          HD13      LEU   2  37.363 -21.557  -9.054
   20   HD21  LEU   2          HD21      LEU   2  39.358 -21.298  -5.192
   21   HD22  LEU   2          HD22      LEU   2  39.360 -19.829  -6.239
   22   HD23  LEU   2          HD23      LEU   2  40.289 -21.294  -6.736
   23    H    LYS   3           HN       LYS   3  35.431 -23.216  -4.671
   24    HA   LYS   3           HA       LYS   3  32.747 -22.457  -3.923
   25    HB2  LYS   3           HB2      LYS   3  33.542 -24.819  -3.792
   26    HB3  LYS   3           HB1      LYS   3  34.713 -24.364  -2.517
   27    HG2  LYS   3           HG2      LYS   3  31.728 -23.731  -2.178
   28    HG3  LYS   3           HG1      LYS   3  32.296 -25.427  -2.011
   29    HD2  LYS   3           HD2      LYS   3  33.823 -24.841  -0.197
   30    HD3  LYS   3           HD1      LYS   3  33.448 -23.097  -0.367
   31    HE2  LYS   3           HE2      LYS   3  32.223 -24.009   1.565
   32    HE3  LYS   3           HE1      LYS   3  31.046 -23.548   0.268
   33    HZ1  LYS   3           HZ1      LYS   3  30.956 -25.859  -0.386
   34    HZ2  LYS   3           HZ2      LYS   3  30.531 -25.665   1.247
   35    HZ3  LYS   3           HZ3      LYS   3  32.057 -26.288   0.834
   36    H    ASP   4           HN       ASP   4  32.292 -20.827  -2.529
   37    HA   ASP   4           HA       ASP   4  34.520 -19.405  -1.316
   38    HB2  ASP   4           HB2      ASP   4  31.514 -18.751  -1.513
   39    HB3  ASP   4           HB1      ASP   4  32.740 -17.694  -0.718
   40    H    TYR   5           HN       TYR   5  35.016 -19.621   0.805
   41    HA   TYR   5           HA       TYR   5  33.401 -21.468   2.381
   42    HB2  TYR   5           HB2      TYR   5  36.224 -20.411   2.823
   43    HB3  TYR   5           HB1      TYR   5  35.409 -21.675   3.823
   44    HD1  TYR   5           HD1      TYR   5  37.120 -20.953   0.636
   45    HD2  TYR   5           HD2      TYR   5  34.981 -23.903   2.916
   46    HE1  TYR   5           HE1      TYR   5  37.968 -22.720  -0.862
   47    HE2  TYR   5           HE2      TYR   5  35.840 -25.677   1.432
   48    HH   TYR   5           HH       TYR   5  37.094 -26.173  -0.371
   49    H    HIS   6           HN       HIS   6  35.006 -20.144   4.695
   50    HA   HIS   6           HA       HIS   6  33.075 -18.113   5.425
   51    HB2  HIS   6           HB2      HIS   6  35.425 -19.426   6.846
   52    HB3  HIS   6           HB1      HIS   6  34.422 -18.137   7.587
   53    HD1  HIS   6           HD1      HIS   6  34.332 -20.539   9.187
   54    HD2  HIS   6           HD2      HIS   6  31.835 -20.225   5.827
   55    HE1  HIS   6           HE1      HIS   6  32.419 -22.168   9.514
   56    HE2  HIS   6           HE2      HIS   6  30.937 -21.945   7.471
   57    H    LEU   7           HN       LEU   7  35.709 -18.132   3.434
   58    HA   LEU   7           HA       LEU   7  37.311 -16.135   4.624
   59    HB2  LEU   7           HB2      LEU   7  37.149 -17.037   1.678
   60    HB3  LEU   7           HB1      LEU   7  38.484 -16.070   2.393
   61    HG   LEU   7           HG       LEU   7  37.734 -18.951   3.177
   62   HD11  LEU   7          HD11      LEU   7  38.601 -18.823   0.854
   63   HD12  LEU   7          HD12      LEU   7  39.776 -19.641   1.950
   64   HD13  LEU   7          HD13      LEU   7  40.062 -17.936   1.432
   65   HD21  LEU   7          HD21      LEU   7  38.810 -17.781   5.079
   66   HD22  LEU   7          HD22      LEU   7  40.162 -17.241   4.010
   67   HD23  LEU   7          HD23      LEU   7  39.930 -18.995   4.366
   68    H    LYS   8           HN       LYS   8  37.737 -13.986   3.573
   69    HA   LYS   8           HA       LYS   8  35.221 -12.678   3.094
   70    HB2  LYS   8           HB2      LYS   8  36.492 -10.582   3.218
   71    HB3  LYS   8           HB1      LYS   8  36.874 -11.638   4.611
   72    HG2  LYS   8           HG2      LYS   8  39.018 -12.335   3.530
   73    HG3  LYS   8           HG1      LYS   8  38.628 -11.326   2.096
   74    HD2  LYS   8           HD2      LYS   8  38.551  -9.284   3.616
   75    HD3  LYS   8           HD1      LYS   8  39.091 -10.334   4.971
   76    HE2  LYS   8           HE2      LYS   8  41.036  -9.124   4.051
   77    HE3  LYS   8           HE1      LYS   8  41.208 -10.881   3.649
   78    HZ1  LYS   8           HZ1      LYS   8  41.727  -9.467   1.794
   79    HZ2  LYS   8           HZ2      LYS   8  40.188  -8.748   1.841
   80    HZ3  LYS   8           HZ3      LYS   8  40.345 -10.394   1.455
   81    H    GLU   9           HN       GLU   9  35.467 -10.771   1.305
   82    HA   GLU   9           HA       GLU   9  36.121 -12.105  -1.192
   83    HB2  GLU   9           HB2      GLU   9  35.084 -10.084  -2.253
   84    HB3  GLU   9           HB1      GLU   9  33.955 -11.044  -1.243
   85    HG2  GLU   9           HG2      GLU   9  34.118  -9.446   0.621
   86    HG3  GLU   9           HG1      GLU   9  35.367  -8.481  -0.246
   87    H    MET  10           HN       MET  10  37.631 -11.110  -2.668
   88    HA   MET  10           HA       MET  10  39.411  -9.111  -1.439
   89    HB2  MET  10           HB2      MET  10  40.073 -11.444  -3.308
   90    HB3  MET  10           HB1      MET  10  41.170 -10.058  -2.998
   91    HG2  MET  10           HG2      MET  10  41.966 -11.742  -1.591
   92    HG3  MET  10           HG1      MET  10  41.116 -10.545  -0.566
   93    HE1  MET  10           HE1      MET  10  39.461 -13.521  -2.764
   94    HE2  MET  10           HE2      MET  10  39.584 -14.862  -1.580
   95    HE3  MET  10           HE3      MET  10  41.078 -14.100  -2.226
   96    HA   PRO  11           HA       PRO  11  37.679  -7.390  -5.319
   97    HB2  PRO  11           HB2      PRO  11  37.010  -4.866  -4.416
   98    HB3  PRO  11           HB1      PRO  11  35.966  -6.313  -4.176
   99    HG2  PRO  11           HG1      PRO  11  37.894  -5.071  -2.156
  100    HG3  PRO  11           HG2      PRO  11  36.184  -5.615  -1.902
  101    HD2  PRO  11           HD1      PRO  11  38.407  -7.202  -1.272
  102    HD3  PRO  11           HD2      PRO  11  36.840  -7.910  -1.837
  103    H    GLU  12           HN       GLU  12  39.077  -4.577  -3.549
  104    HA   GLU  12           HA       GLU  12  41.644  -4.882  -4.803
  105    HB2  GLU  12           HB2      GLU  12  39.783  -2.483  -5.399
  106    HB3  GLU  12           HB1      GLU  12  41.564  -2.491  -5.674
  107    HG2  GLU  12           HG2      GLU  12  41.290  -4.362  -7.340
  108    HG3  GLU  12           HG1      GLU  12  39.504  -4.308  -7.087
  109    H    MET  13           HN       MET  13  42.701  -4.786  -2.871
  110    HA   MET  13           HA       MET  13  41.846  -2.847  -0.857
  111    HB2  MET  13           HB2      MET  13  43.792  -5.154  -0.803
  112    HB3  MET  13           HB1      MET  13  43.679  -3.916   0.511
  113    HG2  MET  13           HG2      MET  13  41.371  -5.722  -0.451
  114    HG3  MET  13           HG1      MET  13  42.416  -5.973   0.974
  115    HE1  MET  13           HE1      MET  13  38.534  -3.707   0.767
  116    HE2  MET  13           HE2      MET  13  39.046  -5.331   0.193
  117    HE3  MET  13           HE3      MET  13  39.587  -3.857  -0.680
  118    H    GLU  14           HN       GLU  14  43.166  -1.069  -0.316
  119    HA   GLU  14           HA       GLU  14  45.667  -0.623  -1.637
  120    HB2  GLU  14           HB2      GLU  14  44.912   1.191  -3.123
  121    HB3  GLU  14           HB1      GLU  14  44.033  -0.315  -3.536
  122    HG2  GLU  14           HG2      GLU  14  42.001   0.467  -2.319
  123    HG3  GLU  14           HG1      GLU  14  42.839   1.983  -1.836
  124    H    ASP  15           HN       ASP  15  43.002   0.196   0.396
  125    HA   ASP  15           HA       ASP  15  44.053   2.726   1.235
  126    HB2  ASP  15           HB2      ASP  15  42.227   2.839   2.797
  127    HB3  ASP  15           HB1      ASP  15  41.613   2.371   1.186
  128    H    GLU  16           HN       GLU  16  44.279  -0.644   2.104
  129    HA   GLU  16           HA       GLU  16  45.500  -0.523   4.593
  130    HB2  GLU  16           HB2      GLU  16  44.644  -2.614   3.482
  131    HB3  GLU  16           HB1      GLU  16  45.935  -2.471   2.245
  132    HG2  GLU  16           HG2      GLU  16  47.672  -2.720   4.115
  133    HG3  GLU  16           HG1      GLU  16  46.321  -2.971   5.279
  134    H    PHE  17           HN       PHE  17  46.788  -0.340   1.215
  135    HA   PHE  17           HA       PHE  17  49.474  -0.137   1.878
  136    HB2  PHE  17           HB2      PHE  17  48.685  -0.628  -0.446
  137    HB3  PHE  17           HB1      PHE  17  47.995   1.020  -0.564
  138    HD1  PHE  17           HD1      PHE  17  51.183  -0.915  -0.358
  139    HD2  PHE  17           HD2      PHE  17  49.376   2.919  -0.963
  140    HE1  PHE  17           HE1      PHE  17  53.340  -0.038  -1.210
  141    HE2  PHE  17           HE2      PHE  17  51.541   3.811  -1.761
  142    HZ   PHE  17           HZ       PHE  17  53.543   2.357  -1.809
  143    H    LEU  18           HN       LEU  18  46.903   2.376   1.567
  144    HA   LEU  18           HA       LEU  18  48.603   4.551   1.642
  145    HB2  LEU  18           HB2      LEU  18  45.723   4.024   1.657
  146    HB3  LEU  18           HB1      LEU  18  46.054   5.380   2.753
  147    HG   LEU  18           HG       LEU  18  46.905   5.165  -0.189
  148   HD11  LEU  18          HD11      LEU  18  44.716   6.886   1.131
  149   HD12  LEU  18          HD12      LEU  18  44.456   5.433   0.092
  150   HD13  LEU  18          HD13      LEU  18  45.191   6.923  -0.609
  151   HD21  LEU  18          HD21      LEU  18  47.279   7.522   1.761
  152   HD22  LEU  18          HD22      LEU  18  47.503   7.604  -0.027
  153   HD23  LEU  18          HD23      LEU  18  48.575   6.555   0.952
  154    H    GLU  19           HN       GLU  19  47.453   2.543   4.324
  155    HA   GLU  19           HA       GLU  19  48.047   4.692   6.254
  156    HB2  GLU  19           HB2      GLU  19  46.779   1.944   6.630
  157    HB3  GLU  19           HB1      GLU  19  47.103   3.129   7.944
  158    HG2  GLU  19           HG2      GLU  19  45.204   3.541   5.541
  159    HG3  GLU  19           HG1      GLU  19  44.758   3.240   7.257
  160    H    TYR  20           HN       TYR  20  49.411   1.946   4.721
  161    HA   TYR  20           HA       TYR  20  51.283   1.232   6.808
  162    HB2  TYR  20           HB2      TYR  20  50.772   0.497   3.862
  163    HB3  TYR  20           HB1      TYR  20  52.247  -0.030   4.621
  164    HD1  TYR  20           HD1      TYR  20  49.012   0.001   6.559
  165    HD2  TYR  20           HD2      TYR  20  52.033  -2.300   4.568
  166    HE1  TYR  20           HE1      TYR  20  48.066  -2.058   7.521
  167    HE2  TYR  20           HE2      TYR  20  51.077  -4.378   5.498
  168    HH   TYR  20           HH       TYR  20  48.183  -4.307   7.630
  169    H    CYS  21           HN       CYS  21  50.884   3.448   4.260
  170    HA   CYS  21           HA       CYS  21  53.508   3.641   3.401
  171    HB2  CYS  21           HB2      CYS  21  51.401   5.910   3.399
  172    HB3  CYS  21           HB1      CYS  21  52.989   6.037   2.592
  173    HG   CYS  21           HG1      CYS  21  51.208   5.744   0.822
  174    H    ALA  22           HN       ALA  22  51.862   4.835   6.197
  175    HA   ALA  22           HA       ALA  22  53.373   7.026   6.982
  176    HB1  ALA  22           HB1      ALA  22  52.249   6.656   9.188
  177    HB2  ALA  22           HB2      ALA  22  51.765   4.996   8.657
  178    HB3  ALA  22           HB3      ALA  22  51.075   6.434   7.834
  179    H    LYS  23           HN       LYS  23  54.091   3.630   6.984
  180    HA   LYS  23           HA       LYS  23  56.388   3.946   8.746
  181    HB2  LYS  23           HB2      LYS  23  55.054   1.785   8.876
  182    HB3  LYS  23           HB1      LYS  23  55.424   1.500   7.153
  183    HG2  LYS  23           HG2      LYS  23  57.964   1.671   7.893
  184    HG3  LYS  23           HG1      LYS  23  57.332   1.580   9.568
  185    HD2  LYS  23           HD2      LYS  23  58.006  -0.632   8.931
  186    HD3  LYS  23           HD1      LYS  23  56.206  -0.634   8.921
  187    HE2  LYS  23           HE2      LYS  23  56.243  -0.412   6.391
  188    HE3  LYS  23           HE1      LYS  23  58.052  -0.369   6.434
  189    HZ1  LYS  23           HZ1      LYS  23  57.194  -2.534   5.904
  190    HZ2  LYS  23           HZ2      LYS  23  56.331  -2.608   7.365
  191    HZ3  LYS  23           HZ3      LYS  23  58.029  -2.569   7.380
  192    H    ASN  24           HN       ASN  24  57.163   5.613   7.402
  193    HA   ASN  24           HA       ASN  24  57.807   5.299   4.717
  194    HB2  ASN  24           HB2      ASN  24  59.041   7.239   6.751
  195    HB3  ASN  24           HB1      ASN  24  59.284   7.300   4.974
  196   HD21  ASN  24          HD21      ASN  24  55.870   8.846   6.662
  197   HD22  ASN  24          HD22      ASN  24  57.159   8.179   7.608
  198    HA   PRO  25           HA       PRO  25  62.235   4.019   6.034
  199    HB2  PRO  25           HB2      PRO  25  62.296   2.469   8.470
  200    HB3  PRO  25           HB1      PRO  25  62.906   4.170   8.275
  201    HG2  PRO  25           HG1      PRO  25  60.171   3.223   9.266
  202    HG3  PRO  25           HG2      PRO  25  61.220   4.539   9.945
  203    HD2  PRO  25           HD1      PRO  25  59.109   5.168   8.340
  204    HD3  PRO  25           HD2      PRO  25  60.699   6.001   8.050
