*HEADER    ANTIMICROBIAL PROTEIN                   12-NOV-15   2N9A              
*TITLE     3D STRUCTURE OF DECORALIN-NH2 BY SOLUTION NMR                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DECORALIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: OREUMENES DECORATUS;                            
*SOURCE   4 ORGANISM_COMMON: POTTER WASP;                                        
*SOURCE   5 ORGANISM_TAXID: 531920                                               
*KEYWDS    ANTIMICROBIAL PEPTIDES, LEISHMANICIDAL ACTIVITY, MEMBRANE TARGETING   
*KEYWDS   2 PEPTIDES, ANTIMICROBIAL PROTEIN                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    V.FADEL, M.P.S.CABRERA                                                
*REVDAT   1   16-NOV-16 2N9A    0                                                


! Distance constraint file from UNIO
! UNIO version 2.0.3
! File format   : cns
! File generated: 2015 November  7th, 22:17:48

assign  ((resid    7 and name HA   )) ((resid   11 and name HN   ))   5.04  3.24  0.00 ! #SUP  6.22
assign  ((resid   10 and name HG12 )) ((resid   11 and name HN   ))   4.93  3.13  0.00 ! #SUP  7.25
assign  ((resid   10 and name HB   )) ((resid   11 and name HN   ))   4.53  2.73  0.00 ! #SUP  8.14
assign  ((resid   11 and name HN   )) ((resid   11 and name HG2* ))   4.05  2.25  0.00 ! #SUP  8.74
assign  ((resid   11 and name HN   )) ((resid   10 and name HD1* ))   5.49  3.69  0.00 ! #SUP  7.25
assign  ((resid   11 and name HN   )) ((resid   10 and name HN   ))   3.46  1.66  0.00 ! #SUP  7.88
assign  ((resid   11 and name HN   )) ((resid   10 and name HG11 ))   5.28  3.48  0.00 ! #SUP  7.31
assign  ((resid   11 and name HN   )) ((resid   12 and name HD1  ))   4.41  2.61  0.00 ! #SUP  4.97
assign  ((resid   11 and name HN   )) ((resid   10 and name HA   ))   3.92  2.12  0.00 ! #SUP  9.89
assign  ((resid   11 and name HN   )) ((resid   12 and name HD2  ))   3.79  1.99  0.00 ! #SUP  4.97
assign  ((resid   11 and name HN   )) ((resid    7 and name HB*  ))   5.46  3.66  0.00 ! #SUP  0.75
assign  ((resid   11 and name HN   )) ((resid   10 and name HG2* ))   4.87  3.07  0.00 ! #SUP  7.25
assign  ((resid    5 and name HN   )) ((resid    5 and name HD*  ))   5.06  3.26  0.00 ! #SUP  6.94
assign  ((resid    5 and name HD*  )) ((resid    5 and name HB1  ))   3.76  1.96  0.00 ! #SUP  4.96
assign  ((resid    2 and name HA   )) ((resid    5 and name HD*  ))   4.81  3.01  0.00 ! #SUP  4.79
assign  ((resid    5 and name HA   )) ((resid    5 and name HD*  ))   3.91  2.11  0.00 ! #SUP  4.55
assign  ((resid   10 and name HD1* )) ((resid   10 and name HN   ))   5.03  3.23  0.00 ! #SUP  7.61
assign  ((resid    7 and name HA   )) ((resid   10 and name HN   ))   4.16  2.36  0.00 ! #SUP  5.99
assign  ((resid    7 and name HA   )) ((resid    6 and name HG2* ))   4.59  2.79  0.00 ! #SUP  5.78
assign  ((resid    7 and name HA   )) ((resid    7 and name HD*  ))   4.24  2.44  0.00 ! #SUP  6.51
assign  ((resid    7 and name HA   )) ((resid    7 and name HB*  ))   3.17  1.37  0.00 ! #SUP  5.73
assign  ((resid    7 and name HA   )) ((resid   10 and name HG12 ))   4.01  2.21  0.00 ! #SUP  5.69
assign  ((resid    9 and name HA   )) ((resid    9 and name HD*  ))   3.52  1.72  0.00 ! #SUP  4.44
assign  ((resid    9 and name HA   )) ((resid    9 and name HB1  ))   3.59  1.79  0.00 ! #SUP  5.00
assign  ((resid    4 and name HA   )) ((resid    7 and name HD*  ))   4.71  2.91  0.00 ! #SUP  2.08
assign  ((resid    9 and name HA   )) ((resid    9 and name HB2  ))   3.91  2.11  0.00 ! #SUP  5.28
assign  ((resid    8 and name HD*  )) ((resid    8 and name HA   ))   5.35  3.55  0.00 ! #SUP  3.46
assign  ((resid    2 and name HA   )) ((resid    5 and name HN   ))   4.29  2.49  0.00 ! #SUP  8.05
assign  ((resid    2 and name HA   )) ((resid    2 and name HD*  ))   3.89  2.09  0.00 ! #SUP  2.44
assign  ((resid    2 and name HA   )) ((resid    5 and name HB2  ))   4.10  2.30  0.00 ! #SUP  4.14
assign  ((resid    2 and name HA   )) ((resid    6 and name HN   ))   5.18  3.38  0.00 ! #SUP  4.74
assign  ((resid    2 and name HA   )) ((resid    2 and name HB*  ))   3.85  2.05  0.00 ! #SUP  1.81
assign  ((resid    1 and name HA   )) ((resid    1 and name HB*  ))   3.17  1.37  0.00 ! #SUP  1.00
assign  ((resid    6 and name HG11 )) ((resid    7 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.96
assign  ((resid    6 and name HG11 )) ((resid    6 and name HD1* ))   3.96  2.16  0.00 ! #SUP  6.70
assign  ((resid    6 and name HG11 )) ((resid    6 and name HN   ))   4.07  2.27  0.00 ! #SUP  7.06
assign  ((resid    3 and name HB*  )) ((resid    5 and name HN   ))   4.66  2.86  0.00 ! #SUP  6.95
assign  ((resid    3 and name HB*  )) ((resid    6 and name HN   ))   5.27  3.47  0.00 ! #SUP  3.64
assign  ((resid    3 and name HB*  )) ((resid    3 and name HD*  ))   3.70  1.90  0.00 ! #SUP  2.82
assign  ((resid   12 and name HD1  )) ((resid   11 and name HG2* ))   5.50  3.70  0.00 ! #SUP  4.97
assign  ((resid   12 and name HD1  )) ((resid    7 and name HE   ))   3.51  1.71  0.00 ! #SUP  1.32
assign  ((resid    4 and name HN   )) ((resid    5 and name HN   ))   3.28  1.48  0.00 ! #SUP  8.65
assign  ((resid    3 and name HN   )) ((resid    2 and name HD*  ))   5.50  3.70  0.00 ! #SUP  2.65
assign  ((resid   11 and name HB   )) ((resid   12 and name HD2  ))   5.22  3.42  0.00 ! #SUP  4.20
assign  ((resid    5 and name HB1  )) ((resid    5 and name HN   ))   3.50  1.70  0.00 ! #SUP  6.92
assign  ((resid    5 and name HN   )) ((resid    9 and name HD*  ))   5.50  3.70  0.00 ! #SUP  0.75
assign  ((resid    5 and name HN   )) ((resid    7 and name HN   ))   4.53  2.73  0.00 ! #SUP  7.23
assign  ((resid    5 and name HN   )) ((resid    6 and name HD1* ))   5.50  3.70  0.00 ! #SUP  7.43
assign  ((resid    5 and name HN   )) ((resid    2 and name HD*  ))   5.50  3.70  0.00 ! #SUP  5.33
assign  ((resid    5 and name HN   )) ((resid    3 and name HA   ))   5.00  3.20  0.00 ! #SUP  9.32
assign  ((resid    5 and name HN   )) ((resid    6 and name HN   ))   3.30  1.50  0.00 ! #SUP  7.88
assign  ((resid    5 and name HN   )) ((resid    7 and name HB*  ))   5.50  3.70  0.00 ! #SUP  3.37
assign  ((resid    5 and name HN   )) ((resid    3 and name HD*  ))   5.45  3.65  0.00 ! #SUP  4.72
assign  ((resid    8 and name HA   )) ((resid    8 and name HB2  ))   3.60  1.80  0.00 ! #SUP  4.97
assign  ((resid    8 and name HA   )) ((resid    8 and name HB1  ))   3.67  1.87  0.00 ! #SUP  4.26
assign  ((resid   10 and name HN   )) ((resid    6 and name HA   ))   4.94  3.14  0.00 ! #SUP  3.92
assign  ((resid   10 and name HN   )) ((resid   11 and name HG2* ))   5.43  3.63  0.00 ! #SUP  5.66
assign  ((resid   10 and name HN   )) ((resid    9 and name HB1  ))   4.29  2.49  0.00 ! #SUP  5.86
assign  ((resid   10 and name HN   )) ((resid   10 and name HG2* ))   4.05  2.25  0.00 ! #SUP  7.61
assign  ((resid    6 and name HA   )) ((resid    9 and name HD*  ))   4.15  2.35  0.00 ! #SUP  4.90
assign  ((resid    6 and name HA   )) ((resid    6 and name HG11 ))   3.87  2.07  0.00 ! #SUP  7.03
assign  ((resid    6 and name HA   )) ((resid    5 and name HN   ))   5.48  3.68  0.00 ! #SUP  7.00
assign  ((resid    6 and name HA   )) ((resid    6 and name HD1* ))   4.36  2.56  0.00 ! #SUP  7.58
assign  ((resid    6 and name HA   )) ((resid    9 and name HG   ))   4.76  2.96  0.00 ! #SUP  3.10
assign  ((resid    6 and name HA   )) ((resid    6 and name HG2* ))   3.60  1.80  0.00 ! #SUP  7.69
assign  ((resid    6 and name HA   )) ((resid    9 and name HN   ))   3.91  2.11  0.00 ! #SUP  4.40
assign  ((resid   10 and name HG12 )) ((resid   10 and name HD1* ))   3.75  1.95  0.00 ! #SUP  6.11
assign  ((resid   10 and name HG12 )) ((resid   10 and name HN   ))   3.90  2.10  0.00 ! #SUP  7.68
assign  ((resid   10 and name HG12 )) ((resid   10 and name HG11 ))   3.07  1.27  0.00 ! #SUP  6.16
assign  ((resid    7 and name HN   )) ((resid    6 and name HG2* ))   4.42  2.62  0.00 ! #SUP  9.56
assign  ((resid    7 and name HN   )) ((resid    7 and name HD*  ))   5.41  3.61  0.00 ! #SUP  8.24
assign  ((resid    7 and name HN   )) ((resid    7 and name HG2  ))   4.26  2.46  0.00 ! #SUP  6.29
assign  ((resid    7 and name HN   )) ((resid    7 and name HG1  ))   4.65  2.85  0.00 ! #SUP  7.23
assign  ((resid    6 and name HD1* )) ((resid    3 and name HN   ))   5.50  3.70  0.00 ! #SUP  2.99
assign  ((resid    6 and name HD1* )) ((resid    7 and name HN   ))   5.45  3.65  0.00 ! #SUP  8.63
assign  ((resid    9 and name HG   )) ((resid    9 and name HD*  ))   3.60  1.80  0.00 ! #SUP  4.00
assign  ((resid    9 and name HG   )) ((resid    9 and name HN   ))   3.61  1.81  0.00 ! #SUP  5.47
assign  ((resid    2 and name HD*  )) ((resid    5 and name HB2  ))   5.25  3.45  0.00 ! #SUP  2.56
assign  ((resid    3 and name HA   )) ((resid    6 and name HG11 ))   4.93  3.13  0.00 ! #SUP  4.21
assign  ((resid    3 and name HA   )) ((resid    3 and name HB*  ))   3.43  1.63  0.00 ! #SUP  3.00
assign  ((resid    3 and name HA   )) ((resid    7 and name HN   ))   4.61  2.81  0.00 ! #SUP  3.81
assign  ((resid    3 and name HA   )) ((resid    6 and name HD1* ))   4.32  2.52  0.00 ! #SUP  7.43
assign  ((resid    3 and name HA   )) ((resid    6 and name HN   ))   4.05  2.25  0.00 ! #SUP  7.36
assign  ((resid    3 and name HA   )) ((resid    3 and name HD*  ))   4.40  2.60  0.00 ! #SUP  2.97
assign  ((resid    4 and name HB*  )) ((resid    5 and name HN   ))   4.24  2.44  0.00 ! #SUP  4.90
assign  ((resid    4 and name HB*  )) ((resid    4 and name HA   ))   3.72  1.92  0.00 ! #SUP  2.00
assign  ((resid   11 and name HG2* )) ((resid    7 and name HA   ))   5.08  3.28  0.00 ! #SUP  2.95
assign  ((resid    6 and name HB   )) ((resid    6 and name HA   ))   3.75  1.95  0.00 ! #SUP  6.26
assign  ((resid    6 and name HB   )) ((resid    3 and name HA   ))   3.52  1.72  0.00 ! #SUP  3.61
assign  ((resid    6 and name HB   )) ((resid    6 and name HG2* ))   3.36  1.56  0.00 ! #SUP  6.25
assign  ((resid    6 and name HB   )) ((resid    6 and name HN   ))   3.19  1.39  0.00 ! #SUP  6.41
assign  ((resid    8 and name HN   )) ((resid    8 and name HB2  ))   3.62  1.82  0.00 ! #SUP  5.57
assign  ((resid    8 and name HN   )) ((resid    6 and name HA   ))   5.01  3.21  0.00 ! #SUP  5.73
assign  ((resid    8 and name HN   )) ((resid    7 and name HN   ))   3.50  1.70  0.00 ! #SUP  7.07
assign  ((resid    8 and name HN   )) ((resid    8 and name HG*  ))   5.28  3.48  0.00 ! #SUP  5.91
assign  ((resid    8 and name HN   )) ((resid    7 and name HD*  ))   5.50  3.70  0.00 ! #SUP  6.73
assign  ((resid    8 and name HN   )) ((resid    7 and name HB*  ))   3.63  1.83  0.00 ! #SUP  6.53
assign  ((resid    8 and name HN   )) ((resid    9 and name HN   ))   3.31  1.51  0.00 ! #SUP  5.61
assign  ((resid   12 and name HD2  )) ((resid   12 and name HD1  ))   2.40  0.60  0.00 ! #SUP  4.00
assign  ((resid   12 and name HD2  )) ((resid   11 and name HG2* ))   5.50  3.70  0.00 ! #SUP  4.97
assign  ((resid   12 and name HD2  )) ((resid    7 and name HE   ))   3.57  1.77  0.00 ! #SUP  1.34
assign  ((resid   12 and name HD2  )) ((resid    8 and name HA   ))   4.92  3.12  0.00 ! #SUP  1.27
assign  ((resid    9 and name HB1  )) ((resid    9 and name HD*  ))   3.79  1.99  0.00 ! #SUP  4.44
assign  ((resid    9 and name HB1  )) ((resid    9 and name HN   ))   3.97  2.17  0.00 ! #SUP  5.95
assign  ((resid    4 and name HN   )) ((resid    3 and name HB*  ))   3.17  1.37  0.00 ! #SUP  4.09
assign  ((resid    5 and name HB2  )) ((resid    5 and name HB1  ))   2.89  1.09  0.00 ! #SUP  3.62
assign  ((resid    5 and name HB2  )) ((resid    5 and name HN   ))   3.48  1.68  0.00 ! #SUP  5.43
assign  ((resid   11 and name HA   )) ((resid   12 and name HD1  ))   4.92  3.12  0.00 ! #SUP  4.22
assign  ((resid   11 and name HA   )) ((resid   11 and name HG2* ))   3.61  1.81  0.00 ! #SUP  5.29
assign  ((resid   11 and name HA   )) ((resid   12 and name HD2  ))   4.56  2.76  0.00 ! #SUP  4.20
assign  ((resid    8 and name HB1  )) ((resid    8 and name HB2  ))   2.69  0.89  0.00 ! #SUP  3.44
assign  ((resid    8 and name HB1  )) ((resid    8 and name HN   ))   3.52  1.72  0.00 ! #SUP  4.97
assign  ((resid    6 and name HN   )) ((resid    6 and name HD1* ))   4.77  2.97  0.00 ! #SUP  7.63
assign  ((resid    6 and name HN   )) ((resid    2 and name HD*  ))   5.50  3.70  0.00 ! #SUP  3.07
assign  ((resid    6 and name HN   )) ((resid    6 and name HG2* ))   4.32  2.52  0.00 ! #SUP  7.76
assign  ((resid   10 and name HG11 )) ((resid   10 and name HD1* ))   3.96  2.16  0.00 ! #SUP  6.14
assign  ((resid   10 and name HG11 )) ((resid    7 and name HA   ))   4.16  2.36  0.00 ! #SUP  4.06
assign  ((resid   10 and name HG11 )) ((resid   10 and name HN   ))   3.93  2.13  0.00 ! #SUP  7.98
assign  ((resid    6 and name HG12 )) ((resid    6 and name HG11 ))   3.17  1.37  0.00 ! #SUP  6.29
assign  ((resid    6 and name HG12 )) ((resid    7 and name HN   ))   5.50  3.70  0.00 ! #SUP  7.56
assign  ((resid    6 and name HG12 )) ((resid    6 and name HD1* ))   3.77  1.97  0.00 ! #SUP  6.51
assign  ((resid    6 and name HG12 )) ((resid    6 and name HB   ))   3.98  2.18  0.00 ! #SUP  5.46
assign  ((resid    6 and name HG12 )) ((resid    6 and name HG2* ))   3.96  2.16  0.00 ! #SUP  6.83
assign  ((resid    5 and name HB1  )) ((resid    6 and name HN   ))   4.31  2.51  0.00 ! #SUP  6.15
assign  ((resid   10 and name HG2* )) ((resid   10 and name HG12 ))   3.99  2.19  0.00 ! #SUP  6.11
assign  ((resid    2 and name HB*  )) ((resid    2 and name HD*  ))   3.90  2.10  0.00 ! #SUP  1.28
assign  ((resid    7 and name HB*  )) ((resid    7 and name HN   ))   3.04  1.24  0.00 ! #SUP  7.23
assign  ((resid    7 and name HB*  )) ((resid    7 and name HD*  ))   3.77  1.97  0.00 ! #SUP  6.47
assign  ((resid    7 and name HB*  )) ((resid    7 and name HG2  ))   3.30  1.50  0.00 ! #SUP  5.40
assign  ((resid   11 and name HB   )) ((resid   11 and name HG2* ))   3.53  1.73  0.00 ! #SUP  5.08
assign  ((resid    9 and name HN   )) ((resid    9 and name HD*  ))   4.53  2.73  0.00 ! #SUP  5.47
assign  ((resid    9 and name HN   )) ((resid    8 and name HB2  ))   4.00  2.20  0.00 ! #SUP  5.61
assign  ((resid    9 and name HN   )) ((resid    8 and name HG*  ))   5.47  3.67  0.00 ! #SUP  5.95
assign  ((resid    9 and name HN   )) ((resid    5 and name HA   ))   5.28  3.48  0.00 ! #SUP  2.31
assign  ((resid    7 and name HE   )) ((resid    7 and name HB*  ))   5.50  3.70  0.00 ! #SUP  4.17
assign  ((resid   10 and name HB   )) ((resid   10 and name HD1* ))   3.89  2.09  0.00 ! #SUP  6.43
assign  ((resid    9 and name HB2  )) ((resid   10 and name HN   ))   3.21  1.41  0.00 ! #SUP  6.10
assign  ((resid   10 and name HB   )) ((resid   10 and name HG12 ))   3.56  1.76  0.00 ! #SUP  6.54
assign  ((resid   10 and name HB   )) ((resid   11 and name HG2* ))   4.67  2.87  0.00 ! #SUP  5.79
assign  ((resid   10 and name HB   )) ((resid   10 and name HG2* ))   3.40  1.60  0.00 ! #SUP  6.43
assign  ((resid    3 and name HD*  )) ((resid    2 and name HA   ))   5.50  3.70  0.00 ! #SUP  3.01
assign  ((resid    3 and name HD*  )) ((resid    3 and name HN   ))   5.28  3.48  0.00 ! #SUP  3.45
assign  ((resid    4 and name HA   )) ((resid    7 and name HN   ))   4.14  2.34  0.00 ! #SUP  4.28
assign  ((resid    4 and name HA   )) ((resid    7 and name HB*  ))   3.54  1.74  0.00 ! #SUP  3.39
assign  ((resid    9 and name HB2  )) ((resid    9 and name HD*  ))   3.87  2.07  0.00 ! #SUP  4.66
assign  ((resid    9 and name HB2  )) ((resid    9 and name HG   ))   3.85  2.05  0.00 ! #SUP  4.66
assign  ((resid    9 and name HB2  )) ((resid    9 and name HB1  ))   2.84  1.04  0.00 ! #SUP  5.28
assign  ((resid    9 and name HB2  )) ((resid    9 and name HN   ))   3.36  1.56  0.00 ! #SUP  6.18
assign  ((resid   10 and name HA   )) ((resid   10 and name HD1* ))   4.86  3.06  0.00 ! #SUP  6.44
assign  ((resid    8 and name HA   )) ((resid   12 and name HD1  ))   5.29  3.49  0.00 ! #SUP  1.27
assign  ((resid   10 and name HA   )) ((resid   11 and name HG2* ))   5.36  3.56  0.00 ! #SUP  6.98
assign  ((resid   10 and name HA   )) ((resid   10 and name HG2* ))   3.54  1.74  0.00 ! #SUP  6.44
assign  ((resid   10 and name HA   )) ((resid   10 and name HB   ))   3.41  1.61  0.00 ! #SUP  7.13
assign  ((resid    5 and name HA   )) ((resid    8 and name HB2  ))   4.14  2.34  0.00 ! #SUP  1.50
assign  ((resid    5 and name HA   )) ((resid    5 and name HB1  ))   3.50  1.70  0.00 ! #SUP  4.60
assign  ((resid    5 and name HA   )) ((resid    8 and name HN   ))   4.18  2.38  0.00 ! #SUP  3.20
assign  ((resid    7 and name HG1  )) ((resid    7 and name HA   ))   3.94  2.14  0.00 ! #SUP  5.47
assign  ((resid    7 and name HG1  )) ((resid    7 and name HG2  ))   3.46  1.66  0.00 ! #SUP  5.25
assign  ((resid    7 and name HG1  )) ((resid    7 and name HB*  ))   3.73  1.93  0.00 ! #SUP  5.73
assign  ((resid    6 and name HA   )) ((resid    9 and name HB2  ))   4.09  2.29  0.00 ! #SUP  4.46
assign  ((resid   11 and name HB   )) ((resid   12 and name HD1  ))   5.47  3.67  0.00 ! #SUP  4.22

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           H1       SER   1  -7.936   1.705   0.229
    2    H2   SER   1           H2       SER   1  -7.985   3.348   0.461
    3    H3   SER   1           H3       SER   1  -9.317   2.551  -0.067
    4    HA   SER   1           HA       SER   1  -8.239   1.894  -2.055
    5    HB2  SER   1           HB2      SER   1  -8.196   4.915  -1.908
    6    HB3  SER   1           HB1      SER   1  -8.623   3.846  -3.269
    7    HG   SER   1           HG       SER   1 -10.550   4.397  -2.359
    8    H    LEU   2           HN       LEU   2  -6.229   4.864  -1.337
    9    HA   LEU   2           HA       LEU   2  -4.067   3.794  -2.814
   10    HB2  LEU   2           HB2      LEU   2  -4.234   5.995  -0.717
   11    HB3  LEU   2           HB1      LEU   2  -2.773   5.678  -1.639
   12    HG   LEU   2           HG       LEU   2  -5.403   6.245  -3.055
   13   HD11  LEU   2          HD11      LEU   2  -3.335   8.259  -2.079
   14   HD12  LEU   2          HD12      LEU   2  -5.026   8.129  -1.568
   15   HD13  LEU   2          HD13      LEU   2  -4.662   8.603  -3.225
   16   HD21  LEU   2          HD21      LEU   2  -2.482   6.622  -3.879
   17   HD22  LEU   2          HD22      LEU   2  -3.916   6.977  -4.874
   18   HD23  LEU   2          HD23      LEU   2  -3.545   5.314  -4.423
   19    H    LEU   3           HN       LEU   3  -4.580   3.718   0.693
   20    HA   LEU   3           HA       LEU   3  -2.139   2.444   1.449
   21    HB2  LEU   3           HB2      LEU   3  -4.899   2.550   2.726
   22    HB3  LEU   3           HB1      LEU   3  -3.483   1.909   3.540
   23    HG   LEU   3           HG       LEU   3  -3.521   4.762   2.486
   24   HD11  LEU   3          HD11      LEU   3  -5.428   4.497   4.010
   25   HD12  LEU   3          HD12      LEU   3  -4.150   5.468   4.756
   26   HD13  LEU   3          HD13      LEU   3  -4.367   3.769   5.234
   27   HD21  LEU   3          HD21      LEU   3  -1.929   3.401   4.708
   28   HD22  LEU   3          HD22      LEU   3  -1.791   5.098   4.206
   29   HD23  LEU   3          HD23      LEU   3  -1.299   3.808   3.098
   30    H    SER   4           HN       SER   4  -4.512   1.071  -0.518
   31    HA   SER   4           HA       SER   4  -4.176  -1.665   0.557
   32    HB2  SER   4           HB2      SER   4  -5.798  -0.833  -1.855
   33    HB3  SER   4           HB1      SER   4  -5.936  -2.299  -0.875
   34    HG   SER   4           HG       SER   4  -7.417  -1.178   0.111
   35    H    LEU   5           HN       LEU   5  -2.658   0.370  -1.727
   36    HA   LEU   5           HA       LEU   5  -1.472  -1.953  -3.215
   37    HB2  LEU   5           HB2      LEU   5  -1.850   0.933  -4.139
   38    HB3  LEU   5           HB1      LEU   5  -0.977  -0.328  -4.995
   39    HG   LEU   5           HG       LEU   5  -3.286  -1.658  -4.773
   40   HD11  LEU   5          HD11      LEU   5  -4.458   0.144  -3.477