  205    H    SER  26           HN       SER  26  62.948   2.046   5.169
  206    HA   SER  26           HA       SER  26  62.800   0.131   4.216
  207    HB2  SER  26           HB2      SER  26  61.178  -0.609   6.701
  208    HB3  SER  26           HB1      SER  26  61.632  -1.819   5.420
  209    HG   SER  26           HG1      SER  26  63.092  -1.745   7.122
  210    H    TYR  27           HN       TYR  27  61.687   1.630   2.727
  211    HA   TYR  27           HA       TYR  27  58.891   1.521   2.433
  212    HB2  TYR  27           HB2      TYR  27  59.136   2.932   0.601
  213    HB3  TYR  27           HB1      TYR  27  60.449   3.461   1.709
  214    HD1  TYR  27           HD1      TYR  27  62.655   1.459   0.984
  215    HD2  TYR  27           HD2      TYR  27  59.825   3.543  -1.499
  216    HE1  TYR  27           HE1      TYR  27  64.067   1.050  -0.980
  217    HE2  TYR  27           HE2      TYR  27  61.255   3.224  -3.426
  218    HH   TYR  27           HH       TYR  27  64.331   1.336  -3.202
  219    H    GLU  28           HN       GLU  28  61.534  -0.332   1.482
  220    HA   GLU  28           HA       GLU  28  60.705  -1.653  -0.819
  221    HB2  GLU  28           HB2      GLU  28  62.495  -3.381   0.115
  222    HB3  GLU  28           HB1      GLU  28  63.014  -1.754  -0.422
  223    HG2  GLU  28           HG2      GLU  28  63.176  -0.884   1.828
  224    HG3  GLU  28           HG1      GLU  28  62.427  -2.340   2.560
  225    H    GLU  29           HN       GLU  29  60.036  -2.161   2.655
  226    HA   GLU  29           HA       GLU  29  58.942  -4.785   2.217
  227    HB2  GLU  29           HB2      GLU  29  58.910  -2.889   4.617
  228    HB3  GLU  29           HB1      GLU  29  58.282  -4.580   4.643
  229    HG2  GLU  29           HG2      GLU  29  60.523  -5.484   4.110
  230    HG3  GLU  29           HG1      GLU  29  61.208  -3.825   3.993
  231    H    ALA  30           HN       ALA  30  57.829  -1.740   1.372
  232    HA   ALA  30           HA       ALA  30  55.010  -2.461   1.816
  233    HB1  ALA  30           HB1      ALA  30  54.497  -0.055   1.465
  234    HB2  ALA  30           HB2      ALA  30  56.253   0.297   1.243
  235    HB3  ALA  30           HB3      ALA  30  55.643  -0.263   2.838
  236    H    TYR  31           HN       TYR  31  57.625  -1.914  -0.510
  237    HA   TYR  31           HA       TYR  31  55.812  -1.679  -2.760
  238    HB2  TYR  31           HB2      TYR  31  57.985  -0.505  -2.960
  239    HB3  TYR  31           HB1      TYR  31  58.833  -1.907  -2.357
  240    HD1  TYR  31           HD1      TYR  31  60.368  -2.406  -4.086
  241    HD2  TYR  31           HD2      TYR  31  56.260  -1.730  -5.106
  242    HE1  TYR  31           HE1      TYR  31  60.800  -3.233  -6.371
  243    HE2  TYR  31           HE2      TYR  31  56.642  -2.653  -7.350
  244    HH   TYR  31           HH       TYR  31  58.156  -3.493  -8.798
  245    H    LEU  32           HN       LEU  32  58.223  -4.021  -1.489
  246    HA   LEU  32           HA       LEU  32  57.693  -5.905  -3.482
  247    HB2  LEU  32           HB2      LEU  32  59.124  -6.126  -0.782
  248    HB3  LEU  32           HB1      LEU  32  59.204  -7.370  -2.061
  249    HG   LEU  32           HG       LEU  32  60.059  -4.421  -2.476
  250   HD11  LEU  32          HD11      LEU  32  62.410  -5.152  -2.151
  251   HD12  LEU  32          HD12      LEU  32  61.865  -6.828  -1.758
  252   HD13  LEU  32          HD13      LEU  32  61.443  -5.460  -0.661
  253   HD21  LEU  32          HD21      LEU  32  59.574  -5.620  -4.601
  254   HD22  LEU  32          HD22      LEU  32  60.683  -6.960  -4.124
  255   HD23  LEU  32          HD23      LEU  32  61.336  -5.307  -4.428
  256    H    LYS  33           HN       LYS  33  56.343  -5.433  -0.276
  257    HA   LYS  33           HA       LYS  33  55.204  -7.993   0.058
  258    HB2  LYS  33           HB2      LYS  33  55.417  -6.287   1.960
  259    HB3  LYS  33           HB1      LYS  33  54.202  -5.295   1.150
  260    HG2  LYS  33           HG2      LYS  33  53.116  -7.997   1.469
  261    HG3  LYS  33           HG1      LYS  33  53.938  -7.538   2.996
  262    HD2  LYS  33           HD2      LYS  33  52.665  -5.356   2.994
  263    HD3  LYS  33           HD1      LYS  33  51.853  -5.868   1.470
  264    HE2  LYS  33           HE2      LYS  33  50.400  -6.174   3.431
  265    HE3  LYS  33           HE1      LYS  33  50.770  -7.793   2.697
  266    HZ1  LYS  33           HZ1      LYS  33  50.905  -7.825   5.085
  267    HZ2  LYS  33           HZ2      LYS  33  52.066  -6.584   5.090
  268    HZ3  LYS  33           HZ3      LYS  33  52.440  -8.095   4.409
  269    H    PHE  34           HN       PHE  34  53.869  -4.845  -1.111
  270    HA   PHE  34           HA       PHE  34  51.337  -5.971  -1.824
  271    HB2  PHE  34           HB2      PHE  34  52.601  -3.179  -2.187
  272    HB3  PHE  34           HB1      PHE  34  50.983  -3.596  -2.804
  273    HD1  PHE  34           HD1      PHE  34  53.014  -3.523   0.344
  274    HD2  PHE  34           HD2      PHE  34  49.081  -3.495  -1.380
  275    HE1  PHE  34           HE1      PHE  34  52.096  -2.935   2.513
  276    HE2  PHE  34           HE2      PHE  34  48.132  -2.927   0.837
  277    HZ   PHE  34           HZ       PHE  34  49.646  -2.592   2.790
  278    H    GLY  35           HN       GLY  35  53.291  -3.848  -3.919
  279    HA2  GLY  35           HA2      GLY  35  54.572  -5.427  -5.533
  280    HA3  GLY  35           HA1      GLY  35  52.893  -5.520  -6.220
  281    H    ASP  36           HN       ASP  36  52.783  -4.194  -7.925
  282    HA   ASP  36           HA       ASP  36  54.417  -1.934  -8.209
  283    HB2  ASP  36           HB2      ASP  36  51.928  -2.730  -9.814
  284    HB3  ASP  36           HB1      ASP  36  53.207  -1.571 -10.342
  285    H    LYS  37           HN       LYS  37  51.904  -2.221  -6.157
  286    HA   LYS  37           HA       LYS  37  50.254  -0.056  -6.457
  287    HB2  LYS  37           HB2      LYS  37  49.958  -2.022  -4.911
  288    HB3  LYS  37           HB1      LYS  37  51.278  -1.388  -3.914
  289    HG2  LYS  37           HG2      LYS  37  49.099  -0.840  -2.925
  290    HG3  LYS  37           HG1      LYS  37  49.975   0.656  -3.397
  291    HD2  LYS  37           HD2      LYS  37  47.608   0.885  -3.852
  292    HD3  LYS  37           HD1      LYS  37  48.530   0.919  -5.393
  293    HE2  LYS  37           HE2      LYS  37  47.845  -1.482  -5.836
  294    HE3  LYS  37           HE1      LYS  37  46.927  -1.491  -4.272
  295    HZ1  LYS  37           HZ1      LYS  37  46.437   0.306  -6.591
  296    HZ2  LYS  37           HZ2      LYS  37  45.571   0.297  -5.130
  297    HZ3  LYS  37           HZ3      LYS  37  45.522  -1.055  -6.155
  298    H    LEU  38           HN       LEU  38  53.502  -0.350  -4.928
  299    HA   LEU  38           HA       LEU  38  53.458   2.334  -3.912
  300    HB2  LEU  38           HB2      LEU  38  54.809   0.398  -2.817
  301    HB3  LEU  38           HB1      LEU  38  55.813   0.362  -4.216
  302    HG   LEU  38           HG       LEU  38  55.546   3.069  -2.907
  303   HD11  LEU  38          HD11      LEU  38  55.530   1.617  -0.896
  304   HD12  LEU  38          HD12      LEU  38  57.086   2.515  -1.031
  305   HD13  LEU  38          HD13      LEU  38  57.011   0.774  -1.472
  306   HD21  LEU  38          HD21      LEU  38  57.968   1.409  -3.849
  307   HD22  LEU  38          HD22      LEU  38  58.021   3.125  -3.281
  308   HD23  LEU  38          HD23      LEU  38  57.128   2.698  -4.791
  309    H    LEU  39           HN       LEU  39  54.511   0.803  -6.939
  310    HA   LEU  39           HA       LEU  39  56.166   2.919  -7.750
  311    HB2  LEU  39           HB2      LEU  39  54.641   0.892  -9.470
  312    HB3  LEU  39           HB1      LEU  39  55.978   1.947 -10.023
  313    HG   LEU  39           HG       LEU  39  56.127  -0.309  -7.939
  314   HD11  LEU  39          HD11      LEU  39  57.526  -1.461  -9.633
  315   HD12  LEU  39          HD12      LEU  39  57.358  -0.053 -10.752
  316   HD13  LEU  39          HD13      LEU  39  55.910  -1.036 -10.318
  317   HD21  LEU  39          HD21      LEU  39  57.744   1.429  -7.235
  318   HD22  LEU  39          HD22      LEU  39  58.398   1.542  -8.915
  319   HD23  LEU  39          HD23      LEU  39  58.618   0.033  -7.952
  320    H    GLU  40           HN       GLU  40  52.707   2.152  -8.446
  321    HA   GLU  40           HA       GLU  40  52.361   4.344 -10.192
  322    HB2  GLU  40           HB2      GLU  40  49.899   3.883  -9.902
  323    HB3  GLU  40           HB1      GLU  40  50.854   2.451 -10.435
  324    HG2  GLU  40           HG2      GLU  40  50.833   1.555  -8.116
  325    HG3  GLU  40           HG1      GLU  40  49.984   2.994  -7.520
  326    H    TYR  41           HN       TYR  41  51.920   3.971  -6.647
  327    HA   TYR  41           HA       TYR  41  50.365   6.358  -6.385
  328    HB2  TYR  41           HB2      TYR  41  51.633   4.256  -4.558
  329    HB3  TYR  41           HB1      TYR  41  51.239   5.802  -3.824
  330    HD1  TYR  41           HD1      TYR  41  48.972   4.526  -6.568
  331    HD2  TYR  41           HD2      TYR  41  49.658   4.938  -2.324
  332    HE1  TYR  41           HE1      TYR  41  46.682   3.838  -6.138
  333    HE2  TYR  41           HE2      TYR  41  47.359   4.161  -1.909
  334    HH   TYR  41           HH       TYR  41  45.103   3.408  -4.589
  335    H    GLU  42           HN       GLU  42  53.711   5.571  -6.620
  336    HA   GLU  42           HA       GLU  42  54.755   7.925  -5.364
  337    HB2  GLU  42           HB2      GLU  42  55.955   5.736  -5.602
  338    HB3  GLU  42           HB1      GLU  42  56.098   6.009  -7.367
  339    HG2  GLU  42           HG2      GLU  42  57.271   7.779  -5.117
  340    HG3  GLU  42           HG1      GLU  42  58.168   6.484  -5.980
  341    H    LEU  43           HN       LEU  43  54.105   6.806  -8.694
  342    HA   LEU  43           HA       LEU  43  54.887   9.199  -9.972
  343    HB2  LEU  43           HB2      LEU  43  53.184   6.776 -10.777
  344    HB3  LEU  43           HB1      LEU  43  53.610   8.056 -11.946
  345    HG   LEU  43           HG       LEU  43  55.667   6.370 -10.398
  346   HD11  LEU  43          HD11      LEU  43  55.977   5.072 -12.490
  347   HD12  LEU  43          HD12      LEU  43  54.641   5.994 -13.280
  348   HD13  LEU  43          HD13      LEU  43  54.291   4.921 -11.871
  349   HD21  LEU  43          HD21      LEU  43  56.020   8.236 -12.829
  350   HD22  LEU  43          HD22      LEU  43  57.292   7.175 -12.115
  351   HD23  LEU  43          HD23      LEU  43  56.616   8.535 -11.152
  352    H    LEU  44           HN       LEU  44  52.000   8.239  -8.270
  353    HA   LEU  44           HA       LEU  44  50.178   9.882  -9.704
  354    HB2  LEU  44           HB2      LEU  44  49.418   7.815  -8.734
  355    HB3  LEU  44           HB1      LEU  44  50.033   8.303  -7.129
  356    HG   LEU  44           HG       LEU  44  48.297   9.946  -6.855
  357   HD11  LEU  44          HD11      LEU  44  47.336   9.241  -9.712
  358   HD12  LEU  44          HD12      LEU  44  48.037  10.818  -9.184
  359   HD13  LEU  44          HD13      LEU  44  46.447  10.281  -8.536
  360   HD21  LEU  44          HD21      LEU  44  47.788   7.594  -6.263
  361   HD22  LEU  44          HD22      LEU  44  47.114   7.305  -7.910
  362   HD23  LEU  44          HD23      LEU  44  46.301   8.468  -6.796
  363    H    GLY  45           HN       GLY  45  50.971   9.965  -6.134
  364    HA2  GLY  45           HA2      GLY  45  52.223  12.150  -5.722
  365    HA3  GLY  45           HA1      GLY  45  50.651  12.867  -6.264
  366    H    LYS  46           HN       LYS  46  50.623   9.790  -4.595
  367    HA   LYS  46           HA       LYS  46  49.281  10.988  -2.312
  368    HB2  LYS  46           HB2      LYS  46  49.794   8.125  -3.185
  369    HB3  LYS  46           HB1      LYS  46  49.079   8.559  -1.587
  370    HG2  LYS  46           HG2      LYS  46  47.270   9.825  -2.713
  371    HG3  LYS  46           HG1      LYS  46  47.916   9.369  -4.328
  372    HD2  LYS  46           HD2      LYS  46  47.423   7.010  -3.934
  373    HD3  LYS  46           HD1      LYS  46  47.024   7.324  -2.205
  374    HE2  LYS  46           HE2      LYS  46  45.091   8.756  -2.882
  375    HE3  LYS  46           HE1      LYS  46  45.460   8.446  -4.626
  376    HZ1  LYS  46           HZ1      LYS  46  43.727   7.013  -3.814
  377    HZ2  LYS  46           HZ2      LYS  46  44.734   6.396  -2.593
  378    HZ3  LYS  46           HZ3      LYS  46  45.097   6.096  -4.224
  379    H    ILE  47           HN       ILE  47  52.015   8.843  -3.127
  380    HA   ILE  47           HA       ILE  47  53.596   9.792  -0.833
  381    HB   ILE  47           HB       ILE  47  54.935   7.726  -1.187
  382   HG12  ILE  47          HG12      ILE  47  52.518   6.998  -2.972
  383   HG13  ILE  47          HG11      ILE  47  54.192   7.288  -3.533
  384   HG21  ILE  47          HG21      ILE  47  53.444   6.331   0.091
  385   HG22  ILE  47          HG22      ILE  47  51.976   7.213  -0.481
  386   HG23  ILE  47          HG23      ILE  47  53.167   8.033   0.614
  387   HD11  ILE  47           HD1      ILE  47  54.995   5.408  -2.270
  388   HD12  ILE  47           HD2      ILE  47  53.724   4.868  -3.420
  389   HD13  ILE  47           HD3      ILE  47  53.357   4.995  -1.656
  390    H    LYS  48           HN       LYS  48  55.989   9.782  -1.494
  391    HA   LYS  48           HA       LYS  48  56.433   9.789  -4.351
  392    HB2  LYS  48           HB2      LYS  48  57.630  11.941  -2.485
  393    HB3  LYS  48           HB1      LYS  48  57.998  11.779  -4.226
  394    HG2  LYS  48           HG2      LYS  48  55.512  12.278  -4.686
  395    HG3  LYS  48           HG1      LYS  48  55.383  12.696  -2.942
  396    HD2  LYS  48           HD2      LYS  48  56.999  14.107  -5.144
  397    HD3  LYS  48           HD1      LYS  48  55.683  14.736  -4.100
  398    HE2  LYS  48           HE2      LYS  48  57.515  15.738  -3.056
  399    HE3  LYS  48           HE1      LYS  48  57.433  14.187  -2.114
  400    HZ1  LYS  48           HZ1      LYS  48  59.656  14.728  -2.799
  401    HZ2  LYS  48           HZ2      LYS  48  59.202  14.758  -4.436
  402    HZ3  LYS  48           HZ3      LYS  48  59.134  13.303  -3.562
  403    H    ARG  49           HN       ARG  49  59.072   9.918  -4.494
  404    HA   ARG  49           HA       ARG  49  60.427   8.884  -2.227
  405    HB2  ARG  49           HB2      ARG  49  59.384   6.757  -3.076
  406    HB3  ARG  49           HB1      ARG  49  60.098   7.036  -4.690
  407    HG2  ARG  49           HG2      ARG  49  61.950   6.941  -2.251
  408    HG3  ARG  49           HG1      ARG  49  61.161   5.430  -2.803
  409    HD2  ARG  49           HD2      ARG  49  62.150   5.700  -5.092
  410    HD3  ARG  49           HD1      ARG  49  62.988   7.216  -4.549
  411    HE   ARG  49           HE       ARG  49  63.534   4.941  -2.780
  412   HH11  ARG  49          HH11      ARG  49  65.623   3.918  -2.904
  413   HH12  ARG  49          HH12      ARG  49  66.671   4.227  -4.248
  414   HH21  ARG  49          HH21      ARG  49  64.440   6.449  -5.898
  415   HH22  ARG  49          HH22      ARG  49  65.990   5.682  -5.969
  416    H    ILE  50           HN       ILE  50  62.670   9.377  -2.545
  417    HA   ILE  50           HA       ILE  50  63.506  10.072  -5.205
  418    HB   ILE  50           HB       ILE  50  62.502  12.177  -4.539
  419   HG12  ILE  50          HG12      ILE  50  64.454  13.707  -4.674
  420   HG13  ILE  50          HG11      ILE  50  65.577  12.339  -4.403
  421   HG21  ILE  50          HG21      ILE  50  62.552  11.845  -2.050
  422   HG22  ILE  50          HG22      ILE  50  63.193  13.447  -2.558
  423   HG23  ILE  50          HG23      ILE  50  64.330  12.150  -2.058
  424   HD11  ILE  50           HD1      ILE  50  64.824  11.283  -6.555
  425   HD12  ILE  50           HD2      ILE  50  65.370  12.974  -6.834
  426   HD13  ILE  50           HD3      ILE  50  63.608  12.597  -6.781
  427    H    ASN  51           HN       ASN  51  64.196   9.833  -1.690
  428    HA   ASN  51           HA       ASN  51  67.025   9.748  -2.211
  429    HB2  ASN  51           HB2      ASN  51  65.403   9.537   0.408
  430    HB3  ASN  51           HB1      ASN  51  67.206   9.597   0.301
  431   HD21  ASN  51          HD21      ASN  51  65.267  13.056   0.592
  432   HD22  ASN  51          HD22      ASN  51  64.710  11.510   1.140
  433    H    HIS  52           HN       HIS  52  65.607   7.716   0.286
  434    HA   HIS  52           HA       HIS  52  66.450   5.305  -1.185
  435    HB2  HIS  52           HB2      HIS  52  66.474   5.878   1.839
  436    HB3  HIS  52           HB1      HIS  52  66.846   4.287   1.080
  437    HD1  HIS  52           HD1      HIS  52  68.983   5.411   2.792
  438    HD2  HIS  52           HD2      HIS  52  68.732   6.391  -1.283
  439    HE1  HIS  52           HE1      HIS  52  71.291   6.142   2.047
  440    HE2  HIS  52           HE2      HIS  52  71.096   6.719  -0.412
  441    H    ILE  53           HN       ILE  53  64.140   6.971   1.017
  442    HA   ILE  53           HA       ILE  53  62.381   4.624   0.896
  443    HB   ILE  53           HB       ILE  53  61.526   5.293   3.067
  444   HG12  ILE  53          HG12      ILE  53  63.964   7.178   3.260
  445   HG13  ILE  53          HG11      ILE  53  62.286   7.736   2.930
  446   HG21  ILE  53          HG21      ILE  53  63.434   4.294   4.308
  447   HG22  ILE  53          HG22      ILE  53  64.548   4.661   2.947
  448   HG23  ILE  53          HG23      ILE  53  63.203   3.480   2.723
  449   HD11  ILE  53           HD1      ILE  53  61.513   6.571   5.022
  450   HD12  ILE  53           HD2      ILE  53  62.638   7.960   5.321
  451   HD13  ILE  53           HD3      ILE  53  63.236   6.262   5.462
  452    H    VAL  54           HN       VAL  54  60.021   5.300   1.371
  453    HA   VAL  54           HA       VAL  54  59.364   7.343  -0.477
  454    HB   VAL  54           HB       VAL  54  56.967   7.020   0.288
  455   HG11  VAL  54          HG11      VAL  54  57.981   5.845  -1.681
  456   HG12  VAL  54          HG12      VAL  54  56.658   4.936  -0.863
  457   HG13  VAL  54          HG13      VAL  54  58.358   4.459  -0.585
  458   HG21  VAL  54          HG21      VAL  54  58.216   4.754   1.997
  459   HG22  VAL  54          HG22      VAL  54  56.462   5.040   1.720
  460   HG23  VAL  54          HG23      VAL  54  57.429   6.243   2.635
  461    H    VAL  55           HN       VAL  55  57.904   9.199   0.143
  462    HA   VAL  55           HA       VAL  55  58.027   9.964   2.967
  463    HB   VAL  55           HB       VAL  55  57.968  12.357   2.286
  464   HG11  VAL  55          HG11      VAL  55  60.077  11.242   3.049
  465   HG12  VAL  55          HG12      VAL  55  60.402  12.542   1.843
  466   HG13  VAL  55          HG13      VAL  55  60.477  10.813   1.342
  467   HG21  VAL  55          HG21      VAL  55  57.133  12.078  -0.076
  468   HG22  VAL  55          HG22      VAL  55  58.682  11.272  -0.532
  469   HG23  VAL  55          HG23      VAL  55  58.672  12.997  -0.029
  470    H    LEU  56           HN       LEU  56  56.036  11.226   3.527
  471    HA   LEU  56           HA       LEU  56  53.764  10.478   1.824
  472    HB2  LEU  56           HB2      LEU  56  53.892  11.884   4.547
  473    HB3  LEU  56           HB1      LEU  56  52.376  11.567   3.647
  474    HG   LEU  56           HG       LEU  56  54.253   9.327   4.612
  475   HD11  LEU  56          HD11      LEU  56  53.448  10.644   6.564
  476   HD12  LEU  56          HD12      LEU  56  52.655   9.026   6.509
  477   HD13  LEU  56          HD13      LEU  56  51.746  10.492   5.986
  478   HD21  LEU  56          HD21      LEU  56  52.756   8.616   2.776
  479   HD22  LEU  56          HD22      LEU  56  51.324   9.276   3.655
  480   HD23  LEU  56          HD23      LEU  56  52.240   7.887   4.343
  481    H    ALA  57           HN       ALA  57  52.573  12.089   0.805
  482    HA   ALA  57           HA       ALA  57  53.872  14.698   0.551
  483    HB1  ALA  57           HB1      ALA  57  51.523  13.476  -1.015
  484    HB2  ALA  57           HB2      ALA  57  53.239  13.496  -1.557
  485    HB3  ALA  57           HB3      ALA  57  52.341  15.045  -1.375
  486    H    HIS  58           HN       HIS  58  51.640  13.187   2.541
  487    HA   HIS  58           HA       HIS  58  49.602  15.201   2.568
  488    HB2  HIS  58           HB2      HIS  58  50.074  12.830   4.476
  489    HB3  HIS  58           HB1      HIS  58  48.568  13.809   4.327
  490    HD1  HIS  58           HD1      HIS  58  47.706  13.707   1.578
  491    HD2  HIS  58           HD2      HIS  58  50.018  10.531   3.053
  492    HE1  HIS  58           HE1      HIS  58  47.357  11.735   0.024
  493    HE2  HIS  58           HE2      HIS  58  48.776   9.846   0.943
  494    H    HIS  59           HN       HIS  59  51.625  13.807   5.239
  495    HA   HIS  59           HA       HIS  59  51.791  16.437   6.479
  496    HB2  HIS  59           HB2      HIS  59  51.274  14.450   7.920
  497    HB3  HIS  59           HB1      HIS  59  52.816  13.690   7.402
  498    HD1  HIS  59           HD1      HIS  59  53.058  13.803  10.152
  499    HD2  HIS  59           HD2      HIS  59  53.457  17.446   8.104
  500    HE1  HIS  59           HE1      HIS  59  54.222  15.423  11.714
  501    HE2  HIS  59           HE2      HIS  59  54.441  17.605  10.442
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  35.929 -22.780  -7.436
    2    H2   MET   1           HT2      MET   1  36.307 -21.137  -7.646
    3    H3   MET   1           HT3      MET   1  37.247 -22.327  -8.407
    4    HA   MET   1           HA       MET   1  35.431 -22.995  -9.745
    5    HB2  MET   1           HB2      MET   1  33.669 -22.379  -8.034
    6    HB3  MET   1           HB1      MET   1  33.863 -20.655  -8.461
    7    HG2  MET   1           HG2      MET   1  33.060 -22.885 -10.443
    8    HG3  MET   1           HG1      MET   1  31.886 -21.984  -9.441
    9    HE1  MET   1           HE1      MET   1  31.711 -22.383 -12.540
   10    HE2  MET   1           HE2      MET   1  31.107 -20.765 -13.038
   11    HE3  MET   1           HE3      MET   1  30.496 -21.526 -11.529
   12    H    LEU   2           HN       LEU   2  35.483 -19.431  -9.036
   13    HA   LEU   2           HA       LEU   2  36.497 -18.988 -11.738
   14    HB2  LEU   2           HB2      LEU   2  34.298 -17.932 -10.924
   15    HB3  LEU   2           HB1      LEU   2  35.260 -16.958  -9.788
   16    HG   LEU   2           HG       LEU   2  36.517 -16.018 -11.841
   17   HD11  LEU   2          HD11      LEU   2  36.067 -17.812 -13.501
   18   HD12  LEU   2          HD12      LEU   2  35.424 -16.237 -14.082
   19   HD13  LEU   2          HD13      LEU   2  34.297 -17.475 -13.414
   20   HD21  LEU   2          HD21      LEU   2  33.470 -15.568 -11.752
   21   HD22  LEU   2          HD22      LEU   2  34.694 -14.461 -12.481
   22   HD23  LEU   2          HD23      LEU   2  34.699 -14.764 -10.703
   23    H    LYS   3           HN       LYS   3  37.076 -16.272  -9.808
   24    HA   LYS   3           HA       LYS   3  39.865 -17.060  -9.389
   25    HB2  LYS   3           HB2      LYS   3  39.284 -14.998 -10.765
   26    HB3  LYS   3           HB1      LYS   3  38.628 -14.242  -9.291
   27    HG2  LYS   3           HG2      LYS   3  41.523 -15.267  -9.692
   28    HG3  LYS   3           HG1      LYS   3  40.995 -13.584 -10.001
   29    HD2  LYS   3           HD2      LYS   3  41.049 -14.989  -7.258
   30    HD3  LYS   3           HD1      LYS   3  42.225 -13.796  -7.872
   31    HE2  LYS   3           HE2      LYS   3  39.236 -13.195  -7.319
   32    HE3  LYS   3           HE1      LYS   3  40.634 -12.758  -6.261
   33    HZ1  LYS   3           HZ1      LYS   3  39.929 -10.937  -7.631
   34    HZ2  LYS   3           HZ2      LYS   3  40.202 -11.829  -9.051
   35    HZ3  LYS   3           HZ3      LYS   3  41.506 -11.415  -8.043
   36    H    ASP   4           HN       ASP   4  40.056 -18.002  -7.420
   37    HA   ASP   4           HA       ASP   4  39.554 -16.449  -5.135
   38    HB2  ASP   4           HB2      ASP   4  38.212 -18.213  -3.864
   39    HB3  ASP   4           HB1      ASP   4  37.267 -17.279  -5.064
   40    H    TYR   5           HN       TYR   5  41.262 -16.896  -3.825
   41    HA   TYR   5           HA       TYR   5  42.658 -19.456  -4.218
   42    HB2  TYR   5           HB2      TYR   5  43.962 -16.712  -3.933
   43    HB3  TYR   5           HB1      TYR   5  44.836 -18.293  -4.058
   44    HD1  TYR   5           HD1      TYR   5  44.014 -15.478  -5.898
   45    HD2  TYR   5           HD2      TYR   5  43.876 -19.767  -6.194
   46    HE1  TYR   5           HE1      TYR   5  44.018 -15.309  -8.358
   47    HE2  TYR   5           HE2      TYR   5  43.848 -19.600  -8.650
   48    HH   TYR   5           HH       TYR   5  43.940 -16.413 -10.315
   49    H    HIS   6           HN       HIS   6  44.558 -18.014  -2.221
   50    HA   HIS   6           HA       HIS   6  43.377 -19.031   0.162
   51    HB2  HIS   6           HB2      HIS   6  45.863 -19.038  -0.343
   52    HB3  HIS   6           HB1      HIS   6  45.866 -17.259  -0.275
   53    HD1  HIS   6           HD1      HIS   6  44.919 -20.151   2.079
   54    HD2  HIS   6           HD2      HIS   6  46.347 -16.206   2.236
   55    HE1  HIS   6           HE1      HIS   6  45.377 -19.610   4.512
   56    HE2  HIS   6           HE2      HIS   6  46.212 -17.217   4.563
   57    H    LEU   7           HN       LEU   7  43.779 -16.004  -1.458
   58    HA   LEU   7           HA       LEU   7  43.676 -13.990   0.191
   59    HB2  LEU   7           HB2      LEU   7  41.819 -14.226  -2.246
   60    HB3  LEU   7           HB1      LEU   7  42.361 -12.686  -1.497
   61    HG   LEU   7           HG       LEU   7  44.174 -14.772  -2.860
   62   HD11  LEU   7          HD11      LEU   7  42.656 -13.666  -4.477
   63   HD12  LEU   7          HD12      LEU   7  44.359 -13.123  -4.712
   64   HD13  LEU   7          HD13      LEU   7  43.175 -12.043  -3.884
   65   HD21  LEU   7          HD21      LEU   7  45.441 -13.518  -1.131
   66   HD22  LEU   7          HD22      LEU   7  44.847 -11.952  -1.805
   67   HD23  LEU   7          HD23      LEU   7  45.939 -13.003  -2.782
   68    H    LYS   8           HN       LYS   8  42.583 -13.443   1.980
   69    HA   LYS   8           HA       LYS   8  39.712 -13.748   2.115
   70    HB2  LYS   8           HB2      LYS   8  40.530 -16.027   2.787
   71    HB3  LYS   8           HB1      LYS   8  41.702 -15.291   3.919
   72    HG2  LYS   8           HG2      LYS   8  39.800 -16.214   5.138
   73    HG3  LYS   8           HG1      LYS   8  39.816 -14.431   5.324
   74    HD2  LYS   8           HD2      LYS   8  37.997 -14.246   3.584