   41   HD12  LEU   5          HD12      LEU   5  -5.222  -0.166  -5.032
   42   HD13  LEU   5          HD13      LEU   5  -4.190   1.265  -4.821
   43   HD21  LEU   5          HD21      LEU   5  -3.926  -0.792  -6.985
   44   HD22  LEU   5          HD22      LEU   5  -2.180  -1.061  -6.891
   45   HD23  LEU   5          HD23      LEU   5  -2.829   0.592  -6.779
   46    H    ILE   6           HN       ILE   6  -0.644   1.385  -2.200
   47    HA   ILE   6           HA       ILE   6   2.146   1.115  -2.491
   48    HB   ILE   6           HB       ILE   6   0.800   2.978  -0.511
   49   HG12  ILE   6          HG12      ILE   6   1.262   3.640  -3.457
   50   HG13  ILE   6          HG11      ILE   6  -0.292   3.074  -2.866
   51   HG21  ILE   6          HG21      ILE   6   2.726   4.477  -1.103
   52   HG22  ILE   6          HG22      ILE   6   3.347   3.227  -2.195
   53   HG23  ILE   6          HG23      ILE   6   3.286   2.952  -0.445
   54   HD11  ILE   6          HD3       ILE   6  -0.410   4.973  -1.270
   55   HD12  ILE   6          HD1       ILE   6  -0.406   5.441  -2.981
   56   HD13  ILE   6          HD2       ILE   6   1.061   5.648  -2.013
   57    H    ARG   7           HN       ARG   7   0.088   0.025   0.093
   58    HA   ARG   7           HA       ARG   7   1.854  -0.298   2.240
   59    HB2  ARG   7           HB2      ARG   7   0.331  -1.887   3.107
   60    HB3  ARG   7           HB1      ARG   7  -0.543  -0.600   2.356
   61    HG2  ARG   7           HG2      ARG   7  -1.698  -2.044   1.073
   62    HG3  ARG   7           HG1      ARG   7  -0.251  -2.677   0.346
   63    HD2  ARG   7           HD2      ARG   7  -1.366  -3.613   3.036
   64    HD3  ARG   7           HD1      ARG   7  -1.778  -4.338   1.489
   65    HE   ARG   7           HE       ARG   7   0.389  -5.219   1.242
   66   HH11  ARG   7          HH11      ARG   7   0.230  -3.571   4.347
   67   HH12  ARG   7          HH12      ARG   7   1.853  -4.106   4.748
   68   HH21  ARG   7          HH21      ARG   7   2.387  -5.922   1.952
   69   HH22  ARG   7          HH22      ARG   7   2.999  -5.318   3.426
   70    H    LYS   8           HN       LYS   8   1.784  -2.243  -0.698
   71    HA   LYS   8           HA       LYS   8   3.505  -4.379   0.443
   72    HB2  LYS   8           HB2      LYS   8   2.517  -3.837  -2.392
   73    HB3  LYS   8           HB1      LYS   8   3.527  -5.208  -1.924
   74    HG2  LYS   8           HG2      LYS   8   1.758  -6.036  -0.404
   75    HG3  LYS   8           HG1      LYS   8   0.715  -4.675  -0.868
   76    HD2  LYS   8           HD2      LYS   8   0.751  -5.430  -3.220
   77    HD3  LYS   8           HD1      LYS   8   1.804  -6.790  -2.779
   78    HE2  LYS   8           HE2      LYS   8   0.041  -7.703  -1.307
   79    HE3  LYS   8           HE1      LYS   8  -1.007  -6.323  -1.680
   80    HZ1  LYS   8           HZ1      LYS   8  -1.561  -8.252  -3.045
   81    HZ2  LYS   8           HZ2      LYS   8  -0.041  -8.305  -3.670
   82    HZ3  LYS   8           HZ3      LYS   8  -1.025  -7.030  -3.994
   83    H    LEU   9           HN       LEU   9   4.048  -1.297  -1.028
   84    HA   LEU   9           HA       LEU   9   6.866  -1.932  -1.675
   85    HB2  LEU   9           HB2      LEU   9   5.221   0.603  -2.078
   86    HB3  LEU   9           HB1      LEU   9   6.910   0.394  -2.503
   87    HG   LEU   9           HG       LEU   9   6.073  -1.628  -3.970
   88   HD11  LEU   9          HD11      LEU   9   3.552   0.093  -3.836
   89   HD12  LEU   9          HD12      LEU   9   3.667  -1.597  -3.300
   90   HD13  LEU   9          HD13      LEU   9   3.859  -1.199  -5.002
   91   HD21  LEU   9          HD21      LEU   9   5.761  -0.062  -5.862
   92   HD22  LEU   9          HD22      LEU   9   7.117   0.414  -4.840
   93   HD23  LEU   9          HD23      LEU   9   5.569   1.285  -4.718
   94    H    ILE  10           HN       ILE  10   5.219  -1.171   1.075
   95    HA   ILE  10           HA       ILE  10   7.653  -0.023   2.359
   96    HB   ILE  10           HB       ILE  10   6.228   1.135   3.993
   97   HG12  ILE  10          HG12      ILE  10   3.839   1.722   3.069
   98   HG13  ILE  10          HG11      ILE  10   3.948   0.177   2.248
   99   HG21  ILE  10          HG21      ILE  10   7.211   2.260   2.029
  100   HG22  ILE  10          HG22      ILE  10   5.692   3.004   2.544
  101   HG23  ILE  10          HG23      ILE  10   5.713   1.960   1.109
  102   HD11  ILE  10          HD3       ILE  10   4.127  -0.966   4.425
  103   HD12  ILE  10          HD1       ILE  10   2.721   0.094   4.419
  104   HD13  ILE  10          HD2       ILE  10   4.196   0.601   5.263
  105    H    THR  11           HN       THR  11   5.289  -2.639   2.602
  106    HA   THR  11           HA       THR  11   7.063  -3.761   4.712
  107    HB   THR  11           HB       THR  11   5.065  -4.777   5.862
  108    HG1  THR  11           HG1      THR  11   3.799  -2.842   4.281
  109   HG21  THR  11          HG21      THR  11   5.455  -1.772   6.076
  110   HG22  THR  11          HG22      THR  11   6.224  -3.047   7.026
  111   HG23  THR  11          HG23      THR  11   4.486  -2.751   7.195
  112    HN1  NH2  12           H2       NH2  12   6.834  -6.853   3.113
  113    HN2  NH2  12           H1       NH2  12   7.710  -5.795   4.204
  Start of MODEL    2
    1    H1   SER   1           H1       SER   1  -8.290   2.020   0.230
    2    H2   SER   1           H2       SER   1  -8.390   3.660   0.080
    3    H3   SER   1           H3       SER   1  -9.720   2.740  -0.110
    4    HA   SER   1           HA       SER   1  -8.890   1.740  -2.070
    5    HB2  SER   1           HB2      SER   1  -8.830   3.760  -3.550
    6    HB3  SER   1           HB1      SER   1 -10.220   3.670  -2.460
    7    HG   SER   1           HG       SER   1  -9.300   5.740  -2.440
    8    H    LEU   2           HN       LEU   2  -6.740   4.580  -1.940
    9    HA   LEU   2           HA       LEU   2  -4.740   3.200  -3.430
   10    HB2  LEU   2           HB2      LEU   2  -5.500   5.700  -3.250
   11    HB3  LEU   2           HB1      LEU   2  -4.310   5.830  -1.980
   12    HG   LEU   2           HG       LEU   2  -3.710   4.880  -4.830
   13   HD11  LEU   2          HD11      LEU   2  -2.890   7.160  -5.240
   14   HD12  LEU   2          HD12      LEU   2  -3.400   7.660  -3.610
   15   HD13  LEU   2          HD13      LEU   2  -4.610   7.180  -4.830
   16   HD21  LEU   2          HD21      LEU   2  -1.380   5.640  -4.260
   17   HD22  LEU   2          HD22      LEU   2  -1.900   4.240  -3.350
   18   HD23  LEU   2          HD23      LEU   2  -1.900   5.850  -2.580
   19    H    LEU   3           HN       LEU   3  -4.950   3.930   0.030
   20    HA   LEU   3           HA       LEU   3  -2.340   3.330   0.900
   21    HB2  LEU   3           HB2      LEU   3  -5.010   2.730   2.250
   22    HB3  LEU   3           HB1      LEU   3  -3.460   2.760   3.070
   23    HG   LEU   3           HG       LEU   3  -4.760   5.170   1.730
   24   HD11  LEU   3          HD11      LEU   3  -5.990   4.410   3.720
   25   HD12  LEU   3          HD12      LEU   3  -5.160   5.950   4.020
   26   HD13  LEU   3          HD13      LEU   3  -4.480   4.440   4.670
   27   HD21  LEU   3          HD21      LEU   3  -2.310   5.390   1.770
   28   HD22  LEU   3          HD22      LEU   3  -2.280   4.950   3.500
   29   HD23  LEU   3          HD23      LEU   3  -3.040   6.470   2.970
   30    H    SER   4           HN       SER   4  -4.900   1.060  -0.020
   31    HA   SER   4           HA       SER   4  -3.760  -1.330   1.040
   32    HB2  SER   4           HB2      SER   4  -5.600  -0.980  -1.350
   33    HB3  SER   4           HB1      SER   4  -5.360  -2.470  -0.410
   34    HG   SER   4           HG       SER   4  -6.270  -1.440   1.380
   35    H    LEU   5           HN       LEU   5  -2.850   0.520  -1.780
   36    HA   LEU   5           HA       LEU   5  -1.440  -1.760  -3.070
   37    HB2  LEU   5           HB2      LEU   5  -1.800   1.180  -3.810
   38    HB3  LEU   5           HB1      LEU   5  -0.730   0.070  -4.660
   39    HG   LEU   5           HG       LEU   5  -2.660  -1.390  -5.230
   40   HD11  LEU   5          HD11      LEU   5  -4.350  -0.860  -3.570
   41   HD12  LEU   5          HD12      LEU   5  -4.960  -0.370  -5.140
   42   HD13  LEU   5          HD13      LEU   5  -4.320   0.860  -4.020
   43   HD21  LEU   5          HD21      LEU   5  -2.920   1.520  -6.080
   44   HD22  LEU   5          HD22      LEU   5  -3.540   0.110  -6.970
   45   HD23  LEU   5          HD23      LEU   5  -1.800   0.330  -6.780
   46    H    ILE   6           HN       ILE   6  -0.690   1.290  -1.370
   47    HA   ILE   6           HA       ILE   6   2.140   1.210  -1.630
   48    HB   ILE   6           HB       ILE   6   0.370   2.480   0.500
   49   HG12  ILE   6          HG12      ILE   6   1.680   3.630  -2.020
   50   HG13  ILE   6          HG11      ILE   6  -0.020   3.230  -1.860
   51   HG21  ILE   6          HG21      ILE   6   2.320   3.950   1.010
   52   HG22  ILE   6          HG22      ILE   6   3.320   3.010  -0.120
   53   HG23  ILE   6          HG23      ILE   6   2.680   2.280   1.370
   54   HD11  ILE   6          HD3       ILE   6   1.430   5.430  -0.360
   55   HD12  ILE   6          HD1       ILE   6  -0.250   4.940  -0.050
   56   HD13  ILE   6          HD2       ILE   6   0.230   5.600  -1.630
   57    H    ARG   7           HN       ARG   7   0.050  -0.430   0.670
   58    HA   ARG   7           HA       ARG   7   1.730  -1.530   2.610
   59    HB2  ARG   7           HB2      ARG   7  -0.520  -2.720   0.940
   60    HB3  ARG   7           HB1      ARG   7   0.230  -3.630   2.230
   61    HG2  ARG   7           HG2      ARG   7  -0.650  -0.860   2.990
   62    HG3  ARG   7           HG1      ARG   7  -1.930  -1.970   2.520
   63    HD2  ARG   7           HD2      ARG   7  -1.580  -2.010   4.930
   64    HD3  ARG   7           HD1      ARG   7  -1.280  -3.580   4.210
   65    HE   ARG   7           HE       ARG   7   0.750  -1.690   5.310
   66   HH11  ARG   7          HH11      ARG   7   0.110  -4.960   4.190
   67   HH12  ARG   7          HH12      ARG   7   1.590  -5.560   4.870
   68   HH21  ARG   7          HH21      ARG   7   2.540  -2.580   6.240
   69   HH22  ARG   7          HH22      ARG   7   2.880  -4.270   6.010
   70    H    LYS   8           HN       LYS   8   1.600  -2.580  -0.810
   71    HA   LYS   8           HA       LYS   8   3.460  -4.810  -0.350
   72    HB2  LYS   8           HB2      LYS   8   2.240  -3.650  -2.890
   73    HB3  LYS   8           HB1      LYS   8   3.290  -5.070  -2.840
   74    HG2  LYS   8           HG2      LYS   8   1.670  -6.180  -1.280
   75    HG3  LYS   8           HG1      LYS   8   0.580  -4.800  -1.460
   76    HD2  LYS   8           HD2      LYS   8   0.430  -5.220  -3.900
   77    HD3  LYS   8           HD1      LYS   8   1.590  -6.550  -3.750
   78    HE2  LYS   8           HE2      LYS   8  -0.570  -7.540  -3.870
   79    HE3  LYS   8           HE1      LYS   8   0.020  -7.740  -2.220
   80    HZ1  LYS   8           HZ1      LYS   8  -1.930  -5.690  -3.090
   81    HZ2  LYS   8           HZ2      LYS   8  -1.390  -5.870  -1.560
   82    HZ3  LYS   8           HZ3      LYS   8  -2.290  -7.030  -2.260
   83    H    LEU   9           HN       LEU   9   3.970  -1.500  -0.810
   84    HA   LEU   9           HA       LEU   9   6.720  -1.900  -1.900
   85    HB2  LEU   9           HB2      LEU   9   4.960   0.570  -1.600
   86    HB3  LEU   9           HB1      LEU   9   6.680   0.620  -1.960
   87    HG   LEU   9           HG       LEU   9   6.270  -0.770  -4.020
   88   HD11  LEU   9          HD11      LEU   9   4.080  -1.750  -3.630
   89   HD12  LEU   9          HD12      LEU   9   3.950  -0.650  -4.990
   90   HD13  LEU   9          HD13      LEU   9   3.350  -0.150  -3.400
   91   HD21  LEU   9          HD21      LEU   9   6.580   1.670  -4.080
   92   HD22  LEU   9          HD22      LEU   9   4.830   1.910  -3.830
   93   HD23  LEU   9          HD23      LEU   9   5.440   1.150  -5.320
   94    H    ILE  10           HN       ILE  10   4.960  -0.770   0.980
   95    HA   ILE  10           HA       ILE  10   7.500  -0.130   2.340
   96    HB   ILE  10           HB       ILE  10   6.170   0.810   4.110
   97   HG12  ILE  10          HG12      ILE  10   3.580   1.090   3.410
   98   HG13  ILE  10          HG11      ILE  10   3.830  -0.510   2.730
   99   HG21  ILE  10          HG21      ILE  10   6.740   2.110   2.090
  100   HG22  ILE  10          HG22      ILE  10   5.250   2.670   2.850
  101   HG23  ILE  10          HG23      ILE  10   5.170   1.700   1.370
  102   HD11  ILE  10          HD3       ILE  10   4.540  -1.320   4.980
  103   HD12  ILE  10          HD1       ILE  10   2.930  -0.590   5.020
  104   HD13  ILE  10          HD2       ILE  10   4.330   0.320   5.630
  105    H    THR  11           HN       THR  11   5.130  -2.720   2.470
  106    HA   THR  11           HA       THR  11   5.020  -4.640   3.680
  107    HB   THR  11           HB       THR  11   6.990  -6.090   3.290
  108    HG1  THR  11           HG1      THR  11   8.600  -4.500   3.490
  109   HG21  THR  11          HG21      THR  11   5.260  -5.720   1.550
  110   HG22  THR  11          HG22      THR  11   6.870  -6.020   0.870
  111   HG23  THR  11          HG23      THR  11   6.230  -4.360   0.910
  112    HN1  NH2  12           H2       NH2  12   5.960  -3.570   7.030
  113    HN2  NH2  12           H1       NH2  12   4.960  -2.970   5.720
  Start of MODEL    3
    1    H1   SER   1           H1       SER   1  -8.401   1.866   0.136
    2    H2   SER   1           H2       SER   1  -8.719   3.492   0.119
    3    H3   SER   1           H3       SER   1  -9.808   2.411  -0.494
    4    HA   SER   1           HA       SER   1  -8.430   1.843  -2.275
    5    HB2  SER   1           HB2      SER   1  -8.197   4.028  -3.456
    6    HB3  SER   1           HB1      SER   1  -9.791   3.783  -2.708
    7    HG   SER   1           HG       SER   1  -8.932   5.866  -2.235
    8    H    LEU   2           HN       LEU   2  -6.516   4.765  -1.648
    9    HA   LEU   2           HA       LEU   2  -4.217   3.696  -2.727
   10    HB2  LEU   2           HB2      LEU   2  -4.586   5.925  -0.689
   11    HB3  LEU   2           HB1      LEU   2  -3.054   5.629  -1.495
   12    HG   LEU   2           HG       LEU   2  -5.573   6.105  -3.131
   13   HD11  LEU   2          HD11      LEU   2  -3.712   8.191  -1.927
   14   HD12  LEU   2          HD12      LEU   2  -5.448   8.008  -1.652
   15   HD13  LEU   2          HD13      LEU   2  -4.880   8.501  -3.246
   16   HD21  LEU   2          HD21      LEU   2  -3.551   5.256  -4.312
   17   HD22  LEU   2          HD22      LEU   2  -2.609   6.621  -3.685
   18   HD23  LEU   2          HD23      LEU   2  -3.962   6.898  -4.808
   19    H    LEU   3           HN       LEU   3  -4.959   3.657   0.775
   20    HA   LEU   3           HA       LEU   3  -2.423   2.623   1.592
   21    HB2  LEU   3           HB2      LEU   3  -5.125   2.551   3.008
   22    HB3  LEU   3           HB1      LEU   3  -3.591   2.076   3.706
   23    HG   LEU   3           HG       LEU   3  -2.777   4.494   3.103
   24   HD11  LEU   3          HD11      LEU   3  -4.608   6.175   3.365
   25   HD12  LEU   3          HD12      LEU   3  -5.807   4.879   3.225
   26   HD13  LEU   3          HD13      LEU   3  -4.746   5.293   1.850
   27   HD21  LEU   3          HD21      LEU   3  -3.589   5.276   5.305
   28   HD22  LEU   3          HD22      LEU   3  -3.012   3.608   5.379
   29   HD23  LEU   3          HD23      LEU   3  -4.758   3.936   5.352
   30    H    SER   4           HN       SER   4  -4.796   0.936  -0.176
   31    HA   SER   4           HA       SER   4  -4.075  -1.703   0.979
   32    HB2  SER   4           HB2      SER   4  -6.426  -1.008   0.265
   33    HB3  SER   4           HB1      SER   4  -5.865  -1.209  -1.407
   34    HG   SER   4           HG       SER   4  -6.776  -3.065   0.115
   35    H    LEU   5           HN       LEU   5  -3.080   0.414  -1.575
   36    HA   LEU   5           HA       LEU   5  -1.748  -1.745  -3.108
   37    HB2  LEU   5           HB2      LEU   5  -3.182   0.271  -4.060
   38    HB3  LEU   5           HB1      LEU   5  -1.719   1.204  -3.803
   39    HG   LEU   5           HG       LEU   5  -0.521  -0.623  -5.229
   40   HD11  LEU   5          HD11      LEU   5  -2.364  -2.312  -5.163
   41   HD12  LEU   5          HD12      LEU   5  -2.004  -1.811  -6.823
   42   HD13  LEU   5          HD13      LEU   5  -3.433  -1.167  -5.995
   43   HD21  LEU   5          HD21      LEU   5  -2.647   1.171  -6.485
   44   HD22  LEU   5          HD22      LEU   5  -1.275   0.441  -7.343
   45   HD23  LEU   5          HD23      LEU   5  -0.980   1.637  -6.075
   46    H    ILE   6           HN       ILE   6  -0.863   1.417  -1.670
   47    HA   ILE   6           HA       ILE   6   1.928   1.088  -2.119
   48    HB   ILE   6           HB       ILE   6   0.628   2.994  -0.145
   49   HG12  ILE   6          HG12      ILE   6   1.159   3.588  -3.097
   50   HG13  ILE   6          HG11      ILE   6  -0.419   3.090  -2.515
   51   HG21  ILE   6          HG21      ILE   6   3.117   2.918  -0.035
   52   HG22  ILE   6          HG22      ILE   6   2.583   4.451  -0.695
   53   HG23  ILE   6          HG23      ILE   6   3.207   3.200  -1.784
   54   HD11  ILE   6          HD3       ILE   6   1.002   5.645  -1.722
   55   HD12  ILE   6          HD1       ILE   6  -0.503   5.043  -0.982
   56   HD13  ILE   6          HD2       ILE   6  -0.454   5.452  -2.707
   57    H    ARG   7           HN       ARG   7  -0.039  -0.083   0.512
   58    HA   ARG   7           HA       ARG   7   1.855  -0.440   2.578
   59    HB2  ARG   7           HB2      ARG   7   0.261  -1.912   3.537
   60    HB3  ARG   7           HB1      ARG   7  -0.574  -0.588   2.778
   61    HG2  ARG   7           HG2      ARG   7  -1.851  -2.045   1.626
   62    HG3  ARG   7           HG1      ARG   7  -0.456  -2.626   0.758
   63    HD2  ARG   7           HD2      ARG   7  -1.522  -3.667   3.419
   64    HD3  ARG   7           HD1      ARG   7  -1.746  -4.418   1.846
   65    HE   ARG   7           HE       ARG   7   0.611  -4.940   1.733
   66   HH11  ARG   7          HH11      ARG   7  -0.291  -3.795   4.912
   67   HH12  ARG   7          HH12      ARG   7   1.129  -4.472   5.660
   68   HH21  ARG   7          HH21      ARG   7   2.416  -5.733   2.752
   69   HH22  ARG   7          HH22      ARG   7   2.567  -5.606   4.471
   70    H    LYS   8           HN       LYS   8   1.691  -2.156  -0.407
   71    HA   LYS   8           HA       LYS   8   3.457  -4.374   0.535
   72    HB2  LYS   8           HB2      LYS   8   2.179  -3.838  -2.177
   73    HB3  LYS   8           HB1      LYS   8   3.173  -5.238  -1.764
   74    HG2  LYS   8           HG2      LYS   8   1.491  -5.936  -0.058
   75    HG3  LYS   8           HG1      LYS   8   0.465  -4.563  -0.525
   76    HD2  LYS   8           HD2      LYS   8   0.358  -5.430  -2.847
   77    HD3  LYS   8           HD1      LYS   8   1.358  -6.819  -2.372
   78    HE2  LYS   8           HE2      LYS   8  -0.390  -7.525  -0.756
   79    HE3  LYS   8           HE1      LYS   8  -1.381  -6.126  -1.208
   80    HZ1  LYS   8           HZ1      LYS   8  -2.060  -8.131  -2.400
   81    HZ2  LYS   8           HZ2      LYS   8  -0.568  -8.294  -3.068
   82    HZ3  LYS   8           HZ3      LYS   8  -1.515  -7.005  -3.453
   83    H    LEU   9           HN       LEU   9   3.853  -1.223  -0.685
   84    HA   LEU   9           HA       LEU   9   6.560  -1.790  -1.809
   85    HB2  LEU   9           HB2      LEU   9   4.605   0.511  -2.148
   86    HB3  LEU   9           HB1      LEU   9   6.238   0.542  -2.792
   87    HG   LEU   9           HG       LEU   9   4.278  -1.650  -3.581
   88   HD11  LEU   9          HD11      LEU   9   3.238   0.480  -4.133
   89   HD12  LEU   9          HD12      LEU   9   3.836  -0.290  -5.609
   90   HD13  LEU   9          HD13      LEU   9   4.742   1.060  -4.890
   91   HD21  LEU   9          HD21      LEU   9   6.671  -2.072  -4.095
   92   HD22  LEU   9          HD22      LEU   9   6.770  -0.503  -4.925
   93   HD23  LEU   9          HD23      LEU   9   5.738  -1.789  -5.573
   94    H    ILE  10           HN       ILE  10   5.400  -1.157   1.071
   95    HA   ILE  10           HA       ILE  10   7.719   0.506   1.936
   96    HB   ILE  10           HB       ILE  10   6.358   1.175   3.926
   97   HG12  ILE  10          HG12      ILE  10   3.741   1.274   2.830
   98   HG13  ILE  10          HG11      ILE  10   4.225  -0.394   2.618
   99   HG21  ILE  10          HG21      ILE  10   5.324   3.048   2.745
  100   HG22  ILE  10          HG22      ILE  10   5.442   2.172   1.203
  101   HG23  ILE  10          HG23      ILE  10   6.915   2.671   2.075
  102   HD11  ILE  10          HD3       ILE  10   4.723  -0.550   5.062
  103   HD12  ILE  10          HD1       ILE  10   3.049  -0.069   4.735
  104   HD13  ILE  10          HD2       ILE  10   4.235   1.148   5.245
  105    H    THR  11           HN       THR  11   5.425  -1.820   3.291
  106    HA   THR  11           HA       THR  11   5.514  -3.347   4.873
  107    HB   THR  11           HB       THR  11   7.201  -5.158   4.731
  108    HG1  THR  11           HG1      THR  11   8.596  -5.137   2.997
  109   HG21  THR  11          HG21      THR  11   5.100  -5.188   3.442
  110   HG22  THR  11          HG22      THR  11   6.425  -5.946   2.541
  111   HG23  THR  11          HG23      THR  11   5.894  -4.308   2.116
  112    HN1  NH2  12           H2       NH2  12   7.480  -3.290   7.791
  113    HN2  NH2  12           H1       NH2  12   6.534  -4.410   6.827
  Start of MODEL    4
    1    H1   SER   1           H1       SER   1  -8.092   1.513  -0.120
    2    H2   SER   1           H2       SER   1  -8.276   3.104   0.314
    3    H3   SER   1           H3       SER   1  -9.492   2.307  -0.439
    4    HA   SER   1           HA       SER   1  -8.262   2.031  -2.399
    5    HB2  SER   1           HB2      SER   1  -8.116   4.999  -1.905
    6    HB3  SER   1           HB1      SER   1  -8.627   4.087  -3.341
    7    HG   SER   1           HG       SER   1 -10.448   4.850  -2.259
    8    H    LEU   2           HN       LEU   2  -6.287   4.897  -1.472
    9    HA   LEU   2           HA       LEU   2  -4.073   3.810  -2.817
   10    HB2  LEU   2           HB2      LEU   2  -4.319   6.031  -0.751
   11    HB3  LEU   2           HB1      LEU   2  -2.815   5.696  -1.595
   12    HG   LEU   2           HG       LEU   2  -5.369   6.271  -3.144
   13   HD11  LEU   2          HD11      LEU   2  -4.570   8.622  -3.304
   14   HD12  LEU   2          HD12      LEU   2  -3.332   8.261  -2.063
   15   HD13  LEU   2          HD13      LEU   2  -5.054   8.168  -1.672
   16   HD21  LEU   2          HD21      LEU   2  -3.784   6.971  -4.894
   17   HD22  LEU   2          HD22      LEU   2  -3.459   5.307  -4.414
   18   HD23  LEU   2          HD23      LEU   2  -2.405   6.605  -3.829
   19    H    LEU   3           HN       LEU   3  -4.719   3.704   0.687
   20    HA   LEU   3           HA       LEU   3  -2.204   2.538   1.418
   21    HB2  LEU   3           HB2      LEU   3  -4.875   2.529   2.895
   22    HB3  LEU   3           HB1      LEU   3  -3.333   2.011   3.543
   23    HG   LEU   3           HG       LEU   3  -2.489   4.426   2.969
   24   HD11  LEU   3          HD11      LEU   3  -5.509   4.865   3.158
   25   HD12  LEU   3          HD12      LEU   3  -4.466   5.296   1.775
   26   HD13  LEU   3          HD13      LEU   3  -4.287   6.136   3.307
   27   HD21  LEU   3          HD21      LEU   3  -3.241   5.185   5.199
   28   HD22  LEU   3          HD22      LEU   3  -2.698   3.503   5.234
   29   HD23  LEU   3          HD23      LEU   3  -4.437   3.868   5.247
   30    H    SER   4           HN       SER   4  -4.623   1.084  -0.431
   31    HA   SER   4           HA       SER   4  -4.254  -1.626   0.675
   32    HB2  SER   4           HB2      SER   4  -5.822  -0.766  -1.771
   33    HB3  SER   4           HB1      SER   4  -5.976  -2.275  -0.861
   34    HG   SER   4           HG       SER   4  -6.979  -1.219   0.748
   35    H    LEU   5           HN       LEU   5  -2.771   0.368  -1.714
   36    HA   LEU   5           HA       LEU   5  -1.510  -1.987  -3.073
   37    HB2  LEU   5           HB2      LEU   5  -1.759   0.902  -4.028
   38    HB3  LEU   5           HB1      LEU   5  -0.892  -0.394  -4.836
   39    HG   LEU   5           HG       LEU   5  -3.240  -1.650  -4.730
   40   HD11  LEU   5          HD11      LEU   5  -4.447   0.155  -3.477
   41   HD12  LEU   5          HD12      LEU   5  -5.128  -0.109  -5.077
   42   HD13  LEU   5          HD13      LEU   5  -4.077   1.292  -4.785
   43   HD21  LEU   5          HD21      LEU   5  -2.037  -1.060  -6.798
   44   HD22  LEU   5          HD22      LEU   5  -2.661   0.603  -6.699
   45   HD23  LEU   5          HD23      LEU   5  -3.772  -0.758  -6.957
   46    H    ILE   6           HN       ILE   6  -0.657   1.308  -1.938
   47    HA   ILE   6           HA       ILE   6   2.129   0.960  -2.175
   48    HB   ILE   6           HB       ILE   6   0.766   2.905  -0.289
   49   HG12  ILE   6          HG12      ILE   6   1.351   3.453  -3.239
   50   HG13  ILE   6          HG11      ILE   6  -0.236   2.956  -2.683
   51   HG21  ILE   6          HG21      ILE   6   3.258   2.825  -0.140
   52   HG22  ILE   6          HG22      ILE   6   2.733   4.349  -0.829
   53   HG23  ILE   6          HG23      ILE   6   3.372   3.082  -1.891
   54   HD11  ILE   6          HD3       ILE   6   1.161   5.525  -1.894
   55   HD12  ILE   6          HD1       ILE   6  -0.353   4.926  -1.172
   56   HD13  ILE   6          HD2       ILE   6  -0.278   5.316  -2.900
   57    H    ARG   7           HN       ARG   7   0.043  -0.125   0.405
   58    HA   ARG   7           HA       ARG   7   1.827  -0.517   2.549
   59    HB2  ARG   7           HB2      ARG   7   0.199  -2.025   3.391
   60    HB3  ARG   7           HB1      ARG   7  -0.601  -0.686   2.624
   61    HG2  ARG   7           HG2      ARG   7  -1.818  -2.123   1.373
   62    HG3  ARG   7           HG1      ARG   7  -0.376  -2.675   0.563
   63    HD2  ARG   7           HD2      ARG   7  -1.547  -3.783   3.154
   64    HD3  ARG   7           HD1      ARG   7  -1.713  -4.497   1.557
   65    HE   ARG   7           HE       ARG   7   0.652  -5.006   1.515
   66   HH11  ARG   7          HH11      ARG   7  -0.364  -3.946   4.689
   67   HH12  ARG   7          HH12      ARG   7   1.027  -4.651   5.466
   68   HH21  ARG   7          HH21      ARG   7   2.417  -5.834   2.574
   69   HH22  ARG   7          HH22      ARG   7   2.511  -5.749   4.296
   70    H    LYS   8           HN       LYS   8   1.835  -2.202  -0.470
   71    HA   LYS   8           HA       LYS   8   3.574  -4.410   0.541
   72    HB2  LYS   8           HB2      LYS   8   2.444  -3.843  -2.231
   73    HB3  LYS   8           HB1      LYS   8   3.451  -5.226  -1.795
   74    HG2  LYS   8           HG2      LYS   8   1.697  -6.002  -0.197
   75    HG3  LYS   8           HG1      LYS   8   0.660  -4.651  -0.700
   76    HD2  LYS   8           HD2      LYS   8   0.702  -5.481  -3.035
   77    HD3  LYS   8           HD1      LYS   8   1.731  -6.840  -2.536
   78    HE2  LYS   8           HE2      LYS   8  -0.065  -7.657  -1.034
   79    HE3  LYS   8           HE1      LYS   8  -1.090  -6.288  -1.501
   80    HZ1  LYS   8           HZ1      LYS   8  -1.631  -8.286  -2.773
   81    HZ2  LYS   8           HZ2      LYS   8  -0.101  -8.379  -3.366
   82    HZ3  LYS   8           HZ3      LYS   8  -1.074  -7.117  -3.773
   83    H    LEU   9           HN       LEU   9   4.004  -1.234  -0.716
   84    HA   LEU   9           HA       LEU   9   6.802  -1.817  -1.570
   85    HB2  LEU   9           HB2      LEU   9   5.002   0.594  -2.073
   86    HB3  LEU   9           HB1      LEU   9   6.707   0.509  -2.471
   87    HG   LEU   9           HG       LEU   9   6.077  -1.619  -3.873
   88   HD11  LEU   9          HD11      LEU   9   3.850  -1.416  -4.941
   89   HD12  LEU   9          HD12      LEU   9   3.412  -0.121  -3.813
   90   HD13  LEU   9          HD13      LEU   9   3.679  -1.777  -3.224
   91   HD21  LEU   9          HD21      LEU   9   6.967   0.474  -4.784
   92   HD22  LEU   9          HD22      LEU   9   5.356   1.226  -4.706
   93   HD23  LEU   9          HD23      LEU   9   5.671  -0.129  -5.816
   94    H    ILE  10           HN       ILE  10   5.217  -0.915   1.162
   95    HA   ILE  10           HA       ILE  10   7.651   0.390   2.301
   96    HB   ILE  10           HB       ILE  10   6.198   0.893   4.286
   97   HG12  ILE  10          HG12      ILE  10   3.722   1.112   2.668
   98   HG13  ILE  10          HG11      ILE  10   4.161  -0.553   2.960
   99   HG21  ILE  10          HG21      ILE  10   5.330   2.965   3.267
  100   HG22  ILE  10          HG22      ILE  10   5.587   2.281   1.646
  101   HG23  ILE  10          HG23      ILE  10   6.972   2.594   2.719
  102   HD11  ILE  10          HD3       ILE  10   3.811   1.559   5.118
  103   HD12  ILE  10          HD1       ILE  10   4.258  -0.142   5.397
  104   HD13  ILE  10          HD2       ILE  10   2.670   0.260   4.714
  105    H    THR  11           HN       THR  11   5.158  -1.784   3.612
  106    HA   THR  11           HA       THR  11   5.203  -3.452   5.077
  107    HB   THR  11           HB       THR  11   6.765  -5.283   4.935
  108    HG1  THR  11           HG1      THR  11   8.271  -3.433   3.528
  109   HG21  THR  11          HG21      THR  11   6.364  -5.934   2.614
  110   HG22  THR  11          HG22      THR  11   5.925  -4.270   2.192
  111   HG23  THR  11          HG23      THR  11   4.920  -5.195   3.333
  112    HN1  NH2  12           H2       NH2  12   7.297  -3.365   7.974
  113    HN2  NH2  12           H1       NH2  12   6.423  -4.549   7.019
  Start of MODEL    5
    1    H1   SER   1           H1       SER   1  -8.402   2.003   0.315
    2    H2   SER   1           H2       SER   1  -8.279   3.647   0.494
    3    H3   SER   1           H3       SER   1  -9.659   2.985  -0.097
    4    HA   SER   1           HA       SER   1  -8.522   2.133  -1.991
    5    HB2  SER   1           HB2      SER   1  -8.284   5.150  -1.881
    6    HB3  SER   1           HB1      SER   1  -8.649   4.094  -3.274
    7    HG   SER   1           HG       SER   1 -10.630   4.719  -2.524
    8    H    LEU   2           HN       LEU   2  -6.330   4.951  -1.419
    9    HA   LEU   2           HA       LEU   2  -4.263   3.675  -2.781
   10    HB2  LEU   2           HB2      LEU   2  -4.263   5.997  -0.814
   11    HB3  LEU   2           HB1      LEU   2  -2.856   5.564  -1.771
   12    HG   LEU   2           HG       LEU   2  -5.507   6.117  -3.148
   13   HD11  LEU   2          HD11      LEU   2  -4.771   8.456  -3.455
   14   HD12  LEU   2          HD12      LEU   2  -3.428   8.176  -2.310
   15   HD13  LEU   2          HD13      LEU   2  -5.111   8.074  -1.770
   16   HD21  LEU   2          HD21      LEU   2  -2.602   6.450  -4.040
   17   HD22  LEU   2          HD22      LEU   2  -4.056   6.739  -5.026
   18   HD23  LEU   2          HD23      LEU   2  -3.667   5.106  -4.487
   19    H    LEU   3           HN       LEU   3  -4.768   3.610   0.731
   20    HA   LEU   3           HA       LEU   3  -2.235   2.523   1.440
   21    HB2  LEU   3           HB2      LEU   3  -4.896   2.350   2.924
   22    HB3  LEU   3           HB1      LEU   3  -3.317   1.951   3.566
   23    HG   LEU   3           HG       LEU   3  -2.661   4.423   2.989
   24   HD11  LEU   3          HD11      LEU   3  -5.706   4.632   3.190
   25   HD12  LEU   3          HD12      LEU   3  -4.702   5.146   1.803
   26   HD13  LEU   3          HD13      LEU   3  -4.581   5.991   3.336
   27   HD21  LEU   3          HD21      LEU   3  -4.559   3.717   5.270
   28   HD22  LEU   3          HD22      LEU   3  -3.468   5.122   5.221
   29   HD23  LEU   3          HD23      LEU   3  -2.796   3.489   5.256
   30    H    SER   4           HN       SER   4  -4.482   0.928  -0.462
   31    HA   SER   4           HA       SER   4  -3.827  -1.758   0.659
   32    HB2  SER   4           HB2      SER   4  -5.538  -2.642  -0.789
   33    HB3  SER   4           HB1      SER   4  -6.176  -1.356   0.245
   34    HG   SER   4           HG       SER   4  -6.023   0.069  -1.580
   35    H    LEU   5           HN       LEU   5  -2.639   0.372  -1.673
   36    HA   LEU   5           HA       LEU   5  -1.386  -1.828  -3.274
   37    HB2  LEU   5           HB2      LEU   5  -1.806   1.113  -3.988
   38    HB3  LEU   5           HB1      LEU   5  -0.971  -0.091  -4.958
   39    HG   LEU   5           HG       LEU   5  -3.291  -1.424  -4.699
   40   HD11  LEU   5          HD11      LEU   5  -5.218   0.062  -4.786
   41   HD12  LEU   5          HD12      LEU   5  -4.182   1.504  -4.650
   42   HD13  LEU   5          HD13      LEU   5  -4.356   0.387  -3.289
   43   HD21  LEU   5          HD21      LEU   5  -2.258  -0.750  -6.835
   44   HD22  LEU   5          HD22      LEU   5  -2.899   0.898  -6.635
   45   HD23  LEU   5          HD23      LEU   5  -4.006  -0.479  -6.845
   46    H    ILE   6           HN       ILE   6  -0.627   1.416  -1.967
   47    HA   ILE   6           HA       ILE   6   2.182   1.160  -2.244
   48    HB   ILE   6           HB       ILE   6   0.796   2.987  -0.260
   49   HG12  ILE   6          HG12      ILE   6   1.299   3.715  -3.184
   50   HG13  ILE   6          HG11      ILE   6  -0.258   3.112  -2.648
   51   HG21  ILE   6          HG21      ILE   6   2.716   4.507  -0.817
   52   HG22  ILE   6          HG22      ILE   6   3.355   3.277  -1.920
   53   HG23  ILE   6          HG23      ILE   6   3.283   2.975  -0.174
   54   HD11  ILE   6          HD3       ILE   6   1.021   5.681  -1.676
   55   HD12  ILE   6          HD1       ILE   6  -0.481   4.968  -1.037
   56   HD13  ILE   6          HD2       ILE   6  -0.387   5.484  -2.730
   57    H    ARG   7           HN       ARG   7   0.090  -0.160   0.224
   58    HA   ARG   7           HA       ARG   7   1.974  -0.498   2.317
   59    HB2  ARG   7           HB2      ARG   7   0.423  -1.846   3.388
   60    HB3  ARG   7           HB1      ARG   7  -0.407  -0.551   2.591
   61    HG2  ARG   7           HG2      ARG   7  -1.802  -2.407   2.313
   62    HG3  ARG   7           HG1      ARG   7  -1.065  -2.173   0.734
   63    HD2  ARG   7           HD2      ARG   7  -1.331  -4.560   1.504
   64    HD3  ARG   7           HD1      ARG   7   0.295  -4.118   1.004
   65    HE   ARG   7           HE       ARG   7  -0.472  -4.070   3.891
   66   HH11  ARG   7          HH11      ARG   7   1.653  -5.447   1.471
   67   HH12  ARG   7          HH12      ARG   7   2.941  -5.650   2.626
   68   HH21  ARG   7          HH21      ARG   7   1.236  -4.428   5.275
   69   HH22  ARG   7          HH22      ARG   7   2.714  -5.049   4.648
   70    H    LYS   8           HN       LYS   8   1.715  -2.293  -0.649
   71    HA   LYS   8           HA       LYS   8   3.404  -4.547   0.315
   72    HB2  LYS   8           HB2      LYS   8   2.459  -3.835  -2.500
   73    HB3  LYS   8           HB1      LYS   8   3.332  -5.295  -2.023
   74    HG2  LYS   8           HG2      LYS   8   1.386  -5.854  -0.476
   75    HG3  LYS   8           HG1      LYS   8   0.499  -4.509  -1.230
   76    HD2  LYS   8           HD2      LYS   8   0.776  -5.587  -3.452
   77    HD3  LYS   8           HD1      LYS   8   1.639  -6.937  -2.679
   78    HE2  LYS   8           HE2      LYS   8  -0.386  -7.407  -1.290
   79    HE3  LYS   8           HE1      LYS   8  -1.243  -6.093  -2.112
   80    HZ1  LYS   8           HZ1      LYS   8  -0.156  -8.517  -3.440
   81    HZ2  LYS   8           HZ2      LYS   8  -0.952  -7.297  -4.199
   82    HZ3  LYS   8           HZ3      LYS   8  -1.746  -8.238  -3.120
   83    H    LEU   9           HN       LEU   9   3.907  -1.417  -1.099
   84    HA   LEU   9           HA       LEU   9   6.693  -1.975  -1.900
   85    HB2  LEU   9           HB2      LEU   9   4.838   0.428  -1.989
   86    HB3  LEU   9           HB1      LEU   9   6.527   0.558  -2.428
   87    HG   LEU   9           HG       LEU   9   4.847  -1.558  -3.806
   88   HD11  LEU   9          HD11      LEU   9   4.258   0.097  -5.541
   89   HD12  LEU   9          HD12      LEU   9   4.909   1.400  -4.517
   90   HD13  LEU   9          HD13      LEU   9   3.493   0.455  -3.989
   91   HD21  LEU   9          HD21      LEU   9   7.248  -1.556  -4.261
   92   HD22  LEU   9          HD22      LEU   9   7.224   0.190  -4.604
   93   HD23  LEU   9          HD23      LEU   9   6.400  -0.932  -5.685
   94    H    ILE  10           HN       ILE  10   5.226  -1.380   1.016
   95    HA   ILE  10           HA       ILE  10   7.722  -0.235   2.179
   96    HB   ILE  10           HB       ILE  10   6.364   0.807   3.960
   97   HG12  ILE  10          HG12      ILE  10   3.890   1.347   2.965
   98   HG13  ILE  10          HG11      ILE  10   4.075  -0.290   2.370
   99   HG21  ILE  10          HG21      ILE  10   7.255   2.065   2.048
  100   HG22  ILE  10          HG22      ILE  10   5.731   2.745   2.637
  101   HG23  ILE  10          HG23      ILE  10   5.744   1.780   1.146
  102   HD11  ILE  10          HD3       ILE  10   4.291   0.583   5.280
  103   HD12  ILE  10          HD1       ILE  10   4.425  -1.089   4.691
  104   HD13  ILE  10          HD2       ILE  10   2.897  -0.217   4.526
  105    H    THR  11           HN       THR  11   5.201  -2.765   2.708
  106    HA   THR  11           HA       THR  11   7.290  -4.091   4.340
  107    HB   THR  11           HB       THR  11   5.629  -4.961   5.967
  108    HG1  THR  11           HG1      THR  11   4.077  -2.757   5.254
  109   HG21  THR  11          HG21      THR  11   6.040  -1.947   6.050
  110   HG22  THR  11          HG22      THR  11   7.117  -3.188   6.703
  111   HG23  THR  11          HG23      THR  11   5.502  -2.966   7.401
  112    HN1  NH2  12           H2       NH2  12   6.443  -7.134   2.906
  113    HN2  NH2  12           H1       NH2  12   7.612  -6.157   3.775
  Start of MODEL    6
    1    H1   SER   1           H1       SER   1  -8.670   4.313  -4.194
    2    H2   SER   1           H2       SER   1  -8.564   2.741  -4.671
    3    H3   SER   1           H3       SER   1  -9.769   3.191  -3.646
    4    HA   SER   1           HA       SER   1  -8.231   3.566  -1.885
    5    HB2  SER   1           HB2      SER   1  -7.054   1.221  -1.959
    6    HB3  SER   1           HB1      SER   1  -8.828   1.300  -1.863
    7    HG   SER   1           HG       SER   1  -8.004  -0.130  -3.533
    8    H    LEU   2           HN       LEU   2  -6.024   3.681  -1.151
    9    HA   LEU   2           HA       LEU   2  -3.871   3.837  -3.198
   10    HB2  LEU   2           HB2      LEU   2  -4.716   6.082  -1.326
   11    HB3  LEU   2           HB1      LEU   2  -3.092   5.984  -1.987
   12    HG   LEU   2           HG       LEU   2  -5.526   6.042  -3.812
   13   HD11  LEU   2          HD11      LEU   2  -5.635   8.031  -2.424
   14   HD12  LEU   2          HD12      LEU   2  -5.149   8.450  -4.065
   15   HD13  LEU   2          HD13      LEU   2  -3.935   8.409  -2.757
   16   HD21  LEU   2          HD21      LEU   2  -3.385   5.322  -4.842
   17   HD22  LEU   2          HD22      LEU   2  -2.593   6.783  -4.232
   18   HD23  LEU   2          HD23      LEU   2  -3.892   6.897  -5.449
   19    H    LEU   3           HN       LEU   3  -4.630   4.091   0.313
   20    HA   LEU   3           HA       LEU   3  -2.096   3.441   1.326
   21    HB2  LEU   3           HB2      LEU   3  -4.907   2.918   2.381