   75    HD3  LYS   8           HD1      LYS   8  38.043 -16.028   3.364
   76    HE2  LYS   8           HE2      LYS   8  36.125 -15.385   4.805
   77    HE3  LYS   8           HE1      LYS   8  37.325 -16.338   5.770
   78    HZ1  LYS   8           HZ1      LYS   8  37.051 -13.376   5.732
   79    HZ2  LYS   8           HZ2      LYS   8  38.182 -14.265   6.635
   80    HZ3  LYS   8           HZ3      LYS   8  36.521 -14.428   6.956
   81    H    GLU   9           HN       GLU   9  42.771 -13.291   3.979
   82    HA   GLU   9           HA       GLU   9  41.671 -10.907   5.215
   83    HB2  GLU   9           HB2      GLU   9  42.867 -11.290   7.201
   84    HB3  GLU   9           HB1      GLU   9  41.934 -12.786   6.861
   85    HG2  GLU   9           HG2      GLU   9  44.923 -12.360   6.248
   86    HG3  GLU   9           HG1      GLU   9  44.287 -13.143   7.738
   87    H    MET  10           HN       MET  10  43.033  -9.200   5.240
   88    HA   MET  10           HA       MET  10  43.883  -7.842   3.816
   89    HB2  MET  10           HB2      MET  10  46.388  -9.147   4.943
   90    HB3  MET  10           HB1      MET  10  46.333  -7.499   4.213
   91    HG2  MET  10           HG2      MET  10  44.613  -6.831   5.917
   92    HG3  MET  10           HG1      MET  10  44.773  -8.431   6.700
   93    HE1  MET  10           HE1      MET  10  48.366  -8.447   8.194
   94    HE2  MET  10           HE2      MET  10  47.941  -9.053   6.561
   95    HE3  MET  10           HE3      MET  10  46.815  -9.316   7.938
   96    HA   PRO  11           HA       PRO  11  45.044 -10.289   0.129
   97    HB2  PRO  11           HB2      PRO  11  42.935  -9.616  -1.536
   98    HB3  PRO  11           HB1      PRO  11  42.828 -10.868  -0.256
   99    HG2  PRO  11           HG1      PRO  11  41.943  -7.946  -0.003
  100    HG3  PRO  11           HG2      PRO  11  40.987  -9.446   0.359
  101    HD2  PRO  11           HD1      PRO  11  42.352  -8.124   2.367
  102    HD3  PRO  11           HD2      PRO  11  42.337  -9.901   2.337
  103    H    GLU  12           HN       GLU  12  43.468  -7.795  -1.706
  104    HA   GLU  12           HA       GLU  12  45.980  -6.257  -1.852
  105    HB2  GLU  12           HB2      GLU  12  44.125  -7.101  -4.168
  106    HB3  GLU  12           HB1      GLU  12  45.426  -5.869  -4.274
  107    HG2  GLU  12           HG2      GLU  12  46.327  -7.827  -5.249
  108    HG3  GLU  12           HG1      GLU  12  47.130  -7.643  -3.648
  109    H    MET  13           HN       MET  13  45.014  -4.845  -0.272
  110    HA   MET  13           HA       MET  13  42.738  -3.279  -1.279
  111    HB2  MET  13           HB2      MET  13  43.954  -3.509   1.521
  112    HB3  MET  13           HB1      MET  13  42.599  -2.406   1.069
  113    HG2  MET  13           HG2      MET  13  41.233  -4.404   0.433
  114    HG3  MET  13           HG1      MET  13  42.568  -5.488   0.928
  115    HE1  MET  13           HE1      MET  13  40.639  -6.710   2.228
  116    HE2  MET  13           HE2      MET  13  39.443  -5.422   1.864
  117    HE3  MET  13           HE3      MET  13  39.668  -5.986   3.555
  118    H    GLU  14           HN       GLU  14  42.965  -0.911  -0.959
  119    HA   GLU  14           HA       GLU  14  45.680  -0.147  -1.771
  120    HB2  GLU  14           HB2      GLU  14  44.608   1.576  -3.134
  121    HB3  GLU  14           HB1      GLU  14  43.881  -0.025  -3.497
  122    HG2  GLU  14           HG2      GLU  14  41.900   0.516  -2.053
  123    HG3  GLU  14           HG1      GLU  14  42.578   2.149  -1.715
  124    H    ASP  15           HN       ASP  15  43.063   0.486   0.470
  125    HA   ASP  15           HA       ASP  15  44.246   2.985   1.316
  126    HB2  ASP  15           HB2      ASP  15  42.473   3.280   2.848
  127    HB3  ASP  15           HB1      ASP  15  41.790   2.859   1.247
  128    H    GLU  16           HN       GLU  16  44.288  -0.413   2.062
  129    HA   GLU  16           HA       GLU  16  45.487  -0.380   4.589
  130    HB2  GLU  16           HB2      GLU  16  44.526  -2.414   3.475
  131    HB3  GLU  16           HB1      GLU  16  45.804  -2.318   2.218
  132    HG2  GLU  16           HG2      GLU  16  47.555  -2.704   4.048
  133    HG3  GLU  16           HG1      GLU  16  46.210  -2.902   5.232
  134    H    PHE  17           HN       PHE  17  46.732  -0.190   1.201
  135    HA   PHE  17           HA       PHE  17  49.442  -0.099   1.828
  136    HB2  PHE  17           HB2      PHE  17  48.585  -0.528  -0.486
  137    HB3  PHE  17           HB1      PHE  17  47.920   1.133  -0.554
  138    HD1  PHE  17           HD1      PHE  17  49.298   2.989  -1.069
  139    HD2  PHE  17           HD2      PHE  17  51.103  -0.834  -0.353
  140    HE1  PHE  17           HE1      PHE  17  51.469   3.852  -1.890
  141    HE2  PHE  17           HE2      PHE  17  53.257   0.013  -1.246
  142    HZ   PHE  17           HZ       PHE  17  53.459   2.389  -1.905
  143    H    LEU  18           HN       LEU  18  46.927   2.476   1.640
  144    HA   LEU  18           HA       LEU  18  48.729   4.610   1.797
  145    HB2  LEU  18           HB2      LEU  18  45.739   4.224   2.072
  146    HB3  LEU  18           HB1      LEU  18  46.384   5.803   2.541
  147    HG   LEU  18           HG       LEU  18  46.945   4.467  -0.163
  148   HD11  LEU  18          HD11      LEU  18  45.236   5.980  -1.160
  149   HD12  LEU  18          HD12      LEU  18  44.806   6.594   0.482
  150   HD13  LEU  18          HD13      LEU  18  44.504   4.867   0.054
  151   HD21  LEU  18          HD21      LEU  18  47.318   7.402   0.722
  152   HD22  LEU  18          HD22      LEU  18  47.630   6.733  -0.923
  153   HD23  LEU  18          HD23      LEU  18  48.640   6.204   0.457
  154    H    GLU  19           HN       GLU  19  47.535   2.509   4.334
  155    HA   GLU  19           HA       GLU  19  48.056   4.566   6.377
  156    HB2  GLU  19           HB2      GLU  19  46.869   1.765   6.551
  157    HB3  GLU  19           HB1      GLU  19  47.239   2.797   7.977
  158    HG2  GLU  19           HG2      GLU  19  45.258   3.505   5.713
  159    HG3  GLU  19           HG1      GLU  19  44.856   2.934   7.370
  160    H    TYR  20           HN       TYR  20  49.478   1.917   4.691
  161    HA   TYR  20           HA       TYR  20  51.390   1.158   6.720
  162    HB2  TYR  20           HB2      TYR  20  50.843   0.521   3.760
  163    HB3  TYR  20           HB1      TYR  20  52.341  -0.012   4.460
  164    HD1  TYR  20           HD1      TYR  20  52.216  -2.264   4.407
  165    HD2  TYR  20           HD2      TYR  20  49.113  -0.097   6.417
  166    HE1  TYR  20           HE1      TYR  20  51.321  -4.390   5.292
  167    HE2  TYR  20           HE2      TYR  20  48.222  -2.205   7.332
  168    HH   TYR  20           HH       TYR  20  48.414  -4.452   7.404
  169    H    CYS  21           HN       CYS  21  50.959   3.449   4.224
  170    HA   CYS  21           HA       CYS  21  53.611   3.659   3.411
  171    HB2  CYS  21           HB2      CYS  21  51.455   5.874   3.318
  172    HB3  CYS  21           HB1      CYS  21  53.068   6.039   2.566
  173    HG   CYS  21           HG1      CYS  21  51.362   5.661   0.733
  174    H    ALA  22           HN       ALA  22  51.881   4.844   6.167
  175    HA   ALA  22           HA       ALA  22  53.423   7.040   6.949
  176    HB1  ALA  22           HB1      ALA  22  51.083   6.590   7.723
  177    HB2  ALA  22           HB2      ALA  22  52.209   6.761   9.123
  178    HB3  ALA  22           HB3      ALA  22  51.654   5.123   8.591
  179    H    LYS  23           HN       LYS  23  54.073   3.650   6.971
  180    HA   LYS  23           HA       LYS  23  56.292   3.918   8.839
  181    HB2  LYS  23           HB2      LYS  23  54.970   1.744   8.873
  182    HB3  LYS  23           HB1      LYS  23  55.396   1.505   7.156
  183    HG2  LYS  23           HG2      LYS  23  57.915   1.695   7.999
  184    HG3  LYS  23           HG1      LYS  23  57.213   1.508   9.637
  185    HD2  LYS  23           HD2      LYS  23  57.959  -0.653   8.912
  186    HD3  LYS  23           HD1      LYS  23  56.161  -0.691   8.829
  187    HE2  LYS  23           HE2      LYS  23  56.281  -0.357   6.323
  188    HE3  LYS  23           HE1      LYS  23  58.083  -0.236   6.429
  189    HZ1  LYS  23           HZ1      LYS  23  56.442  -2.598   7.180
  190    HZ2  LYS  23           HZ2      LYS  23  58.135  -2.482   7.261
  191    HZ3  LYS  23           HZ3      LYS  23  57.351  -2.405   5.758
  192    H    ASN  24           HN       ASN  24  57.140   5.601   7.580
  193    HA   ASN  24           HA       ASN  24  57.844   5.384   4.910
  194    HB2  ASN  24           HB2      ASN  24  59.118   7.192   7.041
  195    HB3  ASN  24           HB1      ASN  24  59.317   7.363   5.262
  196   HD21  ASN  24          HD21      ASN  24  55.970   8.614   4.679
  197   HD22  ASN  24          HD22      ASN  24  57.272   7.726   3.960
  198    HA   PRO  25           HA       PRO  25  62.228   3.980   6.271
  199    HB2  PRO  25           HB2      PRO  25  62.228   2.324   8.632
  200    HB3  PRO  25           HB1      PRO  25  62.845   4.029   8.528
  201    HG2  PRO  25           HG1      PRO  25  60.082   3.051   9.407
  202    HG3  PRO  25           HG2      PRO  25  61.122   4.325  10.176
  203    HD2  PRO  25           HD1      PRO  25  59.059   5.049   8.552
  204    HD3  PRO  25           HD2      PRO  25  60.662   5.880   8.340
  205    H    SER  26           HN       SER  26  62.938   2.065   5.310
  206    HA   SER  26           HA       SER  26  62.816   0.195   4.267
  207    HB2  SER  26           HB2      SER  26  61.198  -0.680   6.707
  208    HB3  SER  26           HB1      SER  26  61.702  -1.829   5.391
  209    HG   SER  26           HG1      SER  26  63.771  -1.472   5.895
  210    H    TYR  27           HN       TYR  27  61.666   1.717   2.833
  211    HA   TYR  27           HA       TYR  27  58.879   1.563   2.528
  212    HB2  TYR  27           HB2      TYR  27  59.112   3.021   0.727
  213    HB3  TYR  27           HB1      TYR  27  60.430   3.530   1.839
  214    HD1  TYR  27           HD1      TYR  27  59.762   3.585  -1.396
  215    HD2  TYR  27           HD2      TYR  27  62.663   1.618   1.100
  216    HE1  TYR  27           HE1      TYR  27  61.182   3.262  -3.329
  217    HE2  TYR  27           HE2      TYR  27  64.062   1.189  -0.872
  218    HH   TYR  27           HH       TYR  27  63.080   2.311  -4.149
  219    H    GLU  28           HN       GLU  28  61.567  -0.208   1.511
  220    HA   GLU  28           HA       GLU  28  60.777  -1.451  -0.838
  221    HB2  GLU  28           HB2      GLU  28  62.635  -3.155   0.022
  222    HB3  GLU  28           HB1      GLU  28  63.088  -1.491  -0.461
  223    HG2  GLU  28           HG2      GLU  28  63.235  -0.692   1.817
  224    HG3  GLU  28           HG1      GLU  28  62.551  -2.202   2.504
  225    H    GLU  29           HN       GLU  29  60.255  -2.208   2.627
  226    HA   GLU  29           HA       GLU  29  59.241  -4.820   2.101
  227    HB2  GLU  29           HB2      GLU  29  59.073  -2.967   4.529
  228    HB3  GLU  29           HB1      GLU  29  58.459  -4.664   4.512
  229    HG2  GLU  29           HG2      GLU  29  60.717  -5.547   4.057
  230    HG3  GLU  29           HG1      GLU  29  61.394  -3.886   3.932
  231    H    ALA  30           HN       ALA  30  57.922  -1.526   2.103
  232    HA   ALA  30           HA       ALA  30  55.183  -2.460   2.234
  233    HB1  ALA  30           HB1      ALA  30  54.595  -0.049   2.034
  234    HB2  ALA  30           HB2      ALA  30  56.332   0.354   1.752
  235    HB3  ALA  30           HB3      ALA  30  55.804  -0.304   3.341
  236    H    TYR  31           HN       TYR  31  57.629  -1.981  -0.190
  237    HA   TYR  31           HA       TYR  31  55.756  -1.502  -2.363
  238    HB2  TYR  31           HB2      TYR  31  57.945  -0.398  -2.605
  239    HB3  TYR  31           HB1      TYR  31  58.764  -1.806  -1.980
  240    HD1  TYR  31           HD1      TYR  31  56.278  -1.866  -4.780
  241    HD2  TYR  31           HD2      TYR  31  60.408  -2.017  -3.660
  242    HE1  TYR  31           HE1      TYR  31  56.836  -2.709  -7.030
  243    HE2  TYR  31           HE2      TYR  31  61.003  -2.780  -5.929
  244    HH   TYR  31           HH       TYR  31  60.249  -3.383  -7.965
  245    H    LEU  32           HN       LEU  32  58.141  -3.994  -1.358
  246    HA   LEU  32           HA       LEU  32  57.489  -5.698  -3.445
  247    HB2  LEU  32           HB2      LEU  32  59.007  -6.108  -0.817
  248    HB3  LEU  32           HB1      LEU  32  58.999  -7.313  -2.139
  249    HG   LEU  32           HG       LEU  32  59.914  -4.383  -2.512
  250   HD11  LEU  32          HD11      LEU  32  61.687  -6.840  -1.891
  251   HD12  LEU  32          HD12      LEU  32  61.334  -5.481  -0.760
  252   HD13  LEU  32          HD13      LEU  32  62.258  -5.172  -2.276
  253   HD21  LEU  32          HD21      LEU  32  61.110  -5.265  -4.519
  254   HD22  LEU  32          HD22      LEU  32  59.335  -5.525  -4.640
  255   HD23  LEU  32          HD23      LEU  32  60.420  -6.905  -4.223
  256    H    LYS  33           HN       LYS  33  56.198  -5.474  -0.195
  257    HA   LYS  33           HA       LYS  33  55.040  -8.028   0.001
  258    HB2  LYS  33           HB2      LYS  33  55.324  -6.491   1.958
  259    HB3  LYS  33           HB1      LYS  33  54.171  -5.349   1.247
  260    HG2  LYS  33           HG2      LYS  33  53.041  -8.116   1.591