   22    HB3  LEU   3           HB1      LEU   3  -3.465   2.665   3.353
   23    HG   LEU   3           HG       LEU   3  -3.973   5.370   2.064
   24   HD11  LEU   3          HD11      LEU   3  -6.009   4.843   3.319
   25   HD12  LEU   3          HD12      LEU   3  -5.070   6.098   4.136
   26   HD13  LEU   3          HD13      LEU   3  -5.043   4.429   4.753
   27   HD21  LEU   3          HD21      LEU   3  -2.526   4.536   4.616
   28   HD22  LEU   3          HD22      LEU   3  -2.634   6.180   3.952
   29   HD23  LEU   3          HD23      LEU   3  -1.736   4.930   3.074
   30    H    SER   4           HN       SER   4  -4.734   1.162   0.432
   31    HA   SER   4           HA       SER   4  -3.282  -1.201   1.182
   32    HB2  SER   4           HB2      SER   4  -5.191  -2.338  -0.061
   33    HB3  SER   4           HB1      SER   4  -5.599  -1.331   1.332
   34    HG   SER   4           HG       SER   4  -6.960  -0.979  -0.457
   35    H    LEU   5           HN       LEU   5  -2.426   0.780  -1.238
   36    HA   LEU   5           HA       LEU   5  -1.518  -1.432  -3.045
   37    HB2  LEU   5           HB2      LEU   5  -1.947   1.542  -3.597
   38    HB3  LEU   5           HB1      LEU   5  -1.133   0.442  -4.681
   39    HG   LEU   5           HG       LEU   5  -3.277   0.705  -5.535
   40   HD11  LEU   5          HD11      LEU   5  -2.401  -1.665  -5.397
   41   HD12  LEU   5          HD12      LEU   5  -4.157  -1.510  -5.636
   42   HD13  LEU   5          HD13      LEU   5  -3.505  -1.929  -4.039
   43   HD21  LEU   5          HD21      LEU   5  -4.590  -0.102  -2.917
   44   HD22  LEU   5          HD22      LEU   5  -5.367   0.406  -4.422
   45   HD23  LEU   5          HD23      LEU   5  -4.403   1.569  -3.496
   46    H    ILE   6           HN       ILE   6  -0.465   1.635  -1.528
   47    HA   ILE   6           HA       ILE   6   2.315   1.263  -2.068
   48    HB   ILE   6           HB       ILE   6   1.183   2.809   0.274
   49   HG12  ILE   6          HG12      ILE   6   1.688   4.166  -2.398
   50   HG13  ILE   6          HG11      ILE   6   0.145   3.389  -2.158
   51   HG21  ILE   6          HG21      ILE   6   3.669   3.200  -1.472
   52   HG22  ILE   6          HG22      ILE   6   3.657   2.620   0.204
   53   HG23  ILE   6          HG23      ILE   6   3.173   4.278  -0.158
   54   HD11  ILE   6          HD3       ILE   6  -0.084   5.697  -1.573
   55   HD12  ILE   6          HD1       ILE   6   1.253   5.605  -0.408
   56   HD13  ILE   6          HD2       ILE   6  -0.261   4.717  -0.108
   57    H    ARG   7           HN       ARG   7   0.228  -0.141   0.356
   58    HA   ARG   7           HA       ARG   7   1.847  -1.282   2.286
   59    HB2  ARG   7           HB2      ARG   7  -0.691  -2.043   0.852
   60    HB3  ARG   7           HB1      ARG   7   0.085  -3.293   1.782
   61    HG2  ARG   7           HG2      ARG   7   0.119  -1.012   3.503
   62    HG3  ARG   7           HG1      ARG   7  -1.433  -0.953   2.707
   63    HD2  ARG   7           HD2      ARG   7  -1.422  -2.159   4.889
   64    HD3  ARG   7           HD1      ARG   7  -2.119  -3.042   3.535
   65    HE   ARG   7           HE       ARG   7  -0.609  -4.695   3.881
   66   HH11  ARG   7          HH11      ARG   7   1.005  -1.864   5.210
   67   HH12  ARG   7          HH12      ARG   7   2.500  -2.746   5.413
   68   HH21  ARG   7          HH21      ARG   7   1.333  -5.666   4.103
   69   HH22  ARG   7          HH22      ARG   7   2.699  -4.760   4.573
   70    H    LYS   8           HN       LYS   8   1.782  -2.425  -1.068
   71    HA   LYS   8           HA       LYS   8   3.511  -4.759  -0.357
   72    HB2  LYS   8           HB2      LYS   8   2.246  -3.815  -2.957
   73    HB3  LYS   8           HB1      LYS   8   3.379  -5.170  -2.855
   74    HG2  LYS   8           HG2      LYS   8   1.888  -6.363  -1.299
   75    HG3  LYS   8           HG1      LYS   8   0.718  -5.028  -1.369
   76    HD2  LYS   8           HD2      LYS   8   0.451  -5.366  -3.798
   77    HD3  LYS   8           HD1      LYS   8   1.655  -6.677  -3.760
   78    HE2  LYS   8           HE2      LYS   8   0.217  -7.960  -2.202
   79    HE3  LYS   8           HE1      LYS   8  -0.982  -6.655  -2.222
   80    HZ1  LYS   8           HZ1      LYS   8  -1.571  -8.419  -3.775
   81    HZ2  LYS   8           HZ2      LYS   8  -0.150  -8.250  -4.581
   82    HZ3  LYS   8           HZ3      LYS   8  -1.267  -7.037  -4.598
   83    H    LEU   9           HN       LEU   9   4.053  -1.500  -1.040
   84    HA   LEU   9           HA       LEU   9   6.752  -1.995  -2.201
   85    HB2  LEU   9           HB2      LEU   9   5.053   0.534  -1.966
   86    HB3  LEU   9           HB1      LEU   9   6.723   0.487  -2.496
   87    HG   LEU   9           HG       LEU   9   5.878  -1.245  -4.292
   88   HD11  LEU   9          HD11      LEU   9   3.307   0.330  -3.786
   89   HD12  LEU   9          HD12      LEU   9   3.506  -1.382  -3.380
   90   HD13  LEU   9          HD13      LEU   9   3.582  -0.875  -5.043
   91   HD21  LEU   9          HD21      LEU   9   5.506   0.654  -5.808
   92   HD22  LEU   9          HD22      LEU   9   6.827   0.994  -4.711
   93   HD23  LEU   9          HD23      LEU   9   5.227   1.733  -4.427
   94    H    ILE  10           HN       ILE  10   5.226  -1.228   0.764
   95    HA   ILE  10           HA       ILE  10   7.736  -0.216   1.991
   96    HB   ILE  10           HB       ILE  10   6.266   0.139   3.999
   97   HG12  ILE  10          HG12      ILE  10   3.831   0.253   2.261
   98   HG13  ILE  10          HG11      ILE  10   4.326  -1.365   2.758
   99   HG21  ILE  10          HG21      ILE  10   5.587   1.676   1.462
  100   HG22  ILE  10          HG22      ILE  10   6.978   1.965   2.527
  101   HG23  ILE  10          HG23      ILE  10   5.334   2.245   3.125
  102   HD11  ILE  10          HD3       ILE  10   4.241  -0.750   5.056
  103   HD12  ILE  10          HD1       ILE  10   2.685  -0.368   4.293
  104   HD13  ILE  10          HD2       ILE  10   3.823   0.943   4.661
  105    H    THR  11           HN       THR  11   5.483  -3.015   2.417
  106    HA   THR  11           HA       THR  11   7.480  -4.187   4.321
  107    HB   THR  11           HB       THR  11   5.746  -5.883   4.821
  108    HG1  THR  11           HG1      THR  11   4.604  -5.221   2.770
  109   HG21  THR  11          HG21      THR  11   5.961  -3.927   6.312
  110   HG22  THR  11          HG22      THR  11   4.287  -4.491   6.200
  111   HG23  THR  11          HG23      THR  11   4.800  -3.032   5.309
  112    HN1  NH2  12           H2       NH2  12   8.483  -6.790   2.213
  113    HN2  NH2  12           H1       NH2  12   8.796  -5.810   3.637
  Start of MODEL    7
    1    H1   SER   1           H1       SER   1  -7.953   6.312   1.087
    2    H2   SER   1           H2       SER   1  -7.682   7.697   0.255
    3    H3   SER   1           H3       SER   1  -9.199   7.044   0.268
    4    HA   SER   1           HA       SER   1  -8.389   5.090  -0.896
    5    HB2  SER   1           HB2      SER   1  -7.930   7.759  -2.291
    6    HB3  SER   1           HB1      SER   1  -8.229   6.188  -3.087
    7    HG   SER   1           HG       SER   1 -10.211   7.221  -2.814
    8    H    LEU   2           HN       LEU   2  -6.611   4.365  -2.452
    9    HA   LEU   2           HA       LEU   2  -4.498   3.591  -2.677
   10    HB2  LEU   2           HB2      LEU   2  -3.885   6.536  -2.316
   11    HB3  LEU   2           HB1      LEU   2  -2.691   5.356  -2.819
   12    HG   LEU   2           HG       LEU   2  -5.265   5.701  -4.394
   13   HD11  LEU   2          HD11      LEU   2  -4.028   7.235  -5.872
   14   HD12  LEU   2          HD12      LEU   2  -2.645   7.213  -4.754
   15   HD13  LEU   2          HD13      LEU   2  -4.203   7.909  -4.245
   16   HD21  LEU   2          HD21      LEU   2  -3.872   3.686  -4.875
   17   HD22  LEU   2          HD22      LEU   2  -2.465   4.734  -5.155
   18   HD23  LEU   2          HD23      LEU   2  -3.872   4.819  -6.230
   19    H    LEU   3           HN       LEU   3  -4.943   2.428  -0.636
   20    HA   LEU   3           HA       LEU   3  -2.762   2.958   1.356
   21    HB2  LEU   3           HB2      LEU   3  -5.636   2.079   1.844
   22    HB3  LEU   3           HB1      LEU   3  -4.373   1.961   3.061
   23    HG   LEU   3           HG       LEU   3  -5.021   4.632   1.746
   24   HD11  LEU   3          HD11      LEU   3  -7.126   3.778   2.660
   25   HD12  LEU   3          HD12      LEU   3  -6.503   5.133   3.625
   26   HD13  LEU   3          HD13      LEU   3  -6.337   3.467   4.219
   27   HD21  LEU   3          HD21      LEU   3  -4.101   5.551   3.818
   28   HD22  LEU   3          HD22      LEU   3  -2.921   4.463   3.079
   29   HD23  LEU   3          HD23      LEU   3  -3.872   3.918   4.480
   30    H    SER   4           HN       SER   4  -5.088   0.368   0.492
   31    HA   SER   4           HA       SER   4  -3.494  -1.814   1.067
   32    HB2  SER   4           HB2      SER   4  -5.764  -1.736  -0.936
   33    HB3  SER   4           HB1      SER   4  -5.256  -3.100   0.086
   34    HG   SER   4           HG       SER   4  -6.590  -2.266   1.527
   35    H    LEU   5           HN       LEU   5  -2.428   0.144  -1.143
   36    HA   LEU   5           HA       LEU   5  -1.437  -1.938  -3.059
   37    HB2  LEU   5           HB2      LEU   5  -1.932   1.032  -3.590
   38    HB3  LEU   5           HB1      LEU   5  -1.150  -0.106  -4.677
   39    HG   LEU   5           HG       LEU   5  -3.422  -1.492  -4.364
   40   HD11  LEU   5          HD11      LEU   5  -4.352   1.398  -3.986
   41   HD12  LEU   5          HD12      LEU   5  -4.498   0.112  -2.764
   42   HD13  LEU   5          HD13      LEU   5  -5.385  -0.016  -4.276
   43   HD21  LEU   5          HD21      LEU   5  -4.296  -0.399  -6.382
   44   HD22  LEU   5          HD22      LEU   5  -2.551  -0.646  -6.501
   45   HD23  LEU   5          HD23      LEU   5  -3.194   0.975  -6.140
   46    H    ILE   6           HN       ILE   6  -0.612   1.167  -1.483
   47    HA   ILE   6           HA       ILE   6   2.214   0.989  -1.797
   48    HB   ILE   6           HB       ILE   6   0.750   2.455   0.420
   49   HG12  ILE   6          HG12      ILE   6   1.313   3.656  -2.335
   50   HG13  ILE   6          HG11      ILE   6  -0.256   2.982  -1.916
   51   HG21  ILE   6          HG21      ILE   6   3.236   2.428   0.565
   52   HG22  ILE   6          HG22      ILE   6   2.662   4.048   0.213
   53   HG23  ILE   6          HG23      ILE   6   3.348   3.058  -1.089
   54   HD11  ILE   6          HD3       ILE   6  -0.419   4.544   0.017
   55   HD12  ILE   6          HD1       ILE   6  -0.418   5.315  -1.579
   56   HD13  ILE   6          HD2       ILE   6   1.038   5.370  -0.572
   57    H    ARG   7           HN       ARG   7   0.045  -0.529   0.485
   58    HA   ARG   7           HA       ARG   7   1.641  -1.596   2.512
   59    HB2  ARG   7           HB2      ARG   7  -0.761  -2.483   0.915
   60    HB3  ARG   7           HB1      ARG   7  -0.073  -3.613   2.056
   61    HG2  ARG   7           HG2      ARG   7  -0.515  -0.845   3.138
   62    HG3  ARG   7           HG1      ARG   7  -1.961  -1.723   2.672
   63    HD2  ARG   7           HD2      ARG   7  -1.544  -2.103   5.005
   64    HD3  ARG   7           HD1      ARG   7  -1.375  -3.610   4.123
   65    HE   ARG   7           HE       ARG   7   0.783  -1.989   5.388
   66   HH11  ARG   7          HH11      ARG   7   0.004  -4.973   3.734
   67   HH12  ARG   7          HH12      ARG   7   1.570  -5.664   4.051
   68   HH21  ARG   7          HH21      ARG   7   2.684  -3.024   5.931
   69   HH22  ARG   7          HH22      ARG   7   2.961  -4.655   5.385
   70    H    LYS   8           HN       LYS   8   1.926  -2.466  -0.866
   71    HA   LYS   8           HA       LYS   8   3.775  -4.732  -0.198
   72    HB2  LYS   8           HB2      LYS   8   2.462  -3.852  -2.800
   73    HB3  LYS   8           HB1      LYS   8   3.700  -5.109  -2.696
   74    HG2  LYS   8           HG2      LYS   8   2.277  -6.454  -1.203
   75    HG3  LYS   8           HG1      LYS   8   1.002  -5.219  -1.278
   76    HD2  LYS   8           HD2      LYS   8   0.812  -5.516  -3.710
   77    HD3  LYS   8           HD1      LYS   8   2.104  -6.721  -3.705
   78    HE2  LYS   8           HE2      LYS   8  -0.529  -6.990  -2.178
   79    HE3  LYS   8           HE1      LYS   8  -0.265  -7.629  -3.802
   80    HZ1  LYS   8           HZ1      LYS   8   1.505  -9.028  -2.925
   81    HZ2  LYS   8           HZ2      LYS   8   0.111  -9.325  -2.106
   82    HZ3  LYS   8           HZ3      LYS   8   1.299  -8.428  -1.413
   83    H    LEU   9           HN       LEU   9   3.982  -1.400  -0.903
   84    HA   LEU   9           HA       LEU   9   6.748  -1.636  -1.997
   85    HB2  LEU   9           HB2      LEU   9   4.787   0.699  -1.870
   86    HB3  LEU   9           HB1      LEU   9   6.483   0.851  -2.287
   87    HG   LEU   9           HG       LEU   9   6.016  -0.921  -4.146
   88   HD11  LEU   9          HD11      LEU   9   3.203   0.202  -3.739
   89   HD12  LEU   9          HD12      LEU   9   3.671  -1.495  -3.510
   90   HD13  LEU   9          HD13      LEU   9   3.755  -0.770  -5.116
   91   HD21  LEU   9          HD21      LEU   9   6.620   1.419  -4.553
   92   HD22  LEU   9          HD22      LEU   9   4.934   1.926  -4.304
   93   HD23  LEU   9          HD23      LEU   9   5.376   0.900  -5.692
   94    H    ILE  10           HN       ILE  10   5.079  -0.953   0.937
   95    HA   ILE  10           HA       ILE  10   7.511   0.166   2.213
   96    HB   ILE  10           HB       ILE  10   6.084   0.286   4.266
   97   HG12  ILE  10          HG12      ILE  10   3.495   0.443   2.966
   98   HG13  ILE  10          HG11      ILE  10   4.120  -1.168   2.687
   99   HG21  ILE  10          HG21      ILE  10   4.925   2.321   3.486
  100   HG22  ILE  10          HG22      ILE  10   5.195   1.826   1.798
  101   HG23  ILE  10          HG23      ILE  10   6.572   2.207   2.848
  102   HD11  ILE  10          HD3       ILE  10   4.426  -1.502   5.112
  103   HD12  ILE  10          HD1       ILE  10   2.755  -1.040   4.721
  104   HD13  ILE  10          HD2       ILE  10   3.862   0.159   5.415
  105    H    THR  11           HN       THR  11   5.337  -2.426   3.259
  106    HA   THR  11           HA       THR  11   5.605  -4.296   4.442
  107    HB   THR  11           HB       THR  11   7.286  -5.918   3.931
  108    HG1  THR  11           HG1      THR  11   8.603  -3.729   2.856
  109   HG21  THR  11          HG21      THR  11   6.873  -6.145   1.522
  110   HG22  THR  11          HG22      THR  11   6.288  -4.478   1.440
  111   HG23  THR  11          HG23      THR  11   5.397  -5.688   2.393
  112    HN1  NH2  12           H2       NH2  12   7.575  -4.435   7.349
  113    HN2  NH2  12           H1       NH2  12   6.554  -5.415   6.310
  Start of MODEL    8
    1    H1   SER   1           H1       SER   1  -9.065   3.845  -4.157
    2    H2   SER   1           H2       SER   1  -8.414   2.401  -4.591
    3    H3   SER   1           H3       SER   1  -9.799   2.435  -3.685
    4    HA   SER   1           HA       SER   1  -8.581   3.536  -1.892
    5    HB2  SER   1           HB2      SER   1  -7.750   0.729  -2.729
    6    HB3  SER   1           HB1      SER   1  -7.533   1.439  -1.093
    7    HG   SER   1           HG       SER   1  -9.579   0.479  -1.170
    8    H    LEU   2           HN       LEU   2  -6.389   3.548  -0.873
    9    HA   LEU   2           HA       LEU   2  -4.212   3.987  -2.877
   10    HB2  LEU   2           HB2      LEU   2  -5.519   6.089  -2.060
   11    HB3  LEU   2           HB1      LEU   2  -4.775   5.794  -0.502
   12    HG   LEU   2           HG       LEU   2  -2.562   5.643  -2.119
   13   HD11  LEU   2          HD11      LEU   2  -4.364   7.723  -3.444
   14   HD12  LEU   2          HD12      LEU   2  -3.976   6.145  -4.134
   15   HD13  LEU   2          HD13      LEU   2  -2.682   7.309  -3.894
   16   HD21  LEU   2          HD21      LEU   2  -3.615   8.349  -1.237
   17   HD22  LEU   2          HD22      LEU   2  -1.925   7.720  -1.289
   18   HD23  LEU   2          HD23      LEU   2  -3.042   7.132  -0.086
   19    H    LEU   3           HN       LEU   3  -4.852   3.790   0.671
   20    HA   LEU   3           HA       LEU   3  -2.286   2.722   1.336
   21    HB2  LEU   3           HB2      LEU   3  -4.894   2.660   2.917
   22    HB3  LEU   3           HB1      LEU   3  -3.306   2.237   3.519
   23    HG   LEU   3           HG       LEU   3  -2.621   4.681   2.798
   24   HD11  LEU   3          HD11      LEU   3  -5.635   4.945   3.245
   25   HD12  LEU   3          HD12      LEU   3  -4.760   5.369   1.755
   26   HD13  LEU   3          HD13      LEU   3  -4.484   6.289   3.226
   27   HD21  LEU   3          HD21      LEU   3  -3.253   5.451   5.069
   28   HD22  LEU   3          HD22      LEU   3  -2.585   3.814   5.094
   29   HD23  LEU   3          HD23      LEU   3  -4.340   4.054   5.237
   30    H    SER   4           HN       SER   4  -4.465   1.128  -0.505
   31    HA   SER   4           HA       SER   4  -3.968  -1.560   0.697
   32    HB2  SER   4           HB2      SER   4  -6.289  -0.876   0.032
   33    HB3  SER   4           HB1      SER   4  -5.745  -0.895  -1.657
   34    HG   SER   4           HG       SER   4  -6.231  -2.978   0.105
   35    H    LEU   5           HN       LEU   5  -2.670   0.547  -1.658
   36    HA   LEU   5           HA       LEU   5  -1.427  -1.673  -3.227
   37    HB2  LEU   5           HB2      LEU   5  -1.803   1.270  -3.949
   38    HB3  LEU   5           HB1      LEU   5  -0.989   0.049  -4.915
   39    HG   LEU   5           HG       LEU   5  -3.323  -1.253  -4.643
   40   HD11  LEU   5          HD11      LEU   5  -4.414   0.522  -3.237
   41   HD12  LEU   5          HD12      LEU   5  -5.233   0.278  -4.781
   42   HD13  LEU   5          HD13      LEU   5  -4.170   1.683  -4.559
   43   HD21  LEU   5          HD21      LEU   5  -4.032  -0.307  -6.794
   44   HD22  LEU   5          HD22      LEU   5  -2.291  -0.608  -6.781
   45   HD23  LEU   5          HD23      LEU   5  -2.903   1.052  -6.591
   46    H    ILE   6           HN       ILE   6  -0.583   1.558  -1.934
   47    HA   ILE   6           HA       ILE   6   2.215   1.192  -2.204
   48    HB   ILE   6           HB       ILE   6   0.870   3.152  -0.320
   49   HG12  ILE   6          HG12      ILE   6   1.449   3.710  -3.269
   50   HG13  ILE   6          HG11      ILE   6  -0.139   3.197  -2.730
   51   HG21  ILE   6          HG21      ILE   6   3.353   3.064  -0.186
   52   HG22  ILE   6          HG22      ILE   6   2.844   4.581  -0.912
   53   HG23  ILE   6          HG23      ILE   6   3.464   3.283  -1.943
   54   HD11  ILE   6          HD3       ILE   6   1.215   5.766  -1.868
   55   HD12  ILE   6          HD1       ILE   6  -0.333   5.147  -1.245
   56   HD13  ILE   6          HD2       ILE   6  -0.161   5.565  -2.959
   57    H    ARG   7           HN       ARG   7   0.091   0.025   0.282
   58    HA   ARG   7           HA       ARG   7   1.844  -0.321   2.481
   59    HB2  ARG   7           HB2      ARG   7   0.158  -1.713   3.381
   60    HB3  ARG   7           HB1      ARG   7  -0.596  -0.396   2.526
   61    HG2  ARG   7           HG2      ARG   7  -1.858  -1.890   1.410
   62    HG3  ARG   7           HG1      ARG   7  -0.452  -2.470   0.571
   63    HD2  ARG   7           HD2      ARG   7  -1.546  -3.499   3.231
   64    HD3  ARG   7           HD1      ARG   7  -1.798  -4.241   1.660
   65    HE   ARG   7           HE       ARG   7   0.523  -4.852   1.534
   66   HH11  ARG   7          HH11      ARG   7  -0.276  -3.623   4.706
   67   HH12  ARG   7          HH12      ARG   7   1.135  -4.340   5.437
   68   HH21  ARG   7          HH21      ARG   7   2.305  -5.727   2.533
   69   HH22  ARG   7          HH22      ARG   7   2.521  -5.528   4.234
   70    H    LYS   8           HN       LYS   8   1.675  -2.211  -0.439
   71    HA   LYS   8           HA       LYS   8   3.259  -4.484   0.688
   72    HB2  LYS   8           HB2      LYS   8   2.248  -3.892  -2.128
   73    HB3  LYS   8           HB1      LYS   8   3.150  -5.334  -1.650
   74    HG2  LYS   8           HG2      LYS   8   1.317  -5.992  -0.108
   75    HG3  LYS   8           HG1      LYS   8   0.386  -4.562  -0.617
   76    HD2  LYS   8           HD2      LYS   8   0.498  -5.355  -2.980
   77    HD3  LYS   8           HD1      LYS   8   1.344  -6.820  -2.432
   78    HE2  LYS   8           HE2      LYS   8  -0.594  -7.466  -1.074
   79    HE3  LYS   8           HE1      LYS   8  -1.430  -5.959  -1.489
   80    HZ1  LYS   8           HZ1      LYS   8  -2.162  -7.814  -2.875
   81    HZ2  LYS   8           HZ2      LYS   8  -0.640  -8.036  -3.455
   82    HZ3  LYS   8           HZ3      LYS   8  -1.463  -6.649  -3.793
   83    H    LEU   9           HN       LEU   9   3.807  -1.459  -0.880
   84    HA   LEU   9           HA       LEU   9   6.506  -2.199  -1.826
   85    HB2  LEU   9           HB2      LEU   9   4.738   0.272  -1.977
   86    HB3  LEU   9           HB1      LEU   9   6.394   0.294  -2.530
   87    HG   LEU   9           HG       LEU   9   4.474  -1.777  -3.630
   88   HD11  LEU   9          HD11      LEU   9   3.384   0.354  -3.998
   89   HD12  LEU   9          HD12      LEU   9   4.087  -0.201  -5.521
   90   HD13  LEU   9          HD13      LEU   9   4.895   1.082  -4.592
   91   HD21  LEU   9          HD21      LEU   9   6.004  -1.673  -5.563
   92   HD22  LEU   9          HD22      LEU   9   6.903  -2.070  -4.089
   93   HD23  LEU   9          HD23      LEU   9   6.971  -0.425  -4.759
   94    H    ILE  10           HN       ILE  10   5.027  -0.589   0.931
   95    HA   ILE  10           HA       ILE  10   7.646   0.237   2.010
   96    HB   ILE  10           HB       ILE  10   6.323   0.867   4.048
   97   HG12  ILE  10          HG12      ILE  10   3.781   1.199   2.594
   98   HG13  ILE  10          HG11      ILE  10   4.160  -0.494   2.808
   99   HG21  ILE  10          HG21      ILE  10   5.505   2.949   3.001
  100   HG22  ILE  10          HG22      ILE  10   5.660   2.203   1.395
  101   HG23  ILE  10          HG23      ILE  10   7.102   2.480   2.399
  102   HD11  ILE  10          HD3       ILE  10   4.002   1.561   5.039
  103   HD12  ILE  10          HD1       ILE  10   4.406  -0.162   5.249
  104   HD13  ILE  10          HD2       ILE  10   2.801   0.309   4.657
  105    H    THR  11           HN       THR  11   5.129  -1.800   3.508
  106    HA   THR  11           HA       THR  11   5.195  -3.422   5.026
  107    HB   THR  11           HB       THR  11   6.694  -5.309   4.862
  108    HG1  THR  11           HG1      THR  11   8.179  -3.566   3.313
  109   HG21  THR  11          HG21      THR  11   6.165  -5.968   2.531
  110   HG22  THR  11          HG22      THR  11   5.639  -4.312   2.191
  111   HG23  THR  11          HG23      THR  11   4.778  -5.290   3.405
  112    HN1  NH2  12           H2       NH2  12   7.292  -3.311   7.868
  113    HN2  NH2  12           H1       NH2  12   6.185  -4.374   7.019
  Start of MODEL    9
    1    H1   SER   1           H1       SER   1  -9.179   3.252  -4.258
    2    H2   SER   1           H2       SER   1  -8.416   1.841  -4.613
    3    H3   SER   1           H3       SER   1  -9.799   1.811  -3.714
    4    HA   SER   1           HA       SER   1  -8.705   3.058  -1.957
    5    HB2  SER   1           HB2      SER   1  -7.420   0.393  -2.699
    6    HB3  SER   1           HB1      SER   1  -7.472   1.146  -1.068
    7    HG   SER   1           HG       SER   1  -9.308  -0.109  -1.198
    8    H    LEU   2           HN       LEU   2  -6.481   3.256  -0.939
    9    HA   LEU   2           HA       LEU   2  -4.343   3.769  -2.951
   10    HB2  LEU   2           HB2      LEU   2  -5.724   5.869  -2.257
   11    HB3  LEU   2           HB1      LEU   2  -4.978   5.678  -0.677
   12    HG   LEU   2           HG       LEU   2  -2.750   5.483  -2.251
   13   HD11  LEU   2          HD11      LEU   2  -4.583   7.386  -3.777
   14   HD12  LEU   2          HD12      LEU   2  -4.130   5.769  -4.323
   15   HD13  LEU   2          HD13      LEU   2  -2.877   6.993  -4.155
   16   HD21  LEU   2          HD21      LEU   2  -3.888   8.214  -1.597
   17   HD22  LEU   2          HD22      LEU   2  -2.180   7.628  -1.604
   18   HD23  LEU   2          HD23      LEU   2  -3.280   7.105  -0.357
   19    H    LEU   3           HN       LEU   3  -4.998   3.729   0.602
   20    HA   LEU   3           HA       LEU   3  -2.392   2.987   1.404
   21    HB2  LEU   3           HB2      LEU   3  -5.136   2.605   2.687
   22    HB3  LEU   3           HB1      LEU   3  -3.650   2.129   3.475
   23    HG   LEU   3           HG       LEU   3  -4.351   4.205   4.374
   24   HD11  LEU   3          HD11      LEU   3  -1.901   3.852   4.068
   25   HD12  LEU   3          HD12      LEU   3  -2.374   5.557   4.124
   26   HD13  LEU   3          HD13      LEU   3  -1.974   4.809   2.569
   27   HD21  LEU   3          HD21      LEU   3  -4.128   5.534   1.650
   28   HD22  LEU   3          HD22      LEU   3  -4.587   6.271   3.188
   29   HD23  LEU   3          HD23      LEU   3  -5.665   5.085   2.449
   30    H    SER   4           HN       SER   4  -4.840   0.961  -0.042
   31    HA   SER   4           HA       SER   4  -3.734  -1.553   0.879
   32    HB2  SER   4           HB2      SER   4  -5.640  -1.169  -1.434
   33    HB3  SER   4           HB1      SER   4  -5.521  -2.545  -0.322
   34    HG   SER   4           HG       SER   4  -6.501  -1.334   1.247
   35    H    LEU   5           HN       LEU   5  -2.588   0.572  -1.391
   36    HA   LEU   5           HA       LEU   5  -1.403  -1.507  -3.199
   37    HB2  LEU   5           HB2      LEU   5  -2.013   1.456  -3.570
   38    HB3  LEU   5           HB1      LEU   5  -1.107   0.503  -4.735
   39    HG   LEU   5           HG       LEU   5  -3.902  -0.351  -3.869
   40   HD11  LEU   5          HD11      LEU   5  -4.088   1.970  -4.645
   41   HD12  LEU   5          HD12      LEU   5  -4.818   0.840  -5.794
   42   HD13  LEU   5          HD13      LEU   5  -3.227   1.552  -6.142
   43   HD21  LEU   5          HD21      LEU   5  -2.326  -0.767  -6.446
   44   HD22  LEU   5          HD22      LEU   5  -3.924  -1.439  -6.061
   45   HD23  LEU   5          HD23      LEU   5  -2.503  -1.973  -5.148
   46    H    ILE   6           HN       ILE   6  -0.634   1.668  -1.730
   47    HA   ILE   6           HA       ILE   6   2.179   1.409  -2.041
   48    HB   ILE   6           HB       ILE   6   0.750   3.199  -0.050
   49   HG12  ILE   6          HG12      ILE   6   1.397   4.012  -2.921
   50   HG13  ILE   6          HG11      ILE   6  -0.176   3.359  -2.511
   51   HG21  ILE   6          HG21      ILE   6   3.376   3.515  -1.596
   52   HG22  ILE   6          HG22      ILE   6   3.232   3.177   0.140
   53   HG23  ILE   6          HG23      ILE   6   2.692   4.723  -0.498
   54   HD11  ILE   6          HD3       ILE   6  -0.285   5.761  -2.538
   55   HD12  ILE   6          HD1       ILE   6   0.970   5.893  -1.298
   56   HD13  ILE   6          HD2       ILE   6  -0.597   5.147  -0.904
   57    H    ARG   7           HN       ARG   7   0.081   0.101   0.487
   58    HA   ARG   7           HA       ARG   7   2.084  -0.324   2.466
   59    HB2  ARG   7           HB2      ARG   7   0.508  -1.528   3.659
   60    HB3  ARG   7           HB1      ARG   7  -0.311  -0.237   2.860
   61    HG2  ARG   7           HG2      ARG   7  -1.799  -2.013   2.589
   62    HG3  ARG   7           HG1      ARG   7  -0.995  -1.972   1.026
   63    HD2  ARG   7           HD2      ARG   7  -1.392  -4.263   1.986
   64    HD3  ARG   7           HD1      ARG   7   0.281  -3.952   1.555
   65    HE   ARG   7           HE       ARG   7  -0.698  -3.585   4.355
   66   HH11  ARG   7          HH11      ARG   7   1.622  -5.160   2.261
   67   HH12  ARG   7          HH12      ARG   7   2.680  -5.556   3.572
   68   HH21  ARG   7          HH21      ARG   7   0.772  -4.010   5.958
   69   HH22  ARG   7          HH22      ARG   7   2.169  -4.989   5.617
   70    H    LYS   8           HN       LYS   8   1.556  -2.108  -0.439
   71    HA   LYS   8           HA       LYS   8   3.044  -4.538   0.444
   72    HB2  LYS   8           HB2      LYS   8   2.108  -3.605  -2.307
   73    HB3  LYS   8           HB1      LYS   8   2.891  -5.149  -1.955
   74    HG2  LYS   8           HG2      LYS   8   0.993  -5.783  -0.474
   75    HG3  LYS   8           HG1      LYS   8   0.177  -4.256  -0.890
   76    HD2  LYS   8           HD2      LYS   8   0.245  -4.894  -3.300
   77    HD3  LYS   8           HD1      LYS   8   0.996  -6.446  -2.851
   78    HE2  LYS   8           HE2      LYS   8  -0.967  -7.004  -1.472
   79    HE3  LYS   8           HE1      LYS   8  -1.723  -5.453  -1.872
   80    HZ1  LYS   8           HZ1      LYS   8  -2.532  -7.291  -3.271
   81    HZ2  LYS   8           HZ2      LYS   8  -1.022  -7.536  -3.869
   82    HZ3  LYS   8           HZ3      LYS   8  -1.816  -6.126  -4.177
   83    H    LEU   9           HN       LEU   9   3.750  -1.415  -0.802
   84    HA   LEU   9           HA       LEU   9   6.392  -2.162  -1.861
   85    HB2  LEU   9           HB2      LEU   9   4.611   0.291  -1.785
   86    HB3  LEU   9           HB1      LEU   9   6.275   0.482  -2.209
   87    HG   LEU   9           HG       LEU   9   4.511  -1.525  -3.659
   88   HD11  LEU   9          HD11      LEU   9   4.231   0.243  -5.393
   89   HD12  LEU   9          HD12      LEU   9   4.967   1.423  -4.284
   90   HD13  LEU   9          HD13      LEU   9   3.428   0.635  -3.868
   91   HD21  LEU   9          HD21      LEU   9   6.969  -1.758  -3.991
   92   HD22  LEU   9          HD22      LEU   9   7.062  -0.052  -4.473
   93   HD23  LEU   9          HD23      LEU   9   6.165  -1.215  -5.467
   94    H    ILE  10           HN       ILE  10   5.053  -0.563   1.032
   95    HA   ILE  10           HA       ILE  10   7.747  -0.093   2.123
   96    HB   ILE  10           HB       ILE  10   6.476   0.537   4.218
   97   HG12  ILE  10          HG12      ILE  10   4.016   1.133   2.650
   98   HG13  ILE  10          HG11      ILE  10   4.232  -0.572   2.987
   99   HG21  ILE  10          HG21      ILE  10   5.891   2.757   3.288
  100   HG22  ILE  10          HG22      ILE  10   6.015   2.096   1.643
  101   HG23  ILE  10          HG23      ILE  10   7.450   2.164   2.691
  102   HD11  ILE  10          HD3       ILE  10   2.884   0.492   4.716
  103   HD12  ILE  10          HD1       ILE  10   4.215   1.606   5.099
  104   HD13  ILE  10          HD2       ILE  10   4.397  -0.144   5.391
  105    H    THR  11           HN       THR  11   5.040  -2.136   3.283
  106    HA   THR  11           HA       THR  11   4.932  -3.851   4.714
  107    HB   THR  11           HB       THR  11   6.410  -5.748   4.511
  108    HG1  THR  11           HG1      THR  11   8.082  -3.894   3.316
  109   HG21  THR  11          HG21      THR  11   5.680  -4.471   1.855
  110   HG22  THR  11          HG22      THR  11   4.673  -5.541   2.857
  111   HG23  THR  11          HG23      THR  11   6.143  -6.162   2.085
  112    HN1  NH2  12           H2       NH2  12   6.964  -4.161   7.670
  113    HN2  NH2  12           H1       NH2  12   6.177  -5.243   6.539
  Start of MODEL   10
    1    H1   SER   1           H1       SER   1  -9.030   3.261  -3.674
    2    H2   SER   1           H2       SER   1  -8.845   1.702  -3.213
    3    H3   SER   1           H3       SER   1 -10.111   2.590  -2.622
    4    HA   SER   1           HA       SER   1  -8.588   4.044  -1.449
    5    HB2  SER   1           HB2      SER   1  -9.459   2.030  -0.290
    6    HB3  SER   1           HB1      SER   1  -8.049   1.102  -0.863
    7    HG   SER   1           HG       SER   1  -7.946   2.125   1.298
    8    H    LEU   2           HN       LEU   2  -6.418   4.672  -1.022
    9    HA   LEU   2           HA       LEU   2  -4.393   3.662  -2.981
   10    HB2  LEU   2           HB2      LEU   2  -4.600   6.164  -1.269
   11    HB3  LEU   2           HB1      LEU   2  -3.130   5.725  -2.131
   12    HG   LEU   2           HG       LEU   2  -5.759   5.969  -3.635
   13   HD11  LEU   2          HD11      LEU   2  -5.168   8.297  -4.150
   14   HD12  LEU   2          HD12      LEU   2  -3.792   8.218  -3.030
   15   HD13  LEU   2          HD13      LEU   2  -5.461   8.085  -2.423
   16   HD21  LEU   2          HD21      LEU   2  -3.803   4.932  -4.801
   17   HD22  LEU   2          HD22      LEU   2  -2.848   6.392  -4.473
   18   HD23  LEU   2          HD23      LEU   2  -4.274   6.474  -5.524
   19    H    LEU   3           HN       LEU   3  -4.938   4.012   0.533
   20    HA   LEU   3           HA       LEU   3  -2.340   3.256   1.417
   21    HB2  LEU   3           HB2      LEU   3  -5.108   3.020   2.661
   22    HB3  LEU   3           HB1      LEU   3  -3.632   2.669   3.549
   23    HG   LEU   3           HG       LEU   3  -3.985   5.370   2.198
   24   HD11  LEU   3          HD11      LEU   3  -4.874   6.253   4.313
   25   HD12  LEU   3          HD12      LEU   3  -4.955   4.607   4.978
   26   HD13  LEU   3          HD13      LEU   3  -5.973   5.069   3.594
   27   HD21  LEU   3          HD21      LEU   3  -2.465   6.119   3.976
   28   HD22  LEU   3          HD22      LEU   3  -1.731   4.773   3.087
   29   HD23  LEU   3          HD23      LEU   3  -2.452   4.494   4.685
   30    H    SER   4           HN       SER   4  -5.005   1.264   0.278
   31    HA   SER   4           HA       SER   4  -3.865  -1.256   1.189
   32    HB2  SER   4           HB2      SER   4  -6.331  -0.712   0.856
   33    HB3  SER   4           HB1      SER   4  -6.046  -0.929  -0.879
   34    HG   SER   4           HG       SER   4  -5.820  -2.804   1.242
   35    H    LEU   5           HN       LEU   5  -2.660   0.755  -1.057
   36    HA   LEU   5           HA       LEU   5  -1.688  -1.415  -2.872
   37    HB2  LEU   5           HB2      LEU   5  -3.328   0.407  -3.682
   38    HB3  LEU   5           HB1      LEU   5  -1.972   1.520  -3.618
   39    HG   LEU   5           HG       LEU   5  -1.776  -1.103  -5.155
   40   HD11  LEU   5          HD11      LEU   5  -2.976   1.511  -6.161
   41   HD12  LEU   5          HD12      LEU   5  -3.844  -0.017  -5.900
   42   HD13  LEU   5          HD13      LEU   5  -2.605   0.083  -7.157
   43   HD21  LEU   5          HD21      LEU   5   0.315   0.219  -4.922
   44   HD22  LEU   5          HD22      LEU   5  -0.512   1.643  -5.599
   45   HD23  LEU   5          HD23      LEU   5  -0.250   0.200  -6.596
   46    H    ILE   6           HN       ILE   6  -0.766   1.758  -1.415
   47    HA   ILE   6           HA       ILE   6   2.011   1.409  -1.964
   48    HB   ILE   6           HB       ILE   6   1.166   3.087   0.373
   49   HG12  ILE   6          HG12      ILE   6  -0.563   3.749  -1.102
   50   HG13  ILE   6          HG11      ILE   6   0.633   5.002  -1.090
   51   HG21  ILE   6          HG21      ILE   6   2.873   4.633  -0.561
   52   HG22  ILE   6          HG22      ILE   6   3.160   3.504  -1.900
   53   HG23  ILE   6          HG23      ILE   6   3.543   3.033  -0.231
   54   HD11  ILE   6          HD3       ILE   6   1.439   4.345  -3.324
   55   HD12  ILE   6          HD1       ILE   6  -0.310   4.630  -3.339
   56   HD13  ILE   6          HD2       ILE   6   0.308   2.978  -3.358
   57    H    ARG   7           HN       ARG   7   0.065  -0.054   0.505
   58    HA   ARG   7           HA       ARG   7   1.950  -0.633   2.510
   59    HB2  ARG   7           HB2      ARG   7   0.357  -2.150   3.357
   60    HB3  ARG   7           HB1      ARG   7  -0.453  -0.744   2.739
   61    HG2  ARG   7           HG2      ARG   7  -1.821  -2.042   1.577
   62    HG3  ARG   7           HG1      ARG   7  -0.506  -2.552   0.542
   63    HD2  ARG   7           HD2      ARG   7  -1.331  -3.894   3.168
   64    HD3  ARG   7           HD1      ARG   7  -1.838  -4.407   1.566
   65    HE   ARG   7           HE       ARG   7   0.358  -5.144   1.048
   66   HH11  ARG   7          HH11      ARG   7   0.322  -4.010   4.382
   67   HH12  ARG   7          HH12      ARG   7   1.938  -4.632   4.635
   68   HH21  ARG   7          HH21      ARG   7   2.375  -6.012   1.611
   69   HH22  ARG   7          HH22      ARG   7   2.973  -5.705   3.172
   70    H    LYS   8           HN       LYS   8   1.546  -2.282  -0.559
   71    HA   LYS   8           HA       LYS   8   3.292  -4.581   0.182
   72    HB2  LYS   8           HB2      LYS   8   2.029  -3.716  -2.463
   73    HB3  LYS   8           HB1      LYS   8   3.032  -5.153  -2.250
   74    HG2  LYS   8           HG2      LYS   8   1.395  -6.087  -0.640
   75    HG3  LYS   8           HG1      LYS   8   0.361  -4.660  -0.865
   76    HD2  LYS   8           HD2      LYS   8   0.114  -5.165  -3.250
   77    HD3  LYS   8           HD1      LYS   8   1.165  -6.575  -3.106
   78    HE2  LYS   8           HE2      LYS   8  -1.458  -6.228  -1.572
   79    HE3  LYS   8           HE1      LYS   8  -1.351  -7.002  -3.151
   80    HZ1  LYS   8           HZ1      LYS   8   0.077  -7.965  -0.735
   81    HZ2  LYS   8           HZ2      LYS   8   0.139  -8.654  -2.222
   82    HZ3  LYS   8           HZ3      LYS   8  -1.273  -8.638  -1.384
   83    H    LEU   9           HN       LEU   9   3.712  -1.384  -1.074
   84    HA   LEU   9           HA       LEU   9   6.426  -1.939  -2.110
   85    HB2  LEU   9           HB2      LEU   9   4.643   0.515  -1.956
   86    HB3  LEU   9           HB1      LEU   9   6.285   0.586  -2.563
   87    HG   LEU   9           HG       LEU   9   4.338  -1.373  -3.823
   88   HD11  LEU   9          HD11      LEU   9   3.131   0.721  -3.837
   89   HD12  LEU   9          HD12      LEU   9   3.767   0.425  -5.456
   90   HD13  LEU   9          HD13      LEU   9   4.568   1.610  -4.398
   91   HD21  LEU   9          HD21      LEU   9   6.744  -1.474  -4.455
   92   HD22  LEU   9          HD22      LEU   9   6.690   0.246  -4.916
   93   HD23  LEU   9          HD23      LEU   9   5.732  -0.949  -5.806
   94    H    ILE  10           HN       ILE  10   5.105  -1.309   0.916
   95    HA   ILE  10           HA       ILE  10   7.725  -0.350   1.984
   96    HB   ILE  10           HB       ILE  10   6.484   0.562   3.931
   97   HG12  ILE  10          HG12      ILE  10   3.997   1.246   3.240
   98   HG13  ILE  10          HG11      ILE  10   4.058  -0.257   2.343
   99   HG21  ILE  10          HG21      ILE  10   5.730   1.763   1.243
  100   HG22  ILE  10          HG22      ILE  10   7.287   1.969   2.090
  101   HG23  ILE  10          HG23      ILE  10   5.802   2.606   2.804
  102   HD11  ILE  10          HD3       ILE  10   4.366  -1.523   4.375
  103   HD12  ILE  10          HD1       ILE  10   3.015  -0.424   4.606
  104   HD13  ILE  10          HD2       ILE  10   4.587  -0.037   5.331
  105    H    THR  11           HN       THR  11   5.326  -2.922   2.265
  106    HA   THR  11           HA       THR  11   7.228  -4.303   4.096
  107    HB   THR  11           HB       THR  11   5.319  -5.382   5.286
  108    HG1  THR  11           HG1      THR  11   3.916  -3.465   3.830
  109   HG21  THR  11          HG21      THR  11   4.730  -3.335   6.726
  110   HG22  THR  11          HG22      THR  11   5.876  -2.442   5.704
  111   HG23  THR  11          HG23      THR  11   6.425  -3.841   6.621
  112    HN1  NH2  12           H2       NH2  12   6.822  -7.212   2.223
  113    HN2  NH2  12           H1       NH2  12   7.761  -6.301   3.391
  Start of MODEL   11
    1    H1   SER   1           H1       SER   1  -8.763   4.311  -3.833
    2    H2   SER   1           H2       SER   1  -8.426   2.712  -3.987