  261    HG3  LYS  33           HG1      LYS  33  53.650  -7.388   3.118
  262    HD2  LYS  33           HD2      LYS  33  52.275  -5.396   2.757
  263    HD3  LYS  33           HD1      LYS  33  51.772  -6.002   1.140
  264    HE2  LYS  33           HE2      LYS  33  51.062  -7.267   3.875
  265    HE3  LYS  33           HE1      LYS  33  49.969  -6.329   2.784
  266    HZ1  LYS  33           HZ1      LYS  33  51.246  -8.920   2.120
  267    HZ2  LYS  33           HZ2      LYS  33  50.216  -8.016   1.117
  268    HZ3  LYS  33           HZ3      LYS  33  49.625  -8.674   2.566
  269    H    PHE  34           HN       PHE  34  53.843  -4.870  -1.228
  270    HA   PHE  34           HA       PHE  34  51.265  -5.925  -1.954
  271    HB2  PHE  34           HB2      PHE  34  52.625  -3.167  -2.296
  272    HB3  PHE  34           HB1      PHE  34  51.003  -3.528  -2.954
  273    HD1  PHE  34           HD1      PHE  34  53.014  -3.532   0.191
  274    HD2  PHE  34           HD2      PHE  34  49.075  -3.373  -1.506
  275    HE1  PHE  34           HE1      PHE  34  52.107  -3.032   2.399
  276    HE2  PHE  34           HE2      PHE  34  48.148  -2.838   0.732
  277    HZ   PHE  34           HZ       PHE  34  49.679  -2.594   2.689
  278    H    GLY  35           HN       GLY  35  53.361  -3.859  -3.985
  279    HA2  GLY  35           HA2      GLY  35  54.693  -5.407  -5.538
  280    HA3  GLY  35           HA1      GLY  35  53.042  -5.612  -6.258
  281    H    ASP  36           HN       ASP  36  52.614  -4.258  -7.867
  282    HA   ASP  36           HA       ASP  36  54.305  -2.059  -8.380
  283    HB2  ASP  36           HB2      ASP  36  51.708  -2.926  -9.769
  284    HB3  ASP  36           HB1      ASP  36  52.848  -1.676 -10.386
  285    H    LYS  37           HN       LYS  37  51.950  -2.235  -6.116
  286    HA   LYS  37           HA       LYS  37  50.303  -0.050  -6.498
  287    HB2  LYS  37           HB2      LYS  37  49.923  -1.961  -4.915
  288    HB3  LYS  37           HB1      LYS  37  51.258  -1.338  -3.917
  289    HG2  LYS  37           HG2      LYS  37  49.079  -0.707  -2.968
  290    HG3  LYS  37           HG1      LYS  37  50.028   0.741  -3.451
  291    HD2  LYS  37           HD2      LYS  37  47.687   1.078  -3.940
  292    HD3  LYS  37           HD1      LYS  37  48.626   1.040  -5.470
  293    HE2  LYS  37           HE2      LYS  37  47.826  -1.331  -5.881
  294    HE3  LYS  37           HE1      LYS  37  46.893  -1.267  -4.328
  295    HZ1  LYS  37           HZ1      LYS  37  46.523   0.513  -6.682
  296    HZ2  LYS  37           HZ2      LYS  37  45.645   0.580  -5.229
  297    HZ3  LYS  37           HZ3      LYS  37  45.529  -0.788  -6.230
  298    H    LEU  38           HN       LEU  38  53.540  -0.377  -4.943
  299    HA   LEU  38           HA       LEU  38  53.497   2.353  -3.999
  300    HB2  LEU  38           HB2      LEU  38  54.779   0.445  -2.780
  301    HB3  LEU  38           HB1      LEU  38  55.856   0.362  -4.129
  302    HG   LEU  38           HG       LEU  38  55.511   3.112  -2.944
  303   HD11  LEU  38          HD11      LEU  38  56.891   0.905  -1.300
  304   HD12  LEU  38          HD12      LEU  38  55.377   1.770  -0.867
  305   HD13  LEU  38          HD13      LEU  38  56.934   2.668  -0.957
  306   HD21  LEU  38          HD21      LEU  38  58.000   1.442  -3.657
  307   HD22  LEU  38          HD22      LEU  38  57.991   3.186  -3.176
  308   HD23  LEU  38          HD23      LEU  38  57.201   2.666  -4.712
  309    H    LEU  39           HN       LEU  39  54.524   0.682  -6.936
  310    HA   LEU  39           HA       LEU  39  56.248   2.713  -7.839
  311    HB2  LEU  39           HB2      LEU  39  54.661   0.646  -9.449
  312    HB3  LEU  39           HB1      LEU  39  56.001   1.659 -10.075
  313    HG   LEU  39           HG       LEU  39  56.184  -0.473  -7.860
  314   HD11  LEU  39          HD11      LEU  39  55.844  -1.390 -10.148
  315   HD12  LEU  39          HD12      LEU  39  57.494  -1.770  -9.523
  316   HD13  LEU  39          HD13      LEU  39  57.268  -0.456 -10.743
  317   HD21  LEU  39          HD21      LEU  39  57.860   1.282  -7.367
  318   HD22  LEU  39          HD22      LEU  39  58.429   1.263  -9.080
  319   HD23  LEU  39          HD23      LEU  39  58.680  -0.175  -8.023
  320    H    GLU  40           HN       GLU  40  52.758   2.008  -8.472
  321    HA   GLU  40           HA       GLU  40  52.464   4.134 -10.301
  322    HB2  GLU  40           HB2      GLU  40  49.997   3.777  -9.997
  323    HB3  GLU  40           HB1      GLU  40  50.893   2.282 -10.450
  324    HG2  GLU  40           HG2      GLU  40  50.827   1.514  -8.085
  325    HG3  GLU  40           HG1      GLU  40  50.024   3.010  -7.575
  326    H    TYR  41           HN       TYR  41  52.020   3.921  -6.745
  327    HA   TYR  41           HA       TYR  41  50.545   6.374  -6.598
  328    HB2  TYR  41           HB2      TYR  41  51.671   4.271  -4.677
  329    HB3  TYR  41           HB1      TYR  41  51.301   5.845  -3.997
  330    HD1  TYR  41           HD1      TYR  41  49.660   4.953  -2.538
  331    HD2  TYR  41           HD2      TYR  41  49.061   4.686  -6.805
  332    HE1  TYR  41           HE1      TYR  41  47.315   4.294  -2.199
  333    HE2  TYR  41           HE2      TYR  41  46.740   4.078  -6.448
  334    HH   TYR  41           HH       TYR  41  45.357   3.753  -3.147
  335    H    GLU  42           HN       GLU  42  53.865   5.439  -6.699
  336    HA   GLU  42           HA       GLU  42  54.949   7.824  -5.516
  337    HB2  GLU  42           HB2      GLU  42  56.230   5.736  -5.504
  338    HB3  GLU  42           HB1      GLU  42  56.167   5.650  -7.300
  339    HG2  GLU  42           HG2      GLU  42  57.563   7.752  -7.434
  340    HG3  GLU  42           HG1      GLU  42  57.647   7.798  -5.633
  341    H    LEU  43           HN       LEU  43  54.291   6.585  -8.804
  342    HA   LEU  43           HA       LEU  43  55.269   8.871 -10.163
  343    HB2  LEU  43           HB2      LEU  43  53.490   6.486 -10.912
  344    HB3  LEU  43           HB1      LEU  43  53.958   7.712 -12.124
  345    HG   LEU  43           HG       LEU  43  55.970   6.045 -10.504
  346   HD11  LEU  43          HD11      LEU  43  54.934   5.563 -13.367
  347   HD12  LEU  43          HD12      LEU  43  54.559   4.561 -11.913
  348   HD13  LEU  43          HD13      LEU  43  56.249   4.647 -12.536
  349   HD21  LEU  43          HD21      LEU  43  57.609   6.738 -12.257
  350   HD22  LEU  43          HD22      LEU  43  56.961   8.156 -11.360
  351   HD23  LEU  43          HD23      LEU  43  56.357   7.788 -13.020
  352    H    LEU  44           HN       LEU  44  52.283   8.103  -8.535
  353    HA   LEU  44           HA       LEU  44  50.596   9.781 -10.092
  354    HB2  LEU  44           HB2      LEU  44  49.702   7.779  -9.106
  355    HB3  LEU  44           HB1      LEU  44  50.274   8.276  -7.487
  356    HG   LEU  44           HG       LEU  44  48.602   9.990  -7.314
  357   HD11  LEU  44          HD11      LEU  44  47.751   9.312 -10.213
  358   HD12  LEU  44          HD12      LEU  44  48.497  10.858  -9.657
  359   HD13  LEU  44          HD13      LEU  44  46.853  10.399  -9.088
  360   HD21  LEU  44          HD21      LEU  44  46.529   8.609  -7.367
  361   HD22  LEU  44          HD22      LEU  44  47.939   7.674  -6.735
  362   HD23  LEU  44          HD23      LEU  44  47.353   7.397  -8.417
  363    H    GLY  45           HN       GLY  45  51.290   9.910  -6.506
  364    HA2  GLY  45           HA2      GLY  45  52.673  11.982  -6.074
  365    HA3  GLY  45           HA1      GLY  45  51.206  12.830  -6.711
  366    H    LYS  46           HN       LYS  46  50.922   9.798  -4.947
  367    HA   LYS  46           HA       LYS  46  49.500  11.138  -2.796
  368    HB2  LYS  46           HB2      LYS  46  49.933   8.220  -3.520
  369    HB3  LYS  46           HB1      LYS  46  49.123   8.762  -2.003
  370    HG2  LYS  46           HG2      LYS  46  47.479  10.072  -3.337
  371    HG3  LYS  46           HG1      LYS  46  48.209   9.468  -4.864
  372    HD2  LYS  46           HD2      LYS  46  47.543   7.171  -4.346
  373    HD3  LYS  46           HD1      LYS  46  47.039   7.642  -2.681
  374    HE2  LYS  46           HE2      LYS  46  45.249   9.109  -3.584
  375    HE3  LYS  46           HE1      LYS  46  45.716   8.670  -5.275
  376    HZ1  LYS  46           HZ1      LYS  46  44.744   6.793  -3.179
  377    HZ2  LYS  46           HZ2      LYS  46  45.200   6.371  -4.759
  378    HZ3  LYS  46           HZ3      LYS  46  43.858   7.379  -4.503
  379    H    ILE  47           HN       ILE  47  52.179   8.854  -3.376
  380    HA   ILE  47           HA       ILE  47  53.674   9.814  -1.030
  381    HB   ILE  47           HB       ILE  47  54.959   7.706  -1.267
  382   HG12  ILE  47          HG12      ILE  47  52.614   7.013  -3.162
  383   HG13  ILE  47          HG11      ILE  47  54.321   7.243  -3.650
  384   HG21  ILE  47          HG21      ILE  47  51.952   7.281  -0.717
  385   HG22  ILE  47          HG22      ILE  47  53.100   8.097   0.426
  386   HG23  ILE  47          HG23      ILE  47  53.364   6.379  -0.047
  387   HD11  ILE  47           HD1      ILE  47  55.004   5.369  -2.309
  388   HD12  ILE  47           HD2      ILE  47  53.785   4.844  -3.521
  389   HD13  ILE  47           HD3      ILE  47  53.322   5.009  -1.782
  390    H    LYS  48           HN       LYS  48  56.085   9.777  -1.564
  391    HA   LYS  48           HA       LYS  48  56.702   9.651  -4.387
  392    HB2  LYS  48           HB2      LYS  48  57.695  11.945  -2.562
  393    HB3  LYS  48           HB1      LYS  48  58.261  11.658  -4.242
  394    HG2  LYS  48           HG2      LYS  48  55.972  12.131  -5.107
  395    HG3  LYS  48           HG1      LYS  48  55.402  12.474  -3.436
  396    HD2  LYS  48           HD2      LYS  48  57.624  14.014  -4.914
  397    HD3  LYS  48           HD1      LYS  48  55.906  14.532  -4.752
  398    HE2  LYS  48           HE2      LYS  48  56.171  14.605  -2.235
  399    HE3  LYS  48           HE1      LYS  48  57.918  14.162  -2.424
  400    HZ1  LYS  48           HZ1      LYS  48  56.591  16.572  -3.547
  401    HZ2  LYS  48           HZ2      LYS  48  58.228  16.154  -3.723
  402    HZ3  LYS  48           HZ3      LYS  48  57.604  16.513  -2.185
  403    H    ARG  49           HN       ARG  49  59.319   9.759  -4.427
  404    HA   ARG  49           HA       ARG  49  60.592   8.924  -2.026
  405    HB2  ARG  49           HB2      ARG  49  59.690   6.716  -2.665
  406    HB3  ARG  49           HB1      ARG  49  60.275   6.907  -4.340
  407    HG2  ARG  49           HG2      ARG  49  62.343   7.053  -2.108
  408    HG3  ARG  49           HG1      ARG  49  61.537   5.486  -2.398
  409    HD2  ARG  49           HD2      ARG  49  62.228   5.519  -4.810
  410    HD3  ARG  49           HD1      ARG  49  63.092   7.095  -4.540
  411    HE   ARG  49           HE       ARG  49  63.962   5.139  -2.590
  412   HH11  ARG  49          HH11      ARG  49  65.990   4.032  -2.888
  413   HH12  ARG  49          HH12      ARG  49  66.755   4.008  -4.442
  414   HH21  ARG  49          HH21      ARG  49  64.235   5.917  -6.071
  415   HH22  ARG  49          HH22      ARG  49  65.744   5.093  -6.274
  416    H    ILE  50           HN       ILE  50  62.900   9.292  -2.315
  417    HA   ILE  50           HA       ILE  50  63.772   9.945  -4.976
  418    HB   ILE  50           HB       ILE  50  62.831  12.085  -4.313
  419   HG12  ILE  50          HG12      ILE  50  64.832  13.548  -4.474
  420   HG13  ILE  50          HG11      ILE  50  65.912  12.145  -4.205
  421   HG21  ILE  50          HG21      ILE  50  63.578  13.341  -2.345
  422   HG22  ILE  50          HG22      ILE  50  64.686  12.016  -1.851
  423   HG23  ILE  50          HG23      ILE  50  62.900  11.759  -1.820
  424   HD11  ILE  50           HD1      ILE  50  65.108  11.103  -6.345
  425   HD12  ILE  50           HD2      ILE  50  65.705  12.774  -6.637
  426   HD13  ILE  50           HD3      ILE  50  63.932  12.454  -6.568
  427    H    ASN  51           HN       ASN  51  64.450   9.705  -1.457
  428    HA   ASN  51           HA       ASN  51  67.275   9.479  -1.977
  429    HB2  ASN  51           HB2      ASN  51  65.649   9.362   0.649
  430    HB3  ASN  51           HB1      ASN  51  67.452   9.352   0.537
  431   HD21  ASN  51          HD21      ASN  51  67.607  12.828  -0.678
  432   HD22  ASN  51          HD22      ASN  51  68.251  11.273  -1.086
  433    H    HIS  52           HN       HIS  52  65.867   7.530   0.575
  434    HA   HIS  52           HA       HIS  52  66.322   5.092  -1.012
  435    HB2  HIS  52           HB2      HIS  52  67.847   5.279   0.980
  436    HB3  HIS  52           HB1      HIS  52  66.418   5.421   2.050
  437    HD1  HIS  52           HD1      HIS  52  64.839   3.173   2.050
  438    HD2  HIS  52           HD2      HIS  52  68.603   2.711   0.252
  439    HE1  HIS  52           HE1      HIS  52  65.273   0.686   1.840
  440    HE2  HIS  52           HE2      HIS  52  67.545   0.451   0.748
  441    H    ILE  53           HN       ILE  53  64.244   6.915   1.360
  442    HA   ILE  53           HA       ILE  53  62.360   4.679   1.247
  443    HB   ILE  53           HB       ILE  53  61.511   5.450   3.364
  444   HG12  ILE  53          HG12      ILE  53  63.921   7.371   3.486
  445   HG13  ILE  53          HG11      ILE  53  62.233   7.885   3.142