    3    H3   SER   1           H3       SER   1  -9.717   3.188  -3.071
    4    HA   SER   1           HA       SER   1  -8.196   4.331  -1.554
    5    HB2  SER   1           HB2      SER   1  -7.947   1.326  -1.920
    6    HB3  SER   1           HB1      SER   1  -7.524   2.221  -0.429
    7    HG   SER   1           HG       SER   1  -9.700   1.386  -0.529
    8    H    LEU   2           HN       LEU   2  -5.968   4.341  -0.732
    9    HA   LEU   2           HA       LEU   2  -3.878   3.854  -2.838
   10    HB2  LEU   2           HB2      LEU   2  -4.156   6.108  -0.797
   11    HB3  LEU   2           HB1      LEU   2  -2.654   5.724  -1.600
   12    HG   LEU   2           HG       LEU   2  -3.562   7.596  -2.657
   13   HD11  LEU   2          HD11      LEU   2  -3.638   6.943  -4.976
   14   HD12  LEU   2          HD12      LEU   2  -4.095   5.293  -4.556
   15   HD13  LEU   2          HD13      LEU   2  -2.480   5.877  -4.133
   16   HD21  LEU   2          HD21      LEU   2  -6.097   6.124  -3.416
   17   HD22  LEU   2          HD22      LEU   2  -5.676   7.803  -3.734
   18   HD23  LEU   2          HD23      LEU   2  -5.970   7.287  -2.068
   19    H    LEU   3           HN       LEU   3  -4.540   3.863   0.684
   20    HA   LEU   3           HA       LEU   3  -2.028   2.808   1.484
   21    HB2  LEU   3           HB2      LEU   3  -4.754   2.664   2.859
   22    HB3  LEU   3           HB1      LEU   3  -3.220   2.201   3.570
   23    HG   LEU   3           HG       LEU   3  -2.450   4.653   3.013
   24   HD11  LEU   3          HD11      LEU   3  -5.488   4.979   3.126
   25   HD12  LEU   3          HD12      LEU   3  -4.433   5.429   1.759
   26   HD13  LEU   3          HD13      LEU   3  -4.313   6.294   3.282
   27   HD21  LEU   3          HD21      LEU   3  -2.683   3.737   5.278
   28   HD22  LEU   3          HD22      LEU   3  -4.436   4.033   5.240
   29   HD23  LEU   3          HD23      LEU   3  -3.292   5.395   5.213
   30    H    SER   4           HN       SER   4  -4.645   1.176  -0.107
   31    HA   SER   4           HA       SER   4  -3.954  -1.503   0.833
   32    HB2  SER   4           HB2      SER   4  -5.721  -2.146  -0.839
   33    HB3  SER   4           HB1      SER   4  -6.249  -0.997   0.403
   34    HG   SER   4           HG       SER   4  -5.989  -0.661  -2.312
   35    H    LEU   5           HN       LEU   5  -2.544   0.550  -1.451
   36    HA   LEU   5           HA       LEU   5  -1.485  -1.741  -3.081
   37    HB2  LEU   5           HB2      LEU   5  -1.770   1.199  -3.866
   38    HB3  LEU   5           HB1      LEU   5  -0.981  -0.060  -4.804
   39    HG   LEU   5           HG       LEU   5  -3.356  -1.290  -4.524
   40   HD11  LEU   5          HD11      LEU   5  -5.220   0.255  -4.621
   41   HD12  LEU   5          HD12      LEU   5  -4.138   1.660  -4.601
   42   HD13  LEU   5          HD13      LEU   5  -4.297   0.659  -3.162
   43   HD21  LEU   5          HD21      LEU   5  -2.293  -0.715  -6.678
   44   HD22  LEU   5          HD22      LEU   5  -2.859   0.963  -6.518
   45   HD23  LEU   5          HD23      LEU   5  -4.027  -0.364  -6.697
   46    H    ILE   6           HN       ILE   6  -0.556   1.490  -1.863
   47    HA   ILE   6           HA       ILE   6   2.225   1.111  -2.208
   48    HB   ILE   6           HB       ILE   6   0.963   3.023  -0.222
   49   HG12  ILE   6          HG12      ILE   6   1.463   3.718  -3.153
   50   HG13  ILE   6          HG11      ILE   6  -0.104   3.143  -2.624
   51   HG21  ILE   6          HG21      ILE   6   3.450   2.910  -0.180
   52   HG22  ILE   6          HG22      ILE   6   2.929   4.455  -0.837
   53   HG23  ILE   6          HG23      ILE   6   3.500   3.185  -1.931
   54   HD11  ILE   6          HD3       ILE   6   1.225   5.685  -1.645
   55   HD12  ILE   6          HD1       ILE   6  -0.285   4.999  -0.996
   56   HD13  ILE   6          HD2       ILE   6  -0.196   5.516  -2.689
   57    H    ARG   7           HN       ARG   7   0.157  -0.029   0.399
   58    HA   ARG   7           HA       ARG   7   2.064  -0.479   2.414
   59    HB2  ARG   7           HB2      ARG   7   0.518  -1.873   3.471
   60    HB3  ARG   7           HB1      ARG   7  -0.267  -0.495   2.791
   61    HG2  ARG   7           HG2      ARG   7  -1.771  -2.243   2.410
   62    HG3  ARG   7           HG1      ARG   7  -1.037  -1.981   0.834
   63    HD2  ARG   7           HD2      ARG   7  -1.423  -4.382   1.497
   64    HD3  ARG   7           HD1      ARG   7   0.218  -4.002   0.994
   65    HE   ARG   7           HE       ARG   7  -0.507  -4.044   3.892
   66   HH11  ARG   7          HH11      ARG   7   1.505  -5.427   1.382
   67   HH12  ARG   7          HH12      ARG   7   2.795  -5.750   2.513
   68   HH21  ARG   7          HH21      ARG   7   1.222  -4.534   5.221
   69   HH22  ARG   7          HH22      ARG   7   2.606  -5.299   4.552
   70    H    LYS   8           HN       LYS   8   1.727  -2.223  -0.558
   71    HA   LYS   8           HA       LYS   8   3.349  -4.554   0.324
   72    HB2  LYS   8           HB2      LYS   8   2.441  -3.705  -2.466
   73    HB3  LYS   8           HB1      LYS   8   3.276  -5.202  -2.045
   74    HG2  LYS   8           HG2      LYS   8   1.303  -5.777  -0.536
   75    HG3  LYS   8           HG1      LYS   8   0.453  -4.387  -1.251
   76    HD2  LYS   8           HD2      LYS   8   0.747  -5.389  -3.508
   77    HD3  LYS   8           HD1      LYS   8   1.576  -6.780  -2.774
   78    HE2  LYS   8           HE2      LYS   8  -0.479  -7.275  -1.440
   79    HE3  LYS   8           HE1      LYS   8  -1.302  -5.916  -2.224
   80    HZ1  LYS   8           HZ1      LYS   8  -0.979  -7.043  -4.354
   81    HZ2  LYS   8           HZ2      LYS   8  -1.823  -8.004  -3.333
   82    HZ3  LYS   8           HZ3      LYS   8  -0.234  -8.311  -3.623
   83    H    LEU   9           HN       LEU   9   3.944  -1.401  -1.125
   84    HA   LEU   9           HA       LEU   9   6.720  -2.132  -1.812
   85    HB2  LEU   9           HB2      LEU   9   5.203   0.500  -2.084
   86    HB3  LEU   9           HB1      LEU   9   6.880   0.233  -2.527
   87    HG   LEU   9           HG       LEU   9   5.935  -1.694  -4.066
   88   HD11  LEU   9          HD11      LEU   9   3.539  -1.498  -3.383
   89   HD12  LEU   9          HD12      LEU   9   3.765  -1.086  -5.081
   90   HD13  LEU   9          HD13      LEU   9   3.545   0.205  -3.887
   91   HD21  LEU   9          HD21      LEU   9   5.749  -0.029  -5.897
   92   HD22  LEU   9          HD22      LEU   9   7.143   0.276  -4.859
   93   HD23  LEU   9          HD23      LEU   9   5.673   1.278  -4.695
   94    H    ILE  10           HN       ILE  10   5.220  -1.366   1.039
   95    HA   ILE  10           HA       ILE  10   7.769  -0.328   2.209
   96    HB   ILE  10           HB       ILE  10   6.430   0.710   4.015
   97   HG12  ILE  10          HG12      ILE  10   3.973   1.330   2.975
   98   HG13  ILE  10          HG11      ILE  10   4.134  -0.318   2.406
   99   HG21  ILE  10          HG21      ILE  10   5.857   1.761   1.218
  100   HG22  ILE  10          HG22      ILE  10   7.366   1.993   2.139
  101   HG23  ILE  10          HG23      ILE  10   5.854   2.692   2.731
  102   HD11  ILE  10          HD3       ILE  10   4.421  -1.100   4.724
  103   HD12  ILE  10          HD1       ILE  10   2.926  -0.182   4.548
  104   HD13  ILE  10          HD2       ILE  10   4.337   0.577   5.309
  105    H    THR  11           HN       THR  11   5.240  -2.827   2.610
  106    HA   THR  11           HA       THR  11   7.175  -4.201   4.385
  107    HB   THR  11           HB       THR  11   5.384  -4.937   5.949
  108    HG1  THR  11           HG1      THR  11   3.981  -3.064   4.449
  109   HG21  THR  11          HG21      THR  11   5.258  -2.884   7.319
  110   HG22  THR  11          HG22      THR  11   5.989  -1.957   6.000
  111   HG23  THR  11          HG23      THR  11   6.902  -3.258   6.768
  112    HN1  NH2  12           H2       NH2  12   6.259  -7.210   2.902
  113    HN2  NH2  12           H1       NH2  12   7.466  -6.251   3.738
  Start of MODEL   12
    1    H1   SER   1           H1       SER   1  -8.187   3.844  -4.389
    2    H2   SER   1           H2       SER   1  -7.592   2.317  -4.529
    3    H3   SER   1           H3       SER   1  -9.044   2.562  -3.779
    4    HA   SER   1           HA       SER   1  -7.941   3.839  -2.044
    5    HB2  SER   1           HB2      SER   1  -7.048   0.959  -2.435
    6    HB3  SER   1           HB1      SER   1  -7.053   1.863  -0.887
    7    HG   SER   1           HG       SER   1  -8.989   0.692  -1.191
    8    H    LEU   2           HN       LEU   2  -5.907   4.185  -0.921
    9    HA   LEU   2           HA       LEU   2  -3.470   4.154  -2.680
   10    HB2  LEU   2           HB2      LEU   2  -4.433   6.121  -0.568
   11    HB3  LEU   2           HB1      LEU   2  -2.784   6.117  -1.175
   12    HG   LEU   2           HG       LEU   2  -5.149   6.371  -3.078
   13   HD11  LEU   2          HD11      LEU   2  -5.377   8.165  -1.433
   14   HD12  LEU   2          HD12      LEU   2  -4.829   8.815  -2.980
   15   HD13  LEU   2          HD13      LEU   2  -3.672   8.616  -1.642
   16   HD21  LEU   2          HD21      LEU   2  -2.913   5.865  -4.069
   17   HD22  LEU   2          HD22      LEU   2  -2.252   7.309  -3.266
   18   HD23  LEU   2          HD23      LEU   2  -3.501   7.468  -4.521
   19    H    LEU   3           HN       LEU   3  -4.465   4.100   0.765
   20    HA   LEU   3           HA       LEU   3  -2.136   2.818   1.793
   21    HB2  LEU   3           HB2      LEU   3  -4.986   3.068   2.827
   22    HB3  LEU   3           HB1      LEU   3  -3.655   2.468   3.801
   23    HG   LEU   3           HG       LEU   3  -3.530   5.232   2.542
   24   HD11  LEU   3          HD11      LEU   3  -4.344   6.111   4.693
   25   HD12  LEU   3          HD12      LEU   3  -4.651   4.452   5.261
   26   HD13  LEU   3          HD13      LEU   3  -5.572   5.118   3.894
   27   HD21  LEU   3          HD21      LEU   3  -2.179   3.994   4.984
   28   HD22  LEU   3          HD22      LEU   3  -1.950   5.650   4.388
   29   HD23  LEU   3          HD23      LEU   3  -1.399   4.278   3.414
   30    H    SER   4           HN       SER   4  -4.167   1.408  -0.311
   31    HA   SER   4           HA       SER   4  -3.941  -1.341   0.843
   32    HB2  SER   4           HB2      SER   4  -5.886  -0.549  -1.300
   33    HB3  SER   4           HB1      SER   4  -5.907  -1.970  -0.243
   34    HG   SER   4           HG       SER   4  -6.368  -0.602   1.499
   35    H    LEU   5           HN       LEU   5  -2.536   0.673  -1.396
   36    HA   LEU   5           HA       LEU   5  -1.574  -1.591  -3.115
   37    HB2  LEU   5           HB2      LEU   5  -2.361   1.258  -3.847
   38    HB3  LEU   5           HB1      LEU   5  -1.083   0.427  -4.718
   39    HG   LEU   5           HG       LEU   5  -2.797  -1.515  -5.040
   40   HD11  LEU   5          HD11      LEU   5  -4.708   0.819  -4.582
   41   HD12  LEU   5          HD12      LEU   5  -4.592  -0.635  -3.555
   42   HD13  LEU   5          HD13      LEU   5  -5.132  -0.782  -5.226
   43   HD21  LEU   5          HD21      LEU   5  -3.123   1.149  -6.483
   44   HD22  LEU   5          HD22      LEU   5  -3.627  -0.444  -7.093
   45   HD23  LEU   5          HD23      LEU   5  -1.912  -0.101  -6.844
   46    H    ILE   6           HN       ILE   6  -0.741   1.690  -1.911
   47    HA   ILE   6           HA       ILE   6   2.067   1.363  -2.259
   48    HB   ILE   6           HB       ILE   6   0.720   3.298  -0.350
   49   HG12  ILE   6          HG12      ILE   6   1.246   3.914  -3.298
   50   HG13  ILE   6          HG11      ILE   6  -0.315   3.328  -2.766
   51   HG21  ILE   6          HG21      ILE   6   3.207   3.262  -0.266
   52   HG22  ILE   6          HG22      ILE   6   2.648   4.771  -0.976
   53   HG23  ILE   6          HG23      ILE   6   3.278   3.490  -2.024
   54   HD11  ILE   6          HD3       ILE   6  -0.516   5.238  -1.181
   55   HD12  ILE   6          HD1       ILE   6  -0.489   5.670  -2.899
   56   HD13  ILE   6          HD2       ILE   6   0.951   5.937  -1.907
   57    H    ARG   7           HN       ARG   7  -0.037   0.160   0.227
   58    HA   ARG   7           HA       ARG   7   1.773  -0.215   2.390
   59    HB2  ARG   7           HB2      ARG   7   0.129  -1.551   3.373
   60    HB3  ARG   7           HB1      ARG   7  -0.642  -0.223   2.551
   61    HG2  ARG   7           HG2      ARG   7  -2.012  -1.671   1.587
   62    HG3  ARG   7           HG1      ARG   7  -0.719  -2.294   0.611
   63    HD2  ARG   7           HD2      ARG   7  -1.481  -3.317   3.397
   64    HD3  ARG   7           HD1      ARG   7  -2.139  -3.956   1.901
   65    HE   ARG   7           HE       ARG   7  -0.068  -4.918   1.313
   66   HH11  ARG   7          HH11      ARG   7   0.187  -3.442   4.491
   67   HH12  ARG   7          HH12      ARG   7   1.779  -4.131   4.731
   68   HH21  ARG   7          HH21      ARG   7   1.894  -5.898   1.852
   69   HH22  ARG   7          HH22      ARG   7   2.700  -5.394   3.281
   70    H    LYS   8           HN       LYS   8   1.272  -2.154  -0.484
   71    HA   LYS   8           HA       LYS   8   2.809  -4.479   0.520
   72    HB2  LYS   8           HB2      LYS   8   0.693  -4.333  -1.163
   73    HB3  LYS   8           HB1      LYS   8   1.975  -4.129  -2.358
   74    HG2  LYS   8           HG2      LYS   8   3.001  -6.287  -1.530
   75    HG3  LYS   8           HG1      LYS   8   1.649  -6.446  -0.390
   76    HD2  LYS   8           HD2      LYS   8   0.051  -6.463  -2.309
   77    HD3  LYS   8           HD1      LYS   8   1.425  -6.346  -3.431
   78    HE2  LYS   8           HE2      LYS   8   2.335  -8.481  -2.516
   79    HE3  LYS   8           HE1      LYS   8   0.946  -8.603  -1.428
   80    HZ1  LYS   8           HZ1      LYS   8   0.797  -8.600  -4.392
   81    HZ2  LYS   8           HZ2      LYS   8  -0.497  -8.709  -3.389
   82    HZ3  LYS   8           HZ3      LYS   8   0.614  -9.919  -3.437
   83    H    LEU   9           HN       LEU   9   3.499  -1.516  -0.913
   84    HA   LEU   9           HA       LEU   9   6.148  -2.333  -1.957
   85    HB2  LEU   9           HB2      LEU   9   4.407   0.159  -2.055
   86    HB3  LEU   9           HB1      LEU   9   6.077   0.206  -2.557
   87    HG   LEU   9           HG       LEU   9   4.162  -1.792  -3.798
   88   HD11  LEU   9          HD11      LEU   9   4.756   1.072  -4.658
   89   HD12  LEU   9          HD12      LEU   9   3.190   0.421  -4.116
   90   HD13  LEU   9          HD13      LEU   9   3.895  -0.145  -5.633
   91   HD21  LEU   9          HD21      LEU   9   6.828  -0.530  -4.616
   92   HD22  LEU   9          HD22      LEU   9   5.839  -1.543  -5.663
   93   HD23  LEU   9          HD23      LEU   9   6.536  -2.233  -4.194
   94    H    ILE  10           HN       ILE  10   4.773  -0.989   0.932
   95    HA   ILE  10           HA       ILE  10   7.476  -0.205   1.919
   96    HB   ILE  10           HB       ILE  10   6.290   0.937   3.775
   97   HG12  ILE  10          HG12      ILE  10   3.824   1.624   3.082
   98   HG13  ILE  10          HG11      ILE  10   3.832   0.074   2.267
   99   HG21  ILE  10          HG21      ILE  10   5.548   1.874   0.976
  100   HG22  ILE  10          HG22      ILE  10   7.110   2.129   1.793
  101   HG23  ILE  10          HG23      ILE  10   5.644   2.874   2.440
  102   HD11  ILE  10          HD3       ILE  10   4.347   0.458   5.236
  103   HD12  ILE  10          HD1       ILE  10   4.155  -1.088   4.371
  104   HD13  ILE  10          HD2       ILE  10   2.790   0.012   4.510
  105    H    THR  11           HN       THR  11   5.149  -2.760   2.308
  106    HA   THR  11           HA       THR  11   6.977  -3.987   4.303
  107    HB   THR  11           HB       THR  11   5.016  -4.962   5.536
  108    HG1  THR  11           HG1      THR  11   3.702  -3.055   3.975
  109   HG21  THR  11          HG21      THR  11   5.580  -2.000   5.779
  110   HG22  THR  11          HG22      THR  11   6.186  -3.345   6.743
  111   HG23  THR  11          HG23      THR  11   4.479  -2.874   6.863
  112    HN1  NH2  12           H2       NH2  12   6.491  -7.070   2.734
  113    HN2  NH2  12           H1       NH2  12   7.446  -6.074   3.818
  Start of MODEL   13
    1    H1   SER   1           H1       SER   1  -6.971   7.036   2.159
    2    H2   SER   1           H2       SER   1  -6.379   8.286   1.271
    3    H3   SER   1           H3       SER   1  -8.009   8.144   1.488
    4    HA   SER   1           HA       SER   1  -7.996   6.048   0.287
    5    HB2  SER   1           HB2      SER   1  -6.960   8.447  -1.276
    6    HB3  SER   1           HB1      SER   1  -7.939   7.089  -1.904
    7    HG   SER   1           HG       SER   1  -9.327   8.796  -1.311
    8    H    LEU   2           HN       LEU   2  -6.819   4.803  -1.402
    9    HA   LEU   2           HA       LEU   2  -5.136   3.501  -2.059
   10    HB2  LEU   2           HB2      LEU   2  -3.590   6.104  -1.941
   11    HB3  LEU   2           HB1      LEU   2  -2.970   4.637  -2.682
   12    HG   LEU   2           HG       LEU   2  -5.602   5.867  -3.563
   13   HD11  LEU   2          HD11      LEU   2  -4.334   6.836  -5.450
   14   HD12  LEU   2          HD12      LEU   2  -2.810   6.324  -4.691
   15   HD13  LEU   2          HD13      LEU   2  -3.847   7.535  -3.898
   16   HD21  LEU   2          HD21      LEU   2  -3.665   4.033  -5.039
   17   HD22  LEU   2          HD22      LEU   2  -5.308   4.532  -5.517
   18   HD23  LEU   2          HD23      LEU   2  -5.088   3.435  -4.167
   19    H    LEU   3           HN       LEU   3  -5.536   2.576   0.203
   20    HA   LEU   3           HA       LEU   3  -2.887   2.357   1.579
   21    HB2  LEU   3           HB2      LEU   3  -5.658   1.777   2.685
   22    HB3  LEU   3           HB1      LEU   3  -4.118   1.523   3.499
   23    HG   LEU   3           HG       LEU   3  -3.743   4.120   2.841
   24   HD11  LEU   3          HD11      LEU   3  -6.011   4.336   1.775
   25   HD12  LEU   3          HD12      LEU   3  -5.777   5.411   3.168
   26   HD13  LEU   3          HD13      LEU   3  -6.752   3.929   3.329
   27   HD21  LEU   3          HD21      LEU   3  -3.609   3.186   5.099
   28   HD22  LEU   3          HD22      LEU   3  -5.385   3.173   5.213
   29   HD23  LEU   3          HD23      LEU   3  -4.492   4.715   5.078
   30    H    SER   4           HN       SER   4  -5.299   0.342  -0.111
   31    HA   SER   4           HA       SER   4  -3.989  -2.107   0.759
   32    HB2  SER   4           HB2      SER   4  -6.468  -1.694   0.068
   33    HB3  SER   4           HB1      SER   4  -5.885  -2.040  -1.573
   34    HG   SER   4           HG       SER   4  -6.583  -3.777   0.146
   35    H    LEU   5           HN       LEU   5  -2.954   0.157  -1.406
   36    HA   LEU   5           HA       LEU   5  -1.594  -1.798  -3.205
   37    HB2  LEU   5           HB2      LEU   5  -3.183   0.177  -4.008
   38    HB3  LEU   5           HB1      LEU   5  -1.769   1.176  -3.728
   39    HG   LEU   5           HG       LEU   5  -0.507  -0.519  -5.268
   40   HD11  LEU   5          HD11      LEU   5  -3.408  -1.150  -6.009
   41   HD12  LEU   5          HD12      LEU   5  -2.275  -2.291  -5.263
   42   HD13  LEU   5          HD13      LEU   5  -1.973  -1.682  -6.902
   43   HD21  LEU   5          HD21      LEU   5  -1.360   0.628  -7.307
   44   HD22  LEU   5          HD22      LEU   5  -1.080   1.759  -5.976
   45   HD23  LEU   5          HD23      LEU   5  -2.738   1.246  -6.370
   46    H    ILE   6           HN       ILE   6  -0.889   1.370  -1.681
   47    HA   ILE   6           HA       ILE   6   1.904   1.202  -1.997
   48    HB   ILE   6           HB       ILE   6   0.414   2.924   0.014
   49   HG12  ILE   6          HG12      ILE   6   0.986   3.508  -2.936