  446   HG21  ILE  53          HG21      ILE  53  63.420   4.536   4.673
  447   HG22  ILE  53          HG22      ILE  53  64.539   4.847   3.308
  448   HG23  ILE  53          HG23      ILE  53  63.209   3.638   3.130
  449   HD11  ILE  53           HD1      ILE  53  61.500   6.755   5.293
  450   HD12  ILE  53           HD2      ILE  53  62.565   8.204   5.520
  451   HD13  ILE  53           HD3      ILE  53  63.238   6.543   5.725
  452    H    VAL  54           HN       VAL  54  60.015   5.420   1.666
  453    HA   VAL  54           HA       VAL  54  59.456   7.407  -0.279
  454    HB   VAL  54           HB       VAL  54  57.014   7.141   0.447
  455   HG11  VAL  54          HG11      VAL  54  56.688   5.069  -0.715
  456   HG12  VAL  54          HG12      VAL  54  58.383   4.572  -0.423
  457   HG13  VAL  54          HG13      VAL  54  58.029   5.968  -1.514
  458   HG21  VAL  54          HG21      VAL  54  58.198   4.840   2.156
  459   HG22  VAL  54          HG22      VAL  54  56.454   5.174   1.866
  460   HG23  VAL  54          HG23      VAL  54  57.445   6.343   2.801
  461    H    VAL  55           HN       VAL  55  58.077   9.320   0.203
  462    HA   VAL  55           HA       VAL  55  58.024  10.154   3.012
  463    HB   VAL  55           HB       VAL  55  57.986  12.523   2.240
  464   HG11  VAL  55          HG11      VAL  55  60.051  11.450   3.165
  465   HG12  VAL  55          HG12      VAL  55  60.443  12.701   1.928
  466   HG13  VAL  55          HG13      VAL  55  60.549  10.954   1.503
  467   HG21  VAL  55          HG21      VAL  55  58.863  11.335  -0.490
  468   HG22  VAL  55          HG22      VAL  55  58.823  13.078  -0.052
  469   HG23  VAL  55          HG23      VAL  55  57.289  12.150  -0.151
  470    H    LEU  56           HN       LEU  56  55.993  11.330   3.471
  471    HA   LEU  56           HA       LEU  56  53.815  10.547   1.665
  472    HB2  LEU  56           HB2      LEU  56  53.808  11.932   4.402
  473    HB3  LEU  56           HB1      LEU  56  52.332  11.583   3.449
  474    HG   LEU  56           HG       LEU  56  54.232   9.371   4.429
  475   HD11  LEU  56          HD11      LEU  56  51.716  10.486   5.822
  476   HD12  LEU  56          HD12      LEU  56  53.418  10.653   6.397
  477   HD13  LEU  56          HD13      LEU  56  52.647   9.026   6.322
  478   HD21  LEU  56          HD21      LEU  56  51.306   9.312   3.460
  479   HD22  LEU  56          HD22      LEU  56  52.212   7.922   4.162
  480   HD23  LEU  56          HD23      LEU  56  52.745   8.647   2.596
  481    H    ALA  57           HN       ALA  57  52.621  12.153   0.618
  482    HA   ALA  57           HA       ALA  57  53.914  14.698   0.230
  483    HB1  ALA  57           HB1      ALA  57  51.201  13.662  -0.800
  484    HB2  ALA  57           HB2      ALA  57  52.763  13.570  -1.687
  485    HB3  ALA  57           HB3      ALA  57  52.028  15.175  -1.338
  486    H    HIS  58           HN       HIS  58  51.079  13.336   1.920
  487    HA   HIS  58           HA       HIS  58  50.100  15.927   2.715
  488    HB2  HIS  58           HB2      HIS  58  49.161  13.126   3.573
  489    HB3  HIS  58           HB1      HIS  58  48.296  14.681   3.840
  490    HD1  HIS  58           HD1      HIS  58  49.289  12.304   1.032
  491    HD2  HIS  58           HD2      HIS  58  46.742  15.577   1.682
  492    HE1  HIS  58           HE1      HIS  58  47.819  12.534  -1.019
  493    HE2  HIS  58           HE2      HIS  58  46.304  14.520  -0.588
  494    H    HIS  59           HN       HIS  59  49.641  16.308   5.087
  495    HA   HIS  59           HA       HIS  59  51.388  14.930   6.930
  496    HB2  HIS  59           HB2      HIS  59  52.365  17.039   7.830
  497    HB3  HIS  59           HB1      HIS  59  52.885  16.732   6.142
  498    HD1  HIS  59           HD1      HIS  59  53.333  19.455   6.716
  499    HD2  HIS  59           HD2      HIS  59  49.429  18.268   5.729
  500    HE1  HIS  59           HE1      HIS  59  52.091  21.520   5.930
  501    HE2  HIS  59           HE2      HIS  59  49.745  20.760   5.347
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  40.015 -13.227  15.847
    2    H2   MET   1           HT2      MET   1  40.022 -11.584  15.412
    3    H3   MET   1           HT3      MET   1  38.654 -12.259  16.159
    4    HA   MET   1           HA       MET   1  39.868 -12.672  18.130
    5    HB2  MET   1           HB2      MET   1  42.162 -11.722  18.471
    6    HB3  MET   1           HB1      MET   1  42.086 -13.067  17.295
    7    HG2  MET   1           HG2      MET   1  42.147 -11.437  15.397
    8    HG3  MET   1           HG1      MET   1  42.300 -10.085  16.559
    9    HE1  MET   1           HE1      MET   1  44.260 -11.019  18.823
   10    HE2  MET   1           HE2      MET   1  44.280  -9.458  17.929
   11    HE3  MET   1           HE3      MET   1  45.793 -10.406  18.121
   12    H    LEU   2           HN       LEU   2  40.112  -9.675  16.123
   13    HA   LEU   2           HA       LEU   2  39.300  -8.077  18.435
   14    HB2  LEU   2           HB2      LEU   2  41.362  -7.429  17.101
   15    HB3  LEU   2           HB1      LEU   2  40.316  -7.256  15.659
   16    HG   LEU   2           HG       LEU   2  39.012  -5.462  16.899
   17   HD11  LEU   2          HD11      LEU   2  41.280  -5.671  18.980
   18   HD12  LEU   2          HD12      LEU   2  39.534  -6.039  19.257
   19   HD13  LEU   2          HD13      LEU   2  40.049  -4.356  18.886
   20   HD21  LEU   2          HD21      LEU   2  40.764  -4.900  15.235
   21   HD22  LEU   2          HD22      LEU   2  42.023  -4.922  16.527
   22   HD23  LEU   2          HD23      LEU   2  40.712  -3.683  16.563
   23    H    LYS   3           HN       LYS   3  37.399  -6.830  18.341
   24    HA   LYS   3           HA       LYS   3  35.439  -7.696  16.368
   25    HB2  LYS   3           HB2      LYS   3  34.947  -7.808  18.826
   26    HB3  LYS   3           HB1      LYS   3  35.086  -6.029  18.939
   27    HG2  LYS   3           HG2      LYS   3  33.135  -7.335  16.955
   28    HG3  LYS   3           HG1      LYS   3  32.742  -7.294  18.706
   29    HD2  LYS   3           HD2      LYS   3  32.857  -4.848  18.770
   30    HD3  LYS   3           HD1      LYS   3  33.346  -4.782  17.044
   31    HE2  LYS   3           HE2      LYS   3  31.152  -5.855  16.383
   32    HE3  LYS   3           HE1      LYS   3  30.647  -5.852  18.123
   33    HZ1  LYS   3           HZ1      LYS   3  30.861  -3.457  18.114
   34    HZ2  LYS   3           HZ2      LYS   3  29.773  -3.985  16.921
   35    HZ3  LYS   3           HZ3      LYS   3  31.331  -3.469  16.482
   36    H    ASP   4           HN       ASP   4  35.052  -6.413  14.620
   37    HA   ASP   4           HA       ASP   4  36.123  -3.697  14.607
   38    HB2  ASP   4           HB2      ASP   4  34.940  -5.430  12.351
   39    HB3  ASP   4           HB1      ASP   4  35.563  -3.749  12.142
   40    H    TYR   5           HN       TYR   5  34.811  -1.900  14.213
   41    HA   TYR   5           HA       TYR   5  32.097  -2.264  15.222
   42    HB2  TYR   5           HB2      TYR   5  33.870   0.211  15.107
   43    HB3  TYR   5           HB1      TYR   5  32.248   0.102  15.908
   44    HD1  TYR   5           HD1      TYR   5  35.833  -0.670  16.179
   45    HD2  TYR   5           HD2      TYR   5  31.955  -1.399  17.880
   46    HE1  TYR   5           HE1      TYR   5  36.899  -1.594  18.202
   47    HE2  TYR   5           HE2      TYR   5  33.014  -2.327  19.906
   48    HH   TYR   5           HH       TYR   5  36.590  -2.541  20.220
   49    H    HIS   6           HN       HIS   6  32.124   0.689  14.079
   50    HA   HIS   6           HA       HIS   6  30.693   0.210  11.660
   51    HB2  HIS   6           HB2      HIS   6  30.363   2.173  13.283
   52    HB3  HIS   6           HB1      HIS   6  31.929   2.826  12.747
   53    HD1  HIS   6           HD1      HIS   6  28.644   1.731  11.066
   54    HD2  HIS   6           HD2      HIS   6  31.679   4.600  10.637
   55    HE1  HIS   6           HE1      HIS   6  27.996   3.230   9.129
   56    HE2  HIS   6           HE2      HIS   6  29.853   4.939   8.899
   57    H    LEU   7           HN       LEU   7  33.919   0.842  12.694
   58    HA   LEU   7           HA       LEU   7  35.177   1.771  10.411
   59    HB2  LEU   7           HB2      LEU   7  36.359  -0.118  12.534
   60    HB3  LEU   7           HB1      LEU   7  37.288   0.983  11.459
   61    HG   LEU   7           HG       LEU   7  35.316   1.828  13.674
   62   HD11  LEU   7          HD11      LEU   7  38.395   1.898  13.636
   63   HD12  LEU   7          HD12      LEU   7  37.361   0.764  14.585
   64   HD13  LEU   7          HD13      LEU   7  37.325   2.531  14.944
   65   HD21  LEU   7          HD21      LEU   7  35.381   3.548  11.882
   66   HD22  LEU   7          HD22      LEU   7  37.186   3.561  11.933
   67   HD23  LEU   7          HD23      LEU   7  36.234   4.133  13.355
   68    H    LYS   8           HN       LYS   8  36.736   0.625   9.009
   69    HA   LYS   8           HA       LYS   8  35.493  -1.659   7.849
   70    HB2  LYS   8           HB2      LYS   8  36.599   0.289   6.598
   71    HB3  LYS   8           HB1      LYS   8  38.182  -0.352   7.141
   72    HG2  LYS   8           HG2      LYS   8  37.672  -2.504   5.862
   73    HG3  LYS   8           HG1      LYS   8  36.087  -1.807   5.396
   74    HD2  LYS   8           HD2      LYS   8  37.600  -1.583   3.521
   75    HD3  LYS   8           HD1      LYS   8  37.268   0.051   4.187
   76    HE2  LYS   8           HE2      LYS   8  39.665  -0.185   3.559
   77    HE3  LYS   8           HE1      LYS   8  39.526   0.021   5.348
   78    HZ1  LYS   8           HZ1      LYS   8  41.072  -1.693   4.759
   79    HZ2  LYS   8           HZ2      LYS   8  39.887  -2.548   3.893
   80    HZ3  LYS   8           HZ3      LYS   8  39.744  -2.367   5.576
   81    H    GLU   9           HN       GLU   9  36.665  -3.734   7.440
   82    HA   GLU   9           HA       GLU   9  38.104  -4.575   9.795
   83    HB2  GLU   9           HB2      GLU   9  37.912  -6.858   8.760
   84    HB3  GLU   9           HB1      GLU   9  36.338  -6.060   9.066
   85    HG2  GLU   9           HG2      GLU   9  36.081  -5.447   6.692
   86    HG3  GLU   9           HG1      GLU   9  37.735  -6.048   6.314
   87    H    MET  10           HN       MET  10  40.035  -6.162   9.248
   88    HA   MET  10           HA       MET  10  41.723  -4.840   7.218
   89    HB2  MET  10           HB2      MET  10  42.523  -6.042   9.907
   90    HB3  MET  10           HB1      MET  10  43.662  -5.569   8.604
   91    HG2  MET  10           HG2      MET  10  43.720  -3.781  10.104
   92    HG3  MET  10           HG1      MET  10  42.781  -3.231   8.683
   93    HE1  MET  10           HE1      MET  10  41.485  -5.516  11.793
   94    HE2  MET  10           HE2      MET  10  41.046  -4.210  12.940
   95    HE3  MET  10           HE3      MET  10  42.756  -4.411  12.427
   96    HA   PRO  11           HA       PRO  11  41.394  -9.280   6.141
   97    HB2  PRO  11           HB2      PRO  11  41.161  -9.025   3.376
   98    HB3  PRO  11           HB1      PRO  11  39.766  -8.747   4.488
   99    HG2  PRO  11           HG1      PRO  11  41.646  -6.631   3.302
  100    HG3  PRO  11           HG2      PRO  11  39.831  -6.652   3.284
  101    HD2  PRO  11           HD1      PRO  11  41.246  -5.255   5.211
  102    HD3  PRO  11           HD2      PRO  11  39.732  -6.137   5.647
  103    H    GLU  12           HN       GLU  12  43.606  -6.716   5.568
  104    HA   GLU  12           HA       GLU  12  45.853  -8.270   5.377
  105    HB2  GLU  12           HB2      GLU  12  45.279  -8.615   2.931
  106    HB3  GLU  12           HB1      GLU  12  44.993  -6.852   2.755
  107    HG2  GLU  12           HG2      GLU  12  47.434  -6.411   3.235
  108    HG3  GLU  12           HG1      GLU  12  47.703  -8.178   3.471
  109    H    MET  13           HN       MET  13  47.214  -6.833   6.416
  110    HA   MET  13           HA       MET  13  45.980  -4.371   7.145
  111    HB2  MET  13           HB2      MET  13  48.620  -5.647   7.965
  112    HB3  MET  13           HB1      MET  13  47.962  -4.114   8.660
  113    HG2  MET  13           HG2      MET  13  45.897  -5.338   9.365
  114    HG3  MET  13           HG1      MET  13  46.607  -6.873   8.776
  115    HE1  MET  13           HE1      MET  13  46.002  -7.876  11.054
  116    HE2  MET  13           HE2      MET  13  45.367  -6.287  11.604
  117    HE3  MET  13           HE3      MET  13  46.495  -7.216  12.651
  118    H    GLU  14           HN       GLU  14  47.286  -2.343   7.306
  119    HA   GLU  14           HA       GLU  14  48.073  -1.763   4.559
  120    HB2  GLU  14           HB2      GLU  14  47.155   0.456   4.976
  121    HB3  GLU  14           HB1      GLU  14  45.951  -0.797   5.437
  122    HG2  GLU  14           HG2      GLU  14  46.502  -0.490   7.860
  123    HG3  GLU  14           HG1      GLU  14  47.734   0.753   7.442
  124    H    ASP  15           HN       ASP  15  49.101  -1.724   7.885
  125    HA   ASP  15           HA       ASP  15  51.111   0.270   7.450
  126    HB2  ASP  15           HB2      ASP  15  51.845   0.025   9.649
  127    HB3  ASP  15           HB1      ASP  15  50.059   0.113   9.666
  128    H    GLU  16           HN       GLU  16  50.725  -3.183   7.202
  129    HA   GLU  16           HA       GLU  16  53.377  -4.007   6.953
  130    HB2  GLU  16           HB2      GLU  16  51.411  -5.557   7.159
  131    HB3  GLU  16           HB1      GLU  16  50.824  -5.007   5.557
  132    HG2  GLU  16           HG2      GLU  16  52.944  -5.954   4.496
  133    HG3  GLU  16           HG1      GLU  16  53.468  -6.517   6.124
  134    H    PHE  17           HN       PHE  17  50.958  -2.665   4.612
  135    HA   PHE  17           HA       PHE  17  52.646  -2.770   2.364
  136    HB2  PHE  17           HB2      PHE  17  50.161  -2.503   2.179
  137    HB3  PHE  17           HB1      PHE  17  50.252  -0.924   3.008
  138    HD1  PHE  17           HD1      PHE  17  51.309  -2.754  -0.089
  139    HD2  PHE  17           HD2      PHE  17  50.706   1.058   1.783
  140    HE1  PHE  17           HE1      PHE  17  51.577  -1.626  -2.290
  141    HE2  PHE  17           HE2      PHE  17  51.064   2.178  -0.410
  142    HZ   PHE  17           HZ       PHE  17  51.567   0.827  -2.414
  143    H    LEU  18           HN       LEU  18  52.123  -0.256   4.889
  144    HA   LEU  18           HA       LEU  18  53.513   1.759   3.556
  145    HB2  LEU  18           HB2      LEU  18  52.453   1.259   6.338
  146    HB3  LEU  18           HB1      LEU  18  53.513   2.657   6.156
  147    HG   LEU  18           HG       LEU  18  51.036   2.161   4.396
  148   HD11  LEU  18          HD11      LEU  18  51.236   3.926   6.917
  149   HD12  LEU  18          HD12      LEU  18  50.322   2.378   6.765
  150   HD13  LEU  18          HD13      LEU  18  49.823   3.815   5.799
  151   HD21  LEU  18          HD21      LEU  18  52.694   3.713   3.356
  152   HD22  LEU  18          HD22      LEU  18  52.687   4.731   4.843
  153   HD23  LEU  18          HD23      LEU  18  51.199   4.580   3.837
  154    H    GLU  19           HN       GLU  19  54.796  -0.962   5.384
  155    HA   GLU  19           HA       GLU  19  57.305   0.512   5.869
  156    HB2  GLU  19           HB2      GLU  19  56.327  -2.188   6.888
  157    HB3  GLU  19           HB1      GLU  19  57.972  -1.519   7.171
  158    HG2  GLU  19           HG2      GLU  19  55.316  -0.280   8.143
  159    HG3  GLU  19           HG1      GLU  19  56.560  -1.130   9.124
  160    H    TYR  20           HN       TYR  20  55.721  -1.713   3.758
  161    HA   TYR  20           HA       TYR  20  58.078  -3.066   2.790
  162    HB2  TYR  20           HB2      TYR  20  55.111  -2.847   2.005
  163    HB3  TYR  20           HB1      TYR  20  56.207  -3.639   0.908
  164    HD1  TYR  20           HD1      TYR  20  56.637  -4.094   4.623
  165    HD2  TYR  20           HD2      TYR  20  55.358  -5.756   0.884
  166    HE1  TYR  20           HE1      TYR  20  56.469  -6.312   5.677
  167    HE2  TYR  20           HE2      TYR  20  55.164  -7.985   1.930
  168    HH   TYR  20           HH       TYR  20  55.910  -8.482   5.412
  169    H    CYS  21           HN       CYS  21  56.302  -0.184   2.283
  170    HA   CYS  21           HA       CYS  21  56.820   0.091  -0.444
  171    HB2  CYS  21           HB2      CYS  21  56.155   2.281   1.618
  172    HB3  CYS  21           HB1      CYS  21  56.377   2.644  -0.118
  173    HG   CYS  21           HG1      CYS  21  53.894   2.657   0.388
  174    H    ALA  22           HN       ALA  22  58.790   0.534   2.337
  175    HA   ALA  22           HA       ALA  22  60.614   2.480   1.474
  176    HB1  ALA  22           HB1      ALA  22  60.932   0.175   3.493
  177    HB2  ALA  22           HB2      ALA  22  60.278   1.809   3.863
  178    HB3  ALA  22           HB3      ALA  22  62.003   1.628   3.370
  179    H    LYS  23           HN       LYS  23  60.054  -0.758   0.462
  180    HA   LYS  23           HA       LYS  23  62.649  -1.005  -0.834
  181    HB2  LYS  23           HB2      LYS  23  61.584  -3.113   0.116
  182    HB3  LYS  23           HB1      LYS  23  60.178  -2.833  -0.950
  183    HG2  LYS  23           HG2      LYS  23  61.950  -2.881  -2.928
  184    HG3  LYS  23           HG1      LYS  23  63.082  -3.522  -1.696
  185    HD2  LYS  23           HD2      LYS  23  62.177  -5.393  -2.896
  186    HD3  LYS  23           HD1      LYS  23  61.400  -5.413  -1.272
  187    HE2  LYS  23           HE2      LYS  23  59.313  -4.379  -2.278
  188    HE3  LYS  23           HE1      LYS  23  60.133  -4.316  -3.890
  189    HZ1  LYS  23           HZ1      LYS  23  60.298  -6.704  -3.844
  190    HZ2  LYS  23           HZ2      LYS  23  58.687  -6.203  -3.667
  191    HZ3  LYS  23           HZ3      LYS  23  59.551  -6.773  -2.320
  192    H    ASN  24           HN       ASN  24  62.323   0.977  -1.874
  193    HA   ASN  24           HA       ASN  24  60.187   1.594  -3.519
  194    HB2  ASN  24           HB2      ASN  24  63.056   2.684  -3.645
  195    HB3  ASN  24           HB1      ASN  24  61.636   3.399  -4.477
  196   HD21  ASN  24          HD21      ASN  24  60.054   4.580  -1.407
  197   HD22  ASN  24          HD22      ASN  24  59.687   3.909  -2.961
  198    HA   PRO  25           HA       PRO  25  62.640  -0.090  -7.270
  199    HB2  PRO  25           HB2      PRO  25  64.274  -2.382  -6.642
  200    HB3  PRO  25           HB1      PRO  25  64.892  -0.718  -7.029
  201    HG2  PRO  25           HG1      PRO  25  64.356  -1.964  -4.287
  202    HG3  PRO  25           HG2      PRO  25  65.782  -0.973  -4.813
  203    HD2  PRO  25           HD1      PRO  25  63.770   0.181  -3.380
  204    HD3  PRO  25           HD2      PRO  25  64.427   1.065  -4.827
  205    H    SER  26           HN       SER  26  61.548  -1.647  -8.487
  206    HA   SER  26           HA       SER  26  60.065  -3.118  -8.951
  207    HB2  SER  26           HB2      SER  26  61.348  -4.678  -6.649
  208    HB3  SER  26           HB1      SER  26  60.070  -5.375  -7.742
  209    HG   SER  26           HG1      SER  26  62.672  -4.469  -8.336
  210    H    TYR  27           HN       TYR  27  58.854  -1.180  -8.192
  211    HA   TYR  27           HA       TYR  27  57.402  -1.282  -5.784
  212    HB2  TYR  27           HB2      TYR  27  56.332   0.684  -6.482
  213    HB3  TYR  27           HB1      TYR  27  58.017   0.846  -7.102
  214    HD1  TYR  27           HD1      TYR  27  54.864   1.768  -7.831
  215    HD2  TYR  27           HD2      TYR  27  58.000  -0.487  -9.725
  216    HE1  TYR  27           HE1      TYR  27  53.785   2.099 -10.006
  217    HE2  TYR  27           HE2      TYR  27  56.970  -0.086 -11.917
  218    HH   TYR  27           HH       TYR  27  55.229   0.793 -13.040
  219    H    GLU  28           HN       GLU  28  57.112  -2.537  -8.921
  220    HA   GLU  28           HA       GLU  28  54.424  -2.976  -9.277
  221    HB2  GLU  28           HB2      GLU  28  55.391  -4.926 -10.797
  222    HB3  GLU  28           HB1      GLU  28  55.711  -3.214 -11.213
  223    HG2  GLU  28           HG2      GLU  28  57.958  -3.249 -10.296
  224    HG3  GLU  28           HG1      GLU  28  57.757  -4.897  -9.613
  225    H    GLU  29           HN       GLU  29  56.910  -4.823  -7.436
  226    HA   GLU  29           HA       GLU  29  55.229  -7.089  -7.077
  227    HB2  GLU  29           HB2      GLU  29  57.731  -6.156  -5.582
  228    HB3  GLU  29           HB1      GLU  29  56.898  -7.730  -5.300
  229    HG2  GLU  29           HG2      GLU  29  57.266  -8.380  -7.686
  230    HG3  GLU  29           HG1      GLU  29  58.141  -6.839  -7.988
  231    H    ALA  30           HN       ALA  30  55.742  -4.001  -5.326
  232    HA   ALA  30           HA       ALA  30  54.325  -4.895  -3.004
  233    HB1  ALA  30           HB1      ALA  30  55.081  -2.046  -3.911
  234    HB2  ALA  30           HB2      ALA  30  56.066  -3.098  -2.833
  235    HB3  ALA  30           HB3      ALA  30  54.461  -2.502  -2.278
  236    H    TYR  31           HN       TYR  31  53.438  -3.610  -6.153
  237    HA   TYR  31           HA       TYR  31  50.831  -2.691  -5.320
  238    HB2  TYR  31           HB2      TYR  31  51.801  -1.566  -7.281
  239    HB3  TYR  31           HB1      TYR  31  52.366  -3.086  -7.925
  240    HD1  TYR  31           HD1      TYR  31  48.896  -2.205  -6.775
  241    HD2  TYR  31           HD2      TYR  31  51.447  -3.090 -10.098
  242    HE1  TYR  31           HE1      TYR  31  46.906  -2.506  -8.193
  243    HE2  TYR  31           HE2      TYR  31  49.473  -3.288 -11.566
  244    HH   TYR  31           HH       TYR  31  46.135  -2.934 -10.271
  245    H    LEU  32           HN       LEU  32  52.129  -5.363  -7.342
  246    HA   LEU  32           HA       LEU  32  49.636  -6.481  -7.769
  247    HB2  LEU  32           HB2      LEU  32  52.484  -7.551  -8.095
  248    HB3  LEU  32           HB1      LEU  32  51.049  -8.402  -8.743
  249    HG   LEU  32           HG       LEU  32  51.746  -5.477  -9.457
  250   HD11  LEU  32          HD11      LEU  32  52.532  -8.025 -11.027
  251   HD12  LEU  32          HD12      LEU  32  53.663  -6.968 -10.104
  252   HD13  LEU  32          HD13      LEU  32  52.799  -6.317 -11.546
  253   HD21  LEU  32          HD21      LEU  32  49.387  -6.106  -9.931
  254   HD22  LEU  32          HD22      LEU  32  49.936  -7.547 -10.868
  255   HD23  LEU  32          HD23      LEU  32  50.310  -5.885 -11.460
  256    H    LYS  33           HN       LYS  33  51.957  -7.107  -5.207
  257    HA   LYS  33           HA       LYS  33  50.996  -9.659  -4.440
  258    HB2  LYS  33           HB2      LYS  33  53.250  -8.762  -3.710
  259    HB3  LYS  33           HB1      LYS  33  52.428  -7.503  -2.773
  260    HG2  LYS  33           HG2      LYS  33  51.370 -10.115  -1.947
  261    HG3  LYS  33           HG1      LYS  33  53.161 -10.193  -1.969
  262    HD2  LYS  33           HD2      LYS  33  53.332  -8.223  -0.513
  263    HD3  LYS  33           HD1      LYS  33  51.551  -7.950  -0.637
  264    HE2  LYS  33           HE2      LYS  33  51.031  -9.920   0.655
  265    HE3  LYS  33           HE1      LYS  33  52.775 -10.440   0.711
  266    HZ1  LYS  33           HZ1      LYS  33  51.619  -7.960   1.879
  267    HZ2  LYS  33           HZ2      LYS  33  53.249  -8.431   1.946
  268    HZ3  LYS  33           HZ3      LYS  33  52.062  -9.362   2.726
  269    H    PHE  34           HN       PHE  34  50.397  -6.295  -3.321
  270    HA   PHE  34           HA       PHE  34  48.492  -7.081  -1.344
  271    HB2  PHE  34           HB2      PHE  34  49.539  -4.388  -2.417
  272    HB3  PHE  34           HB1      PHE  34  48.213  -4.468  -1.210
  273    HD1  PHE  34           HD1      PHE  34  48.700  -4.904   1.114
  274    HD2  PHE  34           HD2      PHE  34  51.755  -5.445  -1.849
  275    HE1  PHE  34           HE1      PHE  34  50.405  -5.126   2.895
  276    HE2  PHE  34           HE2      PHE  34  53.435  -5.690  -0.102
  277    HZ   PHE  34           HZ       PHE  34  52.805  -5.447   2.287
  278    H    GLY  35           HN       GLY  35  47.984  -4.438  -3.676
  279    HA2  GLY  35           HA2      GLY  35  46.963  -5.580  -5.758
  280    HA3  GLY  35           HA1      GLY  35  45.507  -5.513  -4.674
  281    H    ASP  36           HN       ASP  36  44.313  -3.741  -4.973
  282    HA   ASP  36           HA       ASP  36  45.308  -1.498  -6.347
  283    HB2  ASP  36           HB2      ASP  36  42.685  -1.788  -4.784
  284    HB3  ASP  36           HB1      ASP  36  43.047  -0.526  -6.022
  285    H    LYS  37           HN       LYS  37  45.986  -2.351  -3.273
  286    HA   LYS  37           HA       LYS  37  45.618  -0.207  -1.622
  287    HB2  LYS  37           HB2      LYS  37  46.395  -2.587  -1.083
  288    HB3  LYS  37           HB1      LYS  37  47.986  -2.114  -1.731
  289    HG2  LYS  37           HG2      LYS  37  48.401  -1.765   0.459
  290    HG3  LYS  37           HG1      LYS  37  47.749  -0.131   0.136
  291    HD2  LYS  37           HD2      LYS  37  46.287  -2.574   1.355
  292    HD3  LYS  37           HD1      LYS  37  46.921  -1.164   2.263
  293    HE2  LYS  37           HE2      LYS  37  44.583  -1.103   0.229
  294    HE3  LYS  37           HE1      LYS  37  44.458  -1.017   2.029
  295    HZ1  LYS  37           HZ1      LYS  37  45.698   1.031   1.977
  296    HZ2  LYS  37           HZ2      LYS  37  44.316   1.132   0.993
  297    HZ3  LYS  37           HZ3      LYS  37  45.848   0.947   0.287
  298    H    LEU  38           HN       LEU  38  48.228  -0.896  -4.012
  299    HA   LEU  38           HA       LEU  38  49.749   1.424  -3.242
  300    HB2  LEU  38           HB2      LEU  38  50.837  -0.733  -4.208
  301    HB3  LEU  38           HB1      LEU  38  50.043  -0.411  -5.705
  302    HG   LEU  38           HG       LEU  38  51.702   1.862  -4.605
  303   HD11  LEU  38          HD11      LEU  38  53.070  -0.700  -5.620
  304   HD12  LEU  38          HD12      LEU  38  53.109  -0.072  -3.934
  305   HD13  LEU  38          HD13      LEU  38  53.875   0.872  -5.265
  306   HD21  LEU  38          HD21      LEU  38  50.671   2.019  -6.864
  307   HD22  LEU  38          HD22      LEU  38  51.551   0.532  -7.387
  308   HD23  LEU  38          HD23      LEU  38  52.472   2.034  -6.987
  309    H    LEU  39           HN       LEU  39  47.264   0.694  -5.707
  310    HA   LEU  39           HA       LEU  39  47.803   2.948  -7.279
  311    HB2  LEU  39           HB2      LEU  39  45.143   1.478  -6.888
  312    HB3  LEU  39           HB1      LEU  39  45.524   2.636  -8.204
  313    HG   LEU  39           HG       LEU  39  46.826  -0.104  -7.699
  314   HD11  LEU  39          HD11      LEU  39  45.000   0.901  -9.968
  315   HD12  LEU  39          HD12      LEU  39  44.500  -0.162  -8.600