   50   HG13  ILE   6          HG11      ILE   6  -0.603   3.144  -2.272
   51   HG21  ILE   6          HG21      ILE   6   3.056   3.362  -1.470
   52   HG22  ILE   6          HG22      ILE   6   2.899   2.938   0.246
   53   HG23  ILE   6          HG23      ILE   6   2.314   4.488  -0.315
   54   HD11  ILE   6          HD3       ILE   6  -0.470   5.199  -0.852
   55   HD12  ILE   6          HD1       ILE   6  -0.514   5.481  -2.601
   56   HD13  ILE   6          HD2       ILE   6   1.014   5.647  -1.729
   57    H    ARG   7           HN       ARG   7  -0.087  -0.196   0.545
   58    HA   ARG   7           HA       ARG   7   1.828  -0.591   2.570
   59    HB2  ARG   7           HB2      ARG   7   0.307  -2.052   3.537
   60    HB3  ARG   7           HB1      ARG   7  -0.627  -0.835   2.733
   61    HG2  ARG   7           HG2      ARG   7  -1.792  -2.430   1.656
   62    HG3  ARG   7           HG1      ARG   7  -0.360  -2.951   0.803
   63    HD2  ARG   7           HD2      ARG   7  -1.284  -3.928   3.550
   64    HD3  ARG   7           HD1      ARG   7  -1.551  -4.758   2.027
   65    HE   ARG   7           HE       ARG   7   0.777  -5.265   1.842
   66   HH11  ARG   7          HH11      ARG   7   0.222  -3.629   4.876
   67   HH12  ARG   7          HH12      ARG   7   1.712  -4.215   5.556
   68   HH21  ARG   7          HH21      ARG   7   2.654  -5.985   2.807
   69   HH22  ARG   7          HH22      ARG   7   3.015  -5.530   4.429
   70    H    LYS   8           HN       LYS   8   1.752  -2.197  -0.489
   71    HA   LYS   8           HA       LYS   8   3.526  -4.421   0.429
   72    HB2  LYS   8           HB2      LYS   8   2.214  -3.820  -2.248
   73    HB3  LYS   8           HB1      LYS   8   3.368  -5.130  -1.981
   74    HG2  LYS   8           HG2      LYS   8   1.878  -6.149  -0.287
   75    HG3  LYS   8           HG1      LYS   8   0.688  -4.858  -0.550
   76    HD2  LYS   8           HD2      LYS   8   0.470  -5.503  -2.911
   77    HD3  LYS   8           HD1      LYS   8   1.664  -6.787  -2.714
   78    HE2  LYS   8           HE2      LYS   8  -0.947  -6.649  -1.135
   79    HE3  LYS   8           HE1      LYS   8  -0.818  -7.442  -2.703
   80    HZ1  LYS   8           HZ1      LYS   8   0.841  -8.939  -1.791
   81    HZ2  LYS   8           HZ2      LYS   8  -0.537  -9.036  -0.911
   82    HZ3  LYS   8           HZ3      LYS   8   0.761  -8.227  -0.318
   83    H    LEU   9           HN       LEU   9   3.889  -1.233  -0.746
   84    HA   LEU   9           HA       LEU   9   6.591  -1.749  -1.887
   85    HB2  LEU   9           HB2      LEU   9   4.704   0.637  -1.889
   86    HB3  LEU   9           HB1      LEU   9   6.319   0.688  -2.579
   87    HG   LEU   9           HG       LEU   9   4.356  -1.439  -3.513
   88   HD11  LEU   9          HD11      LEU   9   4.540   1.378  -4.633
   89   HD12  LEU   9          HD12      LEU   9   3.175   0.711  -3.708
   90   HD13  LEU   9          HD13      LEU   9   3.578   0.021  -5.275
   91   HD21  LEU   9          HD21      LEU   9   6.626   0.032  -4.921
   92   HD22  LEU   9          HD22      LEU   9   5.662  -1.303  -5.580
   93   HD23  LEU   9          HD23      LEU   9   6.747  -1.589  -4.210
   94    H    ILE  10           HN       ILE  10   5.063  -0.429   0.947
   95    HA   ILE  10           HA       ILE  10   7.527   0.808   1.972
   96    HB   ILE  10           HB       ILE  10   6.111   1.413   3.925
   97   HG12  ILE  10          HG12      ILE  10   3.530   1.228   3.384
   98   HG13  ILE  10          HG11      ILE  10   3.992  -0.196   2.469
   99   HG21  ILE  10          HG21      ILE  10   6.383   2.888   1.989
  100   HG22  ILE  10          HG22      ILE  10   4.793   3.078   2.739
  101   HG23  ILE  10          HG23      ILE  10   4.951   2.169   1.219
  102   HD11  ILE  10          HD3       ILE  10   4.895  -1.236   4.522
  103   HD12  ILE  10          HD1       ILE  10   3.226  -0.709   4.762
  104   HD13  ILE  10          HD2       ILE  10   4.562   0.264   5.414
  105    H    THR  11           HN       THR  11   6.374  -2.378   2.054
  106    HA   THR  11           HA       THR  11   7.143  -2.863   4.854
  107    HB   THR  11           HB       THR  11   5.082  -3.788   4.161
  108    HG1  THR  11           HG1      THR  11   6.933  -5.890   4.398
  109   HG21  THR  11          HG21      THR  11   6.584  -5.390   2.053
  110   HG22  THR  11          HG22      THR  11   5.317  -4.180   1.803
  111   HG23  THR  11          HG23      THR  11   4.931  -5.718   2.594
  112    HN1  NH2  12           H2       NH2  12  10.246  -4.391   4.516
  113    HN2  NH2  12           H1       NH2  12   9.064  -3.608   5.553
  Start of MODEL   14
    1    H1   SER   1           H1       SER   1  -8.074   2.234   0.810
    2    H2   SER   1           H2       SER   1  -8.112   3.883   0.632
    3    H3   SER   1           H3       SER   1  -9.490   3.010   0.464
    4    HA   SER   1           HA       SER   1  -8.667   1.876  -1.416
    5    HB2  SER   1           HB2      SER   1  -8.532   4.853  -1.949
    6    HB3  SER   1           HB1      SER   1  -9.122   3.538  -3.000
    7    HG   SER   1           HG       SER   1 -10.934   4.353  -2.022
    8    H    LEU   2           HN       LEU   2  -6.514   4.818  -1.572
    9    HA   LEU   2           HA       LEU   2  -4.604   3.423  -3.052
   10    HB2  LEU   2           HB2      LEU   2  -4.399   5.931  -1.345
   11    HB3  LEU   2           HB1      LEU   2  -3.088   5.386  -2.382
   12    HG   LEU   2           HG       LEU   2  -5.863   5.876  -3.520
   13   HD11  LEU   2          HD11      LEU   2  -3.584   7.877  -3.281
   14   HD12  LEU   2          HD12      LEU   2  -5.140   7.950  -2.408
   15   HD13  LEU   2          HD13      LEU   2  -5.109   8.114  -4.167
   16   HD21  LEU   2          HD21      LEU   2  -4.624   6.193  -5.618
   17   HD22  LEU   2          HD22      LEU   2  -4.217   4.616  -4.934
   18   HD23  LEU   2          HD23      LEU   2  -3.076   5.965  -4.779
   19    H    LEU   3           HN       LEU   3  -4.642   3.731   0.507
   20    HA   LEU   3           HA       LEU   3  -1.994   2.941   1.014
   21    HB2  LEU   3           HB2      LEU   3  -4.497   2.480   2.707
   22    HB3  LEU   3           HB1      LEU   3  -2.844   2.228   3.235
   23    HG   LEU   3           HG       LEU   3  -2.445   4.735   2.600
   24   HD11  LEU   3          HD11      LEU   3  -4.600   5.268   1.523
   25   HD12  LEU   3          HD12      LEU   3  -4.453   6.157   3.028
   26   HD13  LEU   3          HD13      LEU   3  -5.478   4.716   2.980
   27   HD21  LEU   3          HD21      LEU   3  -3.163   5.426   4.856
   28   HD22  LEU   3          HD22      LEU   3  -2.379   3.844   4.891
   29   HD23  LEU   3          HD23      LEU   3  -4.149   3.954   5.005
   30    H    SER   4           HN       SER   4  -4.767   0.872   0.214
   31    HA   SER   4           HA       SER   4  -3.741  -1.642   0.982
   32    HB2  SER   4           HB2      SER   4  -5.608  -1.048  -1.343
   33    HB3  SER   4           HB1      SER   4  -5.519  -2.528  -0.369
   34    HG   SER   4           HG       SER   4  -7.203  -1.348   0.440
   35    H    LEU   5           HN       LEU   5  -2.698   0.386  -1.560
   36    HA   LEU   5           HA       LEU   5  -1.376  -1.814  -3.069
   37    HB2  LEU   5           HB2      LEU   5  -1.744   1.125  -3.801
   38    HB3  LEU   5           HB1      LEU   5  -0.903  -0.098  -4.742
   39    HG   LEU   5           HG       LEU   5  -3.222  -1.411  -4.555
   40   HD11  LEU   5          HD11      LEU   5  -5.163   0.087  -4.698
   41   HD12  LEU   5          HD12      LEU   5  -4.127   1.504  -4.424
   42   HD13  LEU   5          HD13      LEU   5  -4.385   0.317  -3.136
   43   HD21  LEU   5          HD21      LEU   5  -3.907  -0.427  -6.696
   44   HD22  LEU   5          HD22      LEU   5  -2.158  -0.694  -6.657
   45   HD23  LEU   5          HD23      LEU   5  -2.808   0.946  -6.436
   46    H    ILE   6           HN       ILE   6  -0.562   1.441  -1.737
   47    HA   ILE   6           HA       ILE   6   2.212   1.089  -2.010
   48    HB   ILE   6           HB       ILE   6   1.208   2.855   0.197
   49   HG12  ILE   6          HG12      ILE   6  -0.448   3.390  -1.442
   50   HG13  ILE   6          HG11      ILE   6   0.702   4.691  -1.330
   51   HG21  ILE   6          HG21      ILE   6   3.619   2.791  -0.263
   52   HG22  ILE   6          HG22      ILE   6   2.964   4.372  -0.695
   53   HG23  ILE   6          HG23      ILE   6   3.337   3.192  -1.965
   54   HD11  ILE   6          HD3       ILE   6  -0.004   4.287  -3.649
   55   HD12  ILE   6          HD1       ILE   6   0.639   2.639  -3.592
   56   HD13  ILE   6          HD2       ILE   6   1.738   4.033  -3.470
   57    H    ARG   7           HN       ARG   7   0.156  -0.074   0.632
   58    HA   ARG   7           HA       ARG   7   2.078  -0.634   2.572
   59    HB2  ARG   7           HB2      ARG   7   0.539  -2.100   3.564
   60    HB3  ARG   7           HB1      ARG   7  -0.282  -0.710   2.919
   61    HG2  ARG   7           HG2      ARG   7  -1.724  -2.478   2.471
   62    HG3  ARG   7           HG1      ARG   7  -0.992  -2.108   0.918
   63    HD2  ARG   7           HD2      ARG   7  -1.312  -4.555   1.433
   64    HD3  ARG   7           HD1      ARG   7   0.309  -4.087   0.940
   65    HE   ARG   7           HE       ARG   7  -0.371  -4.367   3.836
   66   HH11  ARG   7          HH11      ARG   7   1.670  -5.473   1.195
   67   HH12  ARG   7          HH12      ARG   7   2.948  -5.884   2.305
   68   HH21  ARG   7          HH21      ARG   7   1.375  -4.970   5.112
   69   HH22  ARG   7          HH22      ARG   7   2.767  -5.625   4.352
   70    H    LYS   8           HN       LYS   8   1.834  -2.201  -0.484
   71    HA   LYS   8           HA       LYS   8   3.492  -4.556   0.252
   72    HB2  LYS   8           HB2      LYS   8   2.606  -3.561  -2.496
   73    HB3  LYS   8           HB1      LYS   8   3.384  -5.101  -2.125
   74    HG2  LYS   8           HG2      LYS   8   1.372  -5.678  -0.680
   75    HG3  LYS   8           HG1      LYS   8   0.587  -4.214  -1.312
   76    HD2  LYS   8           HD2      LYS   8   0.874  -5.140  -3.645
   77    HD3  LYS   8           HD1      LYS   8   1.567  -6.598  -2.930
   78    HE2  LYS   8           HE2      LYS   8  -0.689  -7.139  -3.357
   79    HE3  LYS   8           HE1      LYS   8  -0.570  -6.912  -1.614
   80    HZ1  LYS   8           HZ1      LYS   8  -2.536  -5.794  -2.523
   81    HZ2  LYS   8           HZ2      LYS   8  -1.624  -4.911  -3.551
   82    HZ3  LYS   8           HZ3      LYS   8  -1.532  -4.643  -1.943
   83    H    LEU   9           HN       LEU   9   4.062  -1.309  -1.004
   84    HA   LEU   9           HA       LEU   9   6.835  -1.985  -1.768
   85    HB2  LEU   9           HB2      LEU   9   5.278   0.636  -1.873
   86    HB3  LEU   9           HB1      LEU   9   6.962   0.435  -2.323
   87    HG   LEU   9           HG       LEU   9   6.067  -1.424  -3.973
   88   HD11  LEU   9          HD11      LEU   9   3.666  -1.340  -3.283
   89   HD12  LEU   9          HD12      LEU   9   3.882  -0.835  -4.958
   90   HD13  LEU   9          HD13      LEU   9   3.621   0.387  -3.700
   91   HD21  LEU   9          HD21      LEU   9   7.207   0.638  -4.651
   92   HD22  LEU   9          HD22      LEU   9   5.698   1.563  -4.458
   93   HD23  LEU   9          HD23      LEU   9   5.837   0.314  -5.717
   94    H    ILE  10           HN       ILE  10   5.273  -1.213   1.092
   95    HA   ILE  10           HA       ILE  10   7.822  -0.327   2.370
   96    HB   ILE  10           HB       ILE  10   6.452   0.586   4.211
   97   HG12  ILE  10          HG12      ILE  10   3.987   1.212   3.147
   98   HG13  ILE  10          HG11      ILE  10   4.184  -0.426   2.558
   99   HG21  ILE  10          HG21      ILE  10   5.885   1.780   1.472
  100   HG22  ILE  10          HG22      ILE  10   7.382   1.980   2.418
  101   HG23  ILE  10          HG23      ILE  10   5.854   2.627   3.034
  102   HD11  ILE  10          HD3       ILE  10   4.347   0.441   5.472
  103   HD12  ILE  10          HD1       ILE  10   4.491  -1.225   4.873
  104   HD13  ILE  10          HD2       ILE  10   2.966  -0.354   4.695
  105    H    THR  11           HN       THR  11   5.319  -2.886   2.600
  106    HA   THR  11           HA       THR  11   7.249  -4.313   4.344
  107    HB   THR  11           HB       THR  11   5.414  -5.166   5.813
  108    HG1  THR  11           HG1      THR  11   4.051  -3.169   4.430
  109   HG21  THR  11          HG21      THR  11   6.053  -2.204   6.063
  110   HG22  THR  11          HG22      THR  11   6.939  -3.563   6.758
  111   HG23  THR  11          HG23      THR  11   5.292  -3.206   7.310
  112    HN1  NH2  12           H2       NH2  12   6.443  -7.266   2.705
  113    HN2  NH2  12           H1       NH2  12   7.611  -6.315   3.606
  Start of MODEL   15
    1    H1   SER   1           H1       SER   1  -8.589   3.975  -4.102
    2    H2   SER   1           H2       SER   1  -7.935   2.525  -4.530
    3    H3   SER   1           H3       SER   1  -9.346   2.570  -3.667
    4    HA   SER   1           HA       SER   1  -8.134   3.680  -1.848
    5    HB2  SER   1           HB2      SER   1  -7.422   0.816  -2.588
    6    HB3  SER   1           HB1      SER   1  -7.298   1.548  -0.955
    7    HG   SER   1           HG       SER   1  -9.352   0.590  -1.255
    8    H    LEU   2           HN       LEU   2  -6.044   3.802  -0.801
    9    HA   LEU   2           HA       LEU   2  -3.685   3.874  -2.660
   10    HB2  LEU   2           HB2      LEU   2  -4.630   5.886  -0.581
   11    HB3  LEU   2           HB1      LEU   2  -2.992   5.883  -1.216
   12    HG   LEU   2           HG       LEU   2  -5.414   6.103  -3.059
   13   HD11  LEU   2          HD11      LEU   2  -5.627   7.922  -1.539
   14   HD12  LEU   2          HD12      LEU   2  -4.947   8.571  -3.023
   15   HD13  LEU   2          HD13      LEU   2  -3.904   8.288  -1.579
   16   HD21  LEU   2          HD21      LEU   2  -3.738   7.181  -4.560
   17   HD22  LEU   2          HD22      LEU   2  -3.335   5.511  -4.188
   18   HD23  LEU   2          HD23      LEU   2  -2.457   6.803  -3.365
   19    H    LEU   3           HN       LEU   3  -4.648   3.835   0.815
   20    HA   LEU   3           HA       LEU   3  -2.204   2.777   1.789
   21    HB2  LEU   3           HB2      LEU   3  -5.013   2.596   2.978
   22    HB3  LEU   3           HB1      LEU   3  -3.517   2.181   3.789
   23    HG   LEU   3           HG       LEU   3  -2.790   4.660   3.244
   24   HD11  LEU   3          HD11      LEU   3  -5.841   4.863   3.227
   25   HD12  LEU   3          HD12      LEU   3  -4.747   5.355   1.907
   26   HD13  LEU   3          HD13      LEU   3  -4.727   6.226   3.433
   27   HD21  LEU   3          HD21      LEU   3  -3.077   3.730   5.495
   28   HD22  LEU   3          HD22      LEU   3  -4.838   3.949   5.387
   29   HD23  LEU   3          HD23      LEU   3  -3.753   5.361   5.412
   30    H    SER   4           HN       SER   4  -4.612   1.132  -0.024
   31    HA   SER   4           HA       SER   4  -3.818  -1.546   0.938
   32    HB2  SER   4           HB2      SER   4  -5.803  -0.879  -1.241
   33    HB3  SER   4           HB1      SER   4  -5.670  -2.380  -0.306
   34    HG   SER   4           HG       SER   4  -6.551  -1.366   1.421
   35    H    LEU   5           HN       LEU   5  -2.536   0.593  -1.230
   36    HA   LEU   5           HA       LEU   5  -1.560  -1.509  -3.119
   37    HB2  LEU   5           HB2      LEU   5  -3.175   0.572  -3.789
   38    HB3  LEU   5           HB1      LEU   5  -1.647   1.411  -3.878
   39    HG   LEU   5           HG       LEU   5  -2.372   0.643  -6.044
   40   HD11  LEU   5          HD11      LEU   5   0.066   0.647  -5.662
   41   HD12  LEU   5          HD12      LEU   5  -0.432  -0.574  -6.841
   42   HD13  LEU   5          HD13      LEU   5  -0.002  -1.067  -5.189
   43   HD21  LEU   5          HD21      LEU   5  -2.211  -2.233  -5.066
   44   HD22  LEU   5          HD22      LEU   5  -2.712  -1.645  -6.663
   45   HD23  LEU   5          HD23      LEU   5  -3.719  -1.309  -5.248
   46    H    ILE   6           HN       ILE   6  -0.709   1.678  -1.710
   47    HA   ILE   6           HA       ILE   6   2.094   1.431  -2.160
   48    HB   ILE   6           HB       ILE   6   0.745   3.179  -0.079
   49   HG12  ILE   6          HG12      ILE   6   1.269   4.064  -2.954
   50   HG13  ILE   6          HG11      ILE   6  -0.278   3.385  -2.502
   51   HG21  ILE   6          HG21      ILE   6   3.232   3.168   0.005
   52   HG22  ILE   6          HG22      ILE   6   2.653   4.725  -0.577
   53   HG23  ILE   6          HG23      ILE   6   3.300   3.545  -1.728
   54   HD11  ILE   6          HD3       ILE   6   0.901   5.925  -1.348
   55   HD12  ILE   6          HD1       ILE   6  -0.583   5.131  -0.768
   56   HD13  ILE   6          HD2       ILE   6  -0.489   5.745  -2.427
   57    H    ARG   7           HN       ARG   7   0.078   0.086   0.401
   58    HA   ARG   7           HA       ARG   7   2.045  -0.419   2.369
   59    HB2  ARG   7           HB2      ARG   7   0.536  -1.848   3.407
   60    HB3  ARG   7           HB1      ARG   7  -0.341  -0.511   2.733
   61    HG2  ARG   7           HG2      ARG   7  -1.766  -1.989   1.824
   62    HG3  ARG   7           HG1      ARG   7  -0.530  -2.483   0.699
   63    HD2  ARG   7           HD2      ARG   7  -1.011  -3.673   3.481
   64    HD3  ARG   7           HD1      ARG   7  -1.704  -4.303   1.996
   65    HE   ARG   7           HE       ARG   7   0.437  -5.026   1.240
   66   HH11  ARG   7          HH11      ARG   7   0.710  -3.787   4.521
   67   HH12  ARG   7          HH12      ARG   7   2.339  -4.421   4.651
   68   HH21  ARG   7          HH21      ARG   7   2.426  -5.949   1.638
   69   HH22  ARG   7          HH22      ARG   7   3.271  -5.490   3.045
   70    H    LYS   8           HN       LYS   8   1.438  -2.177  -0.598
   71    HA   LYS   8           HA       LYS   8   3.092  -4.529   0.149
   72    HB2  LYS   8           HB2      LYS   8   1.797  -3.683  -2.484
   73    HB3  LYS   8           HB1      LYS   8   2.665  -5.198  -2.217
   74    HG2  LYS   8           HG2      LYS   8   0.991  -5.889  -0.524
   75    HG3  LYS   8           HG1      LYS   8   0.094  -4.377  -0.792
   76    HD2  LYS   8           HD2      LYS   8  -0.207  -4.969  -3.174
   77    HD3  LYS   8           HD1      LYS   8   0.666  -6.494  -2.909
   78    HE2  LYS   8           HE2      LYS   8  -1.061  -7.241  -1.325
   79    HE3  LYS   8           HE1      LYS   8  -1.907  -5.689  -1.475
   80    HZ1  LYS   8           HZ1      LYS   8  -2.885  -7.406  -2.909
   81    HZ2  LYS   8           HZ2      LYS   8  -1.468  -7.582  -3.718
   82    HZ3  LYS   8           HZ3      LYS   8  -2.296  -6.165  -3.802
   83    H    LEU   9           HN       LEU   9   3.709  -1.395  -0.986
   84    HA   LEU   9           HA       LEU   9   6.318  -2.139  -2.192
   85    HB2  LEU   9           HB2      LEU   9   4.631   0.384  -2.053
   86    HB3  LEU   9           HB1      LEU   9   6.280   0.416  -2.630
   87    HG   LEU   9           HG       LEU   9   4.282  -1.495  -3.890
   88   HD11  LEU   9          HD11      LEU   9   3.243   0.709  -4.006
   89   HD12  LEU   9          HD12      LEU   9   3.833   0.223  -5.594
   90   HD13  LEU   9          HD13      LEU   9   4.748   1.419  -4.643
   91   HD21  LEU   9          HD21      LEU   9   6.863  -0.135  -4.799
   92   HD22  LEU   9          HD22      LEU   9   5.795  -1.051  -5.863
   93   HD23  LEU   9          HD23      LEU   9   6.596  -1.872  -4.513
   94    H    ILE  10           HN       ILE  10   5.017  -0.998   0.828
   95    HA   ILE  10           HA       ILE  10   7.725  -0.214   1.787
   96    HB   ILE  10           HB       ILE  10   6.568   0.851   3.694
   97   HG12  ILE  10          HG12      ILE  10   4.036   1.459   3.000