  316   HD13  LEU  39          HD13      LEU  39  45.697  -0.758  -9.814
  317   HD21  LEU  39          HD21      LEU  39  48.575   1.367  -8.653
  318   HD22  LEU  39          HD22      LEU  39  47.442   1.928  -9.943
  319   HD23  LEU  39          HD23      LEU  39  47.999   0.213  -9.902
  320    H    GLU  40           HN       GLU  40  45.481   2.412  -4.579
  321    HA   GLU  40           HA       GLU  40  44.342   4.988  -4.768
  322    HB2  GLU  40           HB2      GLU  40  43.308   4.470  -2.571
  323    HB3  GLU  40           HB1      GLU  40  43.047   3.159  -3.783
  324    HG2  GLU  40           HG2      GLU  40  44.985   1.903  -2.684
  325    HG3  GLU  40           HG1      GLU  40  45.070   3.171  -1.443
  326    H    TYR  41           HN       TYR  41  47.081   3.667  -2.862
  327    HA   TYR  41           HA       TYR  41  47.200   5.936  -1.123
  328    HB2  TYR  41           HB2      TYR  41  48.853   3.415  -1.633
  329    HB3  TYR  41           HB1      TYR  41  49.668   4.749  -0.821
  330    HD1  TYR  41           HD1      TYR  41  49.986   3.326   1.119
  331    HD2  TYR  41           HD2      TYR  41  45.993   4.470  -0.063
  332    HE1  TYR  41           HE1      TYR  41  49.117   2.631   3.308
  333    HE2  TYR  41           HE2      TYR  41  45.165   3.839   2.123
  334    HH   TYR  41           HH       TYR  41  47.310   2.484   4.657
  335    H    GLU  42           HN       GLU  42  48.312   5.202  -4.306
  336    HA   GLU  42           HA       GLU  42  50.393   7.142  -4.407
  337    HB2  GLU  42           HB2      GLU  42  50.042   5.147  -5.989
  338    HB3  GLU  42           HB1      GLU  42  48.758   6.080  -6.798
  339    HG2  GLU  42           HG2      GLU  42  51.725   6.918  -6.485
  340    HG3  GLU  42           HG1      GLU  42  51.042   6.078  -7.921
  341    H    LEU  43           HN       LEU  43  46.974   6.992  -5.442
  342    HA   LEU  43           HA       LEU  43  46.756   9.634  -6.356
  343    HB2  LEU  43           HB2      LEU  43  44.744   7.492  -5.463
  344    HB3  LEU  43           HB1      LEU  43  44.217   9.028  -6.208
  345    HG   LEU  43           HG       LEU  43  46.094   7.000  -7.562
  346   HD11  LEU  43          HD11      LEU  43  43.059   7.374  -7.945
  347   HD12  LEU  43          HD12      LEU  43  43.871   5.978  -7.140
  348   HD13  LEU  43          HD13      LEU  43  44.132   6.280  -8.899
  349   HD21  LEU  43          HD21      LEU  43  45.529   8.215  -9.669
  350   HD22  LEU  43          HD22      LEU  43  46.368   9.284  -8.491
  351   HD23  LEU  43          HD23      LEU  43  44.583   9.425  -8.724
  352    H    LEU  44           HN       LEU  44  46.645   8.231  -3.156
  353    HA   LEU  44           HA       LEU  44  45.003  10.235  -1.966
  354    HB2  LEU  44           HB2      LEU  44  44.898   7.966  -1.143
  355    HB3  LEU  44           HB1      LEU  44  46.671   7.935  -0.921
  356    HG   LEU  44           HG       LEU  44  46.543   9.471   0.955
  357   HD11  LEU  44          HD11      LEU  44  43.483   9.541   0.492
  358   HD12  LEU  44          HD12      LEU  44  44.622  10.924   0.283
  359   HD13  LEU  44          HD13      LEU  44  44.343  10.231   1.920
  360   HD21  LEU  44          HD21      LEU  44  46.287   7.051   1.385
  361   HD22  LEU  44          HD22      LEU  44  44.496   7.185   1.216
  362   HD23  LEU  44          HD23      LEU  44  45.337   8.019   2.576
  363    H    GLY  45           HN       GLY  45  48.351   9.173  -1.005
  364    HA2  GLY  45           HA2      GLY  45  49.971  10.724  -2.107
  365    HA3  GLY  45           HA1      GLY  45  49.207  11.974  -1.040
  366    H    LYS  46           HN       LYS  46  49.673   8.533  -0.239
  367    HA   LYS  46           HA       LYS  46  51.264   9.238   2.081
  368    HB2  LYS  46           HB2      LYS  46  50.076   6.628   1.077
  369    HB3  LYS  46           HB1      LYS  46  51.183   6.740   2.497
  370    HG2  LYS  46           HG2      LYS  46  49.657   8.423   3.545
  371    HG3  LYS  46           HG1      LYS  46  48.476   8.191   2.209
  372    HD2  LYS  46           HD2      LYS  46  48.121   5.858   2.857
  373    HD3  LYS  46           HD1      LYS  46  49.487   5.923   4.033
  374    HE2  LYS  46           HE2      LYS  46  48.271   7.639   5.387
  375    HE3  LYS  46           HE1      LYS  46  46.870   7.557   4.244
  376    HZ1  LYS  46           HZ1      LYS  46  47.939   5.312   5.880
  377    HZ2  LYS  46           HZ2      LYS  46  46.637   5.220   4.795
  378    HZ3  LYS  46           HZ3      LYS  46  46.522   6.198   6.178
  379    H    ILE  47           HN       ILE  47  51.372   7.282  -0.908
  380    HA   ILE  47           HA       ILE  47  54.310   7.496  -1.053
  381    HB   ILE  47           HB       ILE  47  54.105   5.748  -2.787
  382   HG12  ILE  47          HG12      ILE  47  51.426   4.898  -1.738
  383   HG13  ILE  47          HG11      ILE  47  51.359   6.377  -2.717
  384   HG21  ILE  47          HG21      ILE  47  53.094   4.974   0.027
  385   HG22  ILE  47          HG22      ILE  47  54.815   5.250  -0.450
  386   HG23  ILE  47          HG23      ILE  47  53.880   3.895  -1.184
  387   HD11  ILE  47           HD1      ILE  47  52.587   3.761  -3.542
  388   HD12  ILE  47           HD2      ILE  47  52.573   5.230  -4.588
  389   HD13  ILE  47           HD3      ILE  47  51.028   4.400  -4.140
  390    H    LYS  48           HN       LYS  48  54.872   7.661  -3.559
  391    HA   LYS  48           HA       LYS  48  52.721   8.660  -5.156
  392    HB2  LYS  48           HB2      LYS  48  55.460  10.112  -4.925
  393    HB3  LYS  48           HB1      LYS  48  54.228  10.532  -6.156
  394    HG2  LYS  48           HG2      LYS  48  52.899  11.711  -4.633
  395    HG3  LYS  48           HG1      LYS  48  53.468  10.782  -3.214
  396    HD2  LYS  48           HD2      LYS  48  54.300  13.055  -3.076
  397    HD3  LYS  48           HD1      LYS  48  55.619  11.842  -3.167
  398    HE2  LYS  48           HE2      LYS  48  56.162  13.864  -4.490
  399    HE3  LYS  48           HE1      LYS  48  56.030  12.424  -5.574
  400    HZ1  LYS  48           HZ1      LYS  48  54.933  14.337  -6.490
  401    HZ2  LYS  48           HZ2      LYS  48  53.930  14.485  -5.127
  402    HZ3  LYS  48           HZ3      LYS  48  53.795  13.126  -6.137
  403    H    ARG  49           HN       ARG  49  53.523   8.689  -7.511
  404    HA   ARG  49           HA       ARG  49  55.926   7.184  -8.014
  405    HB2  ARG  49           HB2      ARG  49  54.288   5.340  -7.702
  406    HB3  ARG  49           HB1      ARG  49  53.216   6.053  -8.947
  407    HG2  ARG  49           HG2      ARG  49  56.142   5.412  -9.634
  408    HG3  ARG  49           HG1      ARG  49  54.961   4.079  -9.447
  409    HD2  ARG  49           HD2      ARG  49  53.507   5.032 -11.236
  410    HD3  ARG  49           HD1      ARG  49  54.646   6.425 -11.433
  411    HE   ARG  49           HE       ARG  49  55.635   3.588 -11.760
  412   HH11  ARG  49          HH11      ARG  49  56.586   3.074 -13.809
  413   HH12  ARG  49          HH12      ARG  49  56.611   4.247 -15.083
  414   HH21  ARG  49          HH21      ARG  49  54.966   6.790 -13.231
  415   HH22  ARG  49          HH22      ARG  49  55.688   6.379 -14.750
  416    H    ILE  50           HN       ILE  50  56.774   8.052  -9.935
  417    HA   ILE  50           HA       ILE  50  55.030   9.239 -11.845
  418    HB   ILE  50           HB       ILE  50  55.036  11.072 -10.249
  419   HG12  ILE  50          HG12      ILE  50  56.003  12.911 -11.588
  420   HG13  ILE  50          HG11      ILE  50  56.862  11.743 -12.638
  421   HG21  ILE  50          HG21      ILE  50  58.117  11.021 -10.372
  422   HG22  ILE  50          HG22      ILE  50  57.103  10.463  -8.986
  423   HG23  ILE  50          HG23      ILE  50  57.084  12.190  -9.481
  424   HD11  ILE  50           HD1      ILE  50  54.726  12.597 -13.667
  425   HD12  ILE  50           HD2      ILE  50  53.788  11.918 -12.285
  426   HD13  ILE  50           HD3      ILE  50  54.657  10.816 -13.419
  427    H    ASN  51           HN       ASN  51  58.251   8.482 -10.546
  428    HA   ASN  51           HA       ASN  51  59.606   9.182 -12.927
  429    HB2  ASN  51           HB2      ASN  51  60.622   9.365 -10.650
  430    HB3  ASN  51           HB1      ASN  51  60.550   7.589 -10.455
  431   HD21  ASN  51          HD21      ASN  51  63.730   7.177 -11.980
  432   HD22  ASN  51          HD22      ASN  51  62.523   6.621 -10.868
  433    H    HIS  52           HN       HIS  52  59.891   5.990 -11.306
  434    HA   HIS  52           HA       HIS  52  59.035   4.603 -13.715
  435    HB2  HIS  52           HB2      HIS  52  61.526   4.935 -14.017
  436    HB3  HIS  52           HB1      HIS  52  61.801   4.268 -12.375
  437    HD1  HIS  52           HD1      HIS  52  60.074   3.094 -15.609
  438    HD2  HIS  52           HD2      HIS  52  62.367   1.562 -12.444
  439    HE1  HIS  52           HE1      HIS  52  60.452   0.632 -16.074
  440    HE2  HIS  52           HE2      HIS  52  61.828  -0.254 -14.140
  441    H    ILE  53           HN       ILE  53  59.989   4.880 -10.329
  442    HA   ILE  53           HA       ILE  53  58.524   2.445  -9.631
  443    HB   ILE  53           HB       ILE  53  60.148   2.102  -7.795
  444   HG12  ILE  53          HG12      ILE  53  62.018   3.949  -9.422
  445   HG13  ILE  53          HG11      ILE  53  61.130   4.484  -7.951
  446   HG21  ILE  53          HG21      ILE  53  61.253   1.817 -10.658
  447   HG22  ILE  53          HG22      ILE  53  60.071   0.711  -9.861
  448   HG23  ILE  53          HG23      ILE  53  61.739   0.858  -9.213
  449   HD11  ILE  53           HD1      ILE  53  62.135   2.598  -6.666
  450   HD12  ILE  53           HD2      ILE  53  63.354   3.807  -7.241
  451   HD13  ILE  53           HD3      ILE  53  63.203   2.209  -8.070
  452    H    VAL  54           HN       VAL  54  58.246   2.624  -7.091
  453    HA   VAL  54           HA       VAL  54  56.765   5.015  -6.677
  454    HB   VAL  54           HB       VAL  54  56.065   2.690  -6.005
  455   HG11  VAL  54          HG11      VAL  54  58.068   3.044  -3.672
  456   HG12  VAL  54          HG12      VAL  54  58.319   1.947  -5.081
  457   HG13  VAL  54          HG13      VAL  54  56.944   1.672  -3.953
  458   HG21  VAL  54          HG21      VAL  54  54.894   4.649  -5.121
  459   HG22  VAL  54          HG22      VAL  54  56.076   4.786  -3.758
  460   HG23  VAL  54          HG23      VAL  54  55.002   3.351  -3.883
  461    H    VAL  55           HN       VAL  55  57.178   6.583  -5.032
  462    HA   VAL  55           HA       VAL  55  59.768   6.429  -3.674
  463    HB   VAL  55           HB       VAL  55  59.877   8.911  -3.700
  464   HG11  VAL  55          HG11      VAL  55  59.886   7.588  -6.497
  465   HG12  VAL  55          HG12      VAL  55  61.214   7.497  -5.279
  466   HG13  VAL  55          HG13      VAL  55  60.766   9.083  -6.011
  467   HG21  VAL  55          HG21      VAL  55  57.458   9.416  -4.142
  468   HG22  VAL  55          HG22      VAL  55  57.596   8.700  -5.794
  469   HG23  VAL  55          HG23      VAL  55  58.518  10.185  -5.371
  470    H    LEU  56           HN       LEU  56  59.620   7.433  -1.510
  471    HA   LEU  56           HA       LEU  56  56.923   7.227  -0.408
  472    HB2  LEU  56           HB2      LEU  56  59.645   7.824   0.882
  473    HB3  LEU  56           HB1      LEU  56  58.098   7.729   1.787
  474    HG   LEU  56           HG       LEU  56  59.246   5.369   0.181
  475   HD11  LEU  56          HD11      LEU  56  59.608   6.019   3.176
  476   HD12  LEU  56          HD12      LEU  56  60.896   6.043   1.913
  477   HD13  LEU  56          HD13      LEU  56  60.099   4.488   2.360
  478   HD21  LEU  56          HD21      LEU  56  56.835   5.130   0.650
  479   HD22  LEU  56          HD22      LEU  56  57.109   5.503   2.395
  480   HD23  LEU  56          HD23      LEU  56  57.793   3.998   1.681
  481    H    ALA  57           HN       ALA  57  55.933   9.085   0.632
  482    HA   ALA  57           HA       ALA  57  56.722  11.631  -0.518
  483    HB1  ALA  57           HB1      ALA  57  54.394  10.898   1.370
  484    HB2  ALA  57           HB2      ALA  57  54.295  11.101  -0.412
  485    HB3  ALA  57           HB3      ALA  57  54.684  12.517   0.628
  486    H    HIS  58           HN       HIS  58  55.795  10.514   2.793
  487    HA   HIS  58           HA       HIS  58  58.200  11.797   3.902
  488    HB2  HIS  58           HB2      HIS  58  56.139  12.693   4.949
  489    HB3  HIS  58           HB1      HIS  58  55.524  11.037   5.229
  490    HD1  HIS  58           HD1      HIS  58  58.656  13.061   6.185
  491    HD2  HIS  58           HD2      HIS  58  56.109  10.127   7.774
  492    HE1  HIS  58           HE1      HIS  58  59.438  12.583   8.548
  493    HE2  HIS  58           HE2      HIS  58  57.882  10.805   9.466
  494    H    HIS  59           HN       HIS  59  56.150   9.226   5.297
  495    HA   HIS  59           HA       HIS  59  57.661   7.142   4.075
  496    HB2  HIS  59           HB2      HIS  59  59.098   7.619   6.115
  497    HB3  HIS  59           HB1      HIS  59  57.668   7.327   7.158
  498    HD1  HIS  59           HD1      HIS  59  56.649   4.747   6.825
  499    HD2  HIS  59           HD2      HIS  59  60.547   5.387   5.406
  500    HE1  HIS  59           HE1      HIS  59  57.718   2.473   6.509
  501    HE2  HIS  59           HE2      HIS  59  60.059   2.902   5.645