   98   HG13  ILE  10          HG11      ILE  10   4.105  -0.140   2.291
   99   HG21  ILE  10          HG21      ILE  10   7.295   2.099   1.705
  100   HG22  ILE  10          HG22      ILE  10   5.846   2.801   2.435
  101   HG23  ILE  10          HG23      ILE  10   5.702   1.839   0.949
  102   HD11  ILE  10          HD3       ILE  10   3.136  -0.162   4.548
  103   HD12  ILE  10          HD1       ILE  10   4.630   0.526   5.213
  104   HD13  ILE  10          HD2       ILE  10   4.627  -1.104   4.506
  105    H    THR  11           HN       THR  11   5.325  -2.762   2.395
  106    HA   THR  11           HA       THR  11   7.397  -3.991   4.163
  107    HB   THR  11           HB       THR  11   5.519  -5.128   5.447
  108    HG1  THR  11           HG1      THR  11   4.135  -2.886   4.479
  109   HG21  THR  11          HG21      THR  11   6.854  -3.567   6.629
  110   HG22  THR  11          HG22      THR  11   5.166  -3.163   6.981
  111   HG23  THR  11          HG23      THR  11   6.106  -2.179   5.830
  112    HN1  NH2  12           H2       NH2  12   7.036  -7.015   2.493
  113    HN2  NH2  12           H1       NH2  12   7.981  -6.001   3.571
  Start of MODEL   16
    1    H1   SER   1           H1       SER   1  -8.072   1.517   0.303
    2    H2   SER   1           H2       SER   1  -8.719   3.046   0.246
    3    H3   SER   1           H3       SER   1  -9.656   1.720  -0.065
    4    HA   SER   1           HA       SER   1  -8.626   1.254  -2.049
    5    HB2  SER   1           HB2      SER   1  -8.959   3.336  -3.362
    6    HB3  SER   1           HB1      SER   1 -10.301   2.985  -2.251
    7    HG   SER   1           HG       SER   1  -9.572   5.189  -2.153
    8    H    LEU   2           HN       LEU   2  -6.972   4.438  -1.600
    9    HA   LEU   2           HA       LEU   2  -4.829   3.441  -3.146
   10    HB2  LEU   2           HB2      LEU   2  -5.849   5.838  -2.694
   11    HB3  LEU   2           HB1      LEU   2  -4.567   5.974  -1.501
   12    HG   LEU   2           HG       LEU   2  -4.039   5.202  -4.410
   13   HD11  LEU   2          HD11      LEU   2  -3.613   7.562  -4.903
   14   HD12  LEU   2          HD12      LEU   2  -4.107   8.020  -3.239
   15   HD13  LEU   2          HD13      LEU   2  -5.274   7.335  -4.381
   16   HD21  LEU   2          HD21      LEU   2  -1.819   6.131  -4.044
   17   HD22  LEU   2          HD22      LEU   2  -2.125   4.915  -2.833
   18   HD23  LEU   2          HD23      LEU   2  -2.258   6.618  -2.370
   19    H    LEU   3           HN       LEU   3  -4.940   3.888   0.385
   20    HA   LEU   3           HA       LEU   3  -2.232   3.454   1.041
   21    HB2  LEU   3           HB2      LEU   3  -4.814   2.699   2.475
   22    HB3  LEU   3           HB1      LEU   3  -3.234   2.610   3.239
   23    HG   LEU   3           HG       LEU   3  -4.196   5.224   2.017
   24   HD11  LEU   3          HD11      LEU   3  -5.051   5.890   4.213
   25   HD12  LEU   3          HD12      LEU   3  -4.754   4.252   4.844
   26   HD13  LEU   3          HD13      LEU   3  -5.960   4.519   3.566
   27   HD21  LEU   3          HD21      LEU   3  -2.318   4.610   4.340
   28   HD22  LEU   3          HD22      LEU   3  -2.683   6.213   3.663
   29   HD23  LEU   3          HD23      LEU   3  -1.799   5.023   2.692
   30    H    SER   4           HN       SER   4  -4.757   1.040   0.365
   31    HA   SER   4           HA       SER   4  -3.341  -1.280   1.125
   32    HB2  SER   4           HB2      SER   4  -5.508  -1.160  -0.988
   33    HB3  SER   4           HB1      SER   4  -5.149  -2.461   0.160
   34    HG   SER   4           HG       SER   4  -6.641  -1.521   1.308
   35    H    LEU   5           HN       LEU   5  -2.714   0.687  -1.591
   36    HA   LEU   5           HA       LEU   5  -1.506  -1.532  -3.178
   37    HB2  LEU   5           HB2      LEU   5  -2.179   1.376  -3.739
   38    HB3  LEU   5           HB1      LEU   5  -0.990   0.543  -4.709
   39    HG   LEU   5           HG       LEU   5  -3.148   0.579  -5.792
   40   HD11  LEU   5          HD11      LEU   5  -3.274  -1.715  -6.471
   41   HD12  LEU   5          HD12      LEU   5  -2.516  -2.279  -4.971
   42   HD13  LEU   5          HD13      LEU   5  -1.567  -1.331  -6.141
   43   HD21  LEU   5          HD21      LEU   5  -4.603   0.506  -3.771
   44   HD22  LEU   5          HD22      LEU   5  -4.224  -1.221  -3.589
   45   HD23  LEU   5          HD23      LEU   5  -5.080  -0.646  -5.030
   46    H    ILE   6           HN       ILE   6  -0.584   1.528  -1.567
   47    HA   ILE   6           HA       ILE   6   2.216   1.289  -2.089
   48    HB   ILE   6           HB       ILE   6   1.004   2.704   0.302
   49   HG12  ILE   6          HG12      ILE   6   1.505   4.127  -2.339
   50   HG13  ILE   6          HG11      ILE   6  -0.053   3.372  -2.051
   51   HG21  ILE   6          HG21      ILE   6   3.524   3.204  -1.370
   52   HG22  ILE   6          HG22      ILE   6   3.483   2.566   0.284
   53   HG23  ILE   6          HG23      ILE   6   2.991   4.224  -0.025
   54   HD11  ILE   6          HD3       ILE   6  -0.461   4.704  -0.076
   55   HD12  ILE   6          HD1       ILE   6  -0.077   5.753  -1.452
   56   HD13  ILE   6          HD2       ILE   6   1.139   5.469  -0.199
   57    H    ARG   7           HN       ARG   7   0.180  -0.240   0.325
   58    HA   ARG   7           HA       ARG   7   1.901  -1.304   2.216
   59    HB2  ARG   7           HB2      ARG   7  -0.588  -2.267   0.797
   60    HB3  ARG   7           HB1      ARG   7   0.281  -3.398   1.800
   61    HG2  ARG   7           HG2      ARG   7   0.178  -1.135   3.458
   62    HG3  ARG   7           HG1      ARG   7  -1.311  -0.981   2.567
   63    HD2  ARG   7           HD2      ARG   7  -1.485  -2.188   4.776
   64    HD3  ARG   7           HD1      ARG   7  -2.171  -3.023   3.387
   65    HE   ARG   7           HE       ARG   7  -0.852  -4.782   3.902
   66   HH11  ARG   7          HH11      ARG   7   1.108  -2.059   4.965
   67   HH12  ARG   7          HH12      ARG   7   2.553  -3.048   5.002
   68   HH21  ARG   7          HH21      ARG   7   1.031  -5.900   3.929
   69   HH22  ARG   7          HH22      ARG   7   2.513  -5.092   4.241
   70    H    LYS   8           HN       LYS   8   1.697  -2.525  -1.132
   71    HA   LYS   8           HA       LYS   8   3.611  -4.713  -0.574
   72    HB2  LYS   8           HB2      LYS   8   2.350  -3.686  -3.149
   73    HB3  LYS   8           HB1      LYS   8   3.459  -5.062  -3.055
   74    HG2  LYS   8           HG2      LYS   8   1.908  -6.261  -1.554
   75    HG3  LYS   8           HG1      LYS   8   0.769  -4.902  -1.621
   76    HD2  LYS   8           HD2      LYS   8   0.530  -5.197  -4.060
   77    HD3  LYS   8           HD1      LYS   8   1.684  -6.552  -4.017
   78    HE2  LYS   8           HE2      LYS   8   0.183  -7.802  -2.501
   79    HE3  LYS   8           HE1      LYS   8  -0.955  -6.445  -2.482
   80    HZ1  LYS   8           HZ1      LYS   8  -0.218  -8.009  -4.890
   81    HZ2  LYS   8           HZ2      LYS   8  -1.296  -6.762  -4.850
   82    HZ3  LYS   8           HZ3      LYS   8  -1.627  -8.160  -4.057
   83    H    LEU   9           HN       LEU   9   3.976  -1.408  -1.141
   84    HA   LEU   9           HA       LEU   9   6.764  -1.663  -2.164
   85    HB2  LEU   9           HB2      LEU   9   4.776   0.635  -2.078
   86    HB3  LEU   9           HB1      LEU   9   6.443   0.839  -2.569
   87    HG   LEU   9           HG       LEU   9   4.745  -1.212  -4.026
   88   HD11  LEU   9          HD11      LEU   9   4.724   1.803  -4.444
   89   HD12  LEU   9          HD12      LEU   9   3.346   0.750  -4.041
   90   HD13  LEU   9          HD13      LEU   9   4.123   0.615  -5.620
   91   HD21  LEU   9          HD21      LEU   9   6.215  -0.585  -5.895
   92   HD22  LEU   9          HD22      LEU   9   7.187  -1.063  -4.494
   93   HD23  LEU   9          HD23      LEU   9   6.994   0.659  -4.900
   94    H    ILE  10           HN       ILE  10   5.276  -1.609   0.760
   95    HA   ILE  10           HA       ILE  10   7.672  -0.378   2.051
   96    HB   ILE  10           HB       ILE  10   6.278   0.156   4.026
   97   HG12  ILE  10          HG12      ILE  10   3.817   0.198   2.278
   98   HG13  ILE  10          HG11      ILE  10   4.230  -1.282   3.131
   99   HG21  ILE  10          HG21      ILE  10   5.467   2.296   3.104
  100   HG22  ILE  10          HG22      ILE  10   5.610   1.652   1.458
  101   HG23  ILE  10          HG23      ILE  10   7.060   1.872   2.467
  102   HD11  ILE  10          HD3       ILE  10   4.192  -0.100   5.278
  103   HD12  ILE  10          HD1       ILE  10   2.644   0.024   4.423
  104   HD13  ILE  10          HD2       ILE  10   3.749   1.412   4.449
  105    H    THR  11           HN       THR  11   5.197  -3.011   2.462
  106    HA   THR  11           HA       THR  11   7.260  -4.710   3.585
  107    HB   THR  11           HB       THR  11   6.962  -3.469   5.591
  108    HG1  THR  11           HG1      THR  11   6.415  -5.128   6.900
  109   HG21  THR  11          HG21      THR  11   4.936  -3.169   6.810
  110   HG22  THR  11          HG22      THR  11   4.007  -4.154   5.669
  111   HG23  THR  11          HG23      THR  11   4.632  -2.553   5.182
  112    HN1  NH2  12           H2       NH2  12   5.186  -7.351   2.633
  113    HN2  NH2  12           H1       NH2  12   6.805  -6.738   2.908
  Start of MODEL   17
    1    H1   SER   1           H1       SER   1   2.393  10.961   6.215
    2    H2   SER   1           H2       SER   1   2.108  12.591   6.052
    3    H3   SER   1           H3       SER   1   0.927  11.519   5.701
    4    HA   SER   1           HA       SER   1   2.021  10.658   3.871
    5    HB2  SER   1           HB2      SER   1   2.204  13.653   3.494
    6    HB3  SER   1           HB1      SER   1   1.672  12.389   2.356
    7    HG   SER   1           HG       SER   1  -0.149  13.401   3.264
    8    H    LEU   2           HN       LEU   2   4.116  13.608   4.522
    9    HA   LEU   2           HA       LEU   2   6.326  12.326   3.218
   10    HB2  LEU   2           HB2      LEU   2   6.064  14.802   4.963
   11    HB3  LEU   2           HB1      LEU   2   7.567  14.353   4.170
   12    HG   LEU   2           HG       LEU   2   5.032  14.652   2.522
   13   HD11  LEU   2          HD11      LEU   2   5.213  16.727   3.785
   14   HD12  LEU   2          HD12      LEU   2   5.651  16.997   2.100
   15   HD13  LEU   2          HD13      LEU   2   6.923  16.892   3.348
   16   HD21  LEU   2          HD21      LEU   2   7.992  15.063   1.884
   17   HD22  LEU   2          HD22      LEU   2   6.633  15.219   0.743
   18   HD23  LEU   2          HD23      LEU   2   7.026  13.645   1.439
   19    H    LEU   3           HN       LEU   3   5.539  12.634   6.664
   20    HA   LEU   3           HA       LEU   3   7.995  11.767   7.769
   21    HB2  LEU   3           HB2      LEU   3   5.116  11.590   8.744
   22    HB3  LEU   3           HB1      LEU   3   6.491  11.195   9.762
   23    HG   LEU   3           HG       LEU   3   6.320  13.918   8.424
   24   HD11  LEU   3          HD11      LEU   3   5.279  14.783  10.475
   25   HD12  LEU   3          HD12      LEU   3   5.122  13.125  11.104
   26   HD13  LEU   3          HD13      LEU   3   4.222  13.626   9.656
   27   HD21  LEU   3          HD21      LEU   3   7.636  12.961  11.005
   28   HD22  LEU   3          HD22      LEU   3   7.716  14.601  10.326
   29   HD23  LEU   3          HD23      LEU   3   8.483  13.251   9.473
   30    H    SER   4           HN       SER   4   5.782   9.854   5.975
   31    HA   SER   4           HA       SER   4   6.624   7.306   7.241
   32    HB2  SER   4           HB2      SER   4   4.470   7.826   5.170
   33    HB3  SER   4           HB1      SER   4   4.729   6.330   6.091
   34    HG   SER   4           HG       SER   4   4.083   7.357   7.925
   35    H    LEU   5           HN       LEU   5   7.930   9.203   5.026
   36    HA   LEU   5           HA       LEU   5   8.842   7.012   3.185
   37    HB2  LEU   5           HB2      LEU   5   8.328   9.984   2.747
   38    HB3  LEU   5           HB1      LEU   5   9.185   8.985   1.582
   39    HG   LEU   5           HG       LEU   5   6.384   8.226   2.526
   40   HD11  LEU   5          HD11      LEU   5   5.501   9.367   0.544
   41   HD12  LEU   5          HD12      LEU   5   7.114  10.028   0.179
   42   HD13  LEU   5          HD13      LEU   5   6.250  10.515   1.659
   43   HD21  LEU   5          HD21      LEU   5   7.765   6.539   1.268
   44   HD22  LEU   5          HD22      LEU   5   7.892   7.727  -0.059
   45   HD23  LEU   5          HD23      LEU   5   6.315   7.048   0.389
   46    H    ILE   6           HN       ILE   6   9.808  10.114   4.686
   47    HA   ILE   6           HA       ILE   6  12.598   9.843   4.252
   48    HB   ILE   6           HB       ILE   6  11.314  11.356   6.543
   49   HG12  ILE   6          HG12      ILE   6  11.837  12.650   3.837
   50   HG13  ILE   6          HG11      ILE   6  10.301  11.871   4.122
   51   HG21  ILE   6          HG21      ILE   6  13.849  11.850   4.896
   52   HG22  ILE   6          HG22      ILE   6  13.796  11.286   6.577
   53   HG23  ILE   6          HG23      ILE   6  13.250  12.912   6.179
   54   HD11  ILE   6          HD3       ILE   6  10.064  14.207   4.590
   55   HD12  ILE   6          HD1       ILE   6  11.389  14.177   5.766
   56   HD13  ILE   6          HD2       ILE   6   9.880  13.294   6.096
   57    H    ARG   7           HN       ARG   7  10.553   8.300   6.606
   58    HA   ARG   7           HA       ARG   7  12.162   7.326   8.657
   59    HB2  ARG   7           HB2      ARG   7   9.810   6.315   7.062
   60    HB3  ARG   7           HB1      ARG   7  10.543   5.221   8.212
   61    HG2  ARG   7           HG2      ARG   7   9.889   7.980   9.228
   62    HG3  ARG   7           HG1      ARG   7   8.549   6.903   8.824
   63    HD2  ARG   7           HD2      ARG   7   8.952   6.644  11.118
   64    HD3  ARG   7           HD1      ARG   7   9.438   5.162  10.333
   65    HE   ARG   7           HE       ARG   7  11.168   7.183  11.662
   66   HH11  ARG   7          HH11      ARG   7  11.153   4.160   9.868
   67   HH12  ARG   7          HH12      ARG   7  12.849   3.904  10.231
   68   HH21  ARG   7          HH21      ARG   7  13.312   6.606  12.141
   69   HH22  ARG   7          HH22      ARG   7  13.938   5.133  11.424
   70    H    LYS   8           HN       LYS   8  12.185   6.108   5.305
   71    HA   LYS   8           HA       LYS   8  14.056   3.901   6.042
   72    HB2  LYS   8           HB2      LYS   8  12.767   4.754   3.422
   73    HB3  LYS   8           HB1      LYS   8  13.958   3.451   3.560
   74    HG2  LYS   8           HG2      LYS   8  12.492   2.218   5.115
   75    HG3  LYS   8           HG1      LYS   8  11.269   3.502   5.008
   76    HD2  LYS   8           HD2      LYS   8  11.052   3.122   2.582
   77    HD3  LYS   8           HD1      LYS   8  12.308   1.863   2.654
   78    HE2  LYS   8           HE2      LYS   8  10.891   0.532   4.190
   79    HE3  LYS   8           HE1      LYS   8   9.639   1.784   4.133
   80    HZ1  LYS   8           HZ1      LYS   8  10.603   0.225   1.799
   81    HZ2  LYS   8           HZ2      LYS   8   9.441   1.387   1.745
   82    HZ3  LYS   8           HZ3      LYS   8   9.167  -0.007   2.565
   83    H    LEU   9           HN       LEU   9  14.349   7.195   5.160
   84    HA   LEU   9           HA       LEU   9  17.120   6.862   4.145
   85    HB2  LEU   9           HB2      LEU   9  15.270   9.284   4.313
   86    HB3  LEU   9           HB1      LEU   9  16.959   9.343   3.853
   87    HG   LEU   9           HG       LEU   9  16.334   7.603   2.003
   88   HD11  LEU   9          HD11      LEU   9  14.057   7.865   1.118
   89   HD12  LEU   9          HD12      LEU   9  13.607   8.901   2.478
   90   HD13  LEU   9          HD13      LEU   9  13.967   7.183   2.732
   91   HD21  LEU   9          HD21      LEU   9  15.422  10.513   1.901
   92   HD22  LEU   9          HD22      LEU   9  15.798   9.490   0.496
   93   HD23  LEU   9          HD23      LEU   9  17.074   9.917   1.625
   94    H    ILE  10           HN       ILE  10  15.507   7.445   7.106
   95    HA   ILE  10           HA       ILE  10  18.038   8.399   8.378
   96    HB   ILE  10           HB       ILE  10  16.646   8.850  10.371
   97   HG12  ILE  10          HG12      ILE  10  14.171   8.669   8.646
   98   HG13  ILE  10          HG11      ILE  10  14.728   7.241   9.516
   99   HG21  ILE  10          HG21      ILE  10  17.265  10.628   8.803
  100   HG22  ILE  10          HG22      ILE  10  15.661  10.933   9.480
  101   HG23  ILE  10          HG23      ILE  10  15.817  10.308   7.825
  102   HD11  ILE  10          HD3       ILE  10  14.086   9.905  10.841
  103   HD12  ILE  10          HD1       ILE  10  14.545   8.373  11.624
  104   HD13  ILE  10          HD2       ILE  10  13.005   8.501  10.755
  105    H    THR  11           HN       THR  11  16.099   5.494   8.144
  106    HA   THR  11           HA       THR  11  18.078   4.162   9.912
  107    HB   THR  11           HB       THR  11  16.325   2.751  10.953
  108    HG1  THR  11           HG1      THR  11  14.813   3.629   9.237
  109   HG21  THR  11          HG21      THR  11  17.220   4.626  12.264
  110   HG22  THR  11          HG22      THR  11  15.517   4.325  12.639
  111   HG23  THR  11          HG23      THR  11  15.982   5.706  11.606
  112    HN1  NH2  12           H2       NH2  12  17.985   1.480   7.665
  113    HN2  NH2  12           H1       NH2  12  18.859   2.370   8.901
  Start of MODEL   18
    1    H1   SER   1           H1       SER   1   1.086  11.650   2.617
    2    H2   SER   1           H2       SER   1   1.433  10.046   2.545
    3    H3   SER   1           H3       SER   1   0.033  10.542   3.263
    4    HA   SER   1           HA       SER   1   1.191  11.597   5.024
    5    HB2  SER   1           HB2      SER   1   2.005   8.707   4.520
    6    HB3  SER   1           HB1      SER   1   2.134   9.555   6.094
    7    HG   SER   1           HG       SER   1   0.091   8.486   5.830
    8    H    LEU   2           HN       LEU   2   3.196  11.930   6.156
    9    HA   LEU   2           HA       LEU   2   5.658  11.951   4.437
   10    HB2  LEU   2           HB2      LEU   2   4.498  14.117   6.239
   11    HB3  LEU   2           HB1      LEU   2   6.168  14.132   5.692
   12    HG   LEU   2           HG       LEU   2   3.831  14.061   3.733
   13   HD11  LEU   2          HD11      LEU   2   5.301  16.472   4.880
   14   HD12  LEU   2          HD12      LEU   2   3.595  16.054   5.107
   15   HD13  LEU   2          HD13      LEU   2   4.160  16.500   3.499
   16   HD21  LEU   2          HD21      LEU   2   5.523  14.997   2.177
   17   HD22  LEU   2          HD22      LEU   2   6.004  13.412   2.774
   18   HD23  LEU   2          HD23      LEU   2   6.766  14.859   3.454
   19    H    LEU   3           HN       LEU   3   4.497  12.266   7.831
   20    HA   LEU   3           HA       LEU   3   6.853  11.357   9.112
   21    HB2  LEU   3           HB2      LEU   3   3.914  11.175   9.890
   22    HB3  LEU   3           HB1      LEU   3   5.232  10.799  10.989
   23    HG   LEU   3           HG       LEU   3   5.059  13.523   9.647
   24   HD11  LEU   3          HD11      LEU   3   3.937  14.341  11.675
   25   HD12  LEU   3          HD12      LEU   3   3.825  12.676  12.295
   26   HD13  LEU   3          HD13      LEU   3   2.942  13.148  10.827
   27   HD21  LEU   3          HD21      LEU   3   6.343  12.583  12.252
   28   HD22  LEU   3          HD22      LEU   3   6.388  14.231  11.592
   29   HD23  LEU   3          HD23      LEU   3   7.217  12.917  10.744
   30    H    SER   4           HN       SER   4   4.504   9.493   7.340
   31    HA   SER   4           HA       SER   4   5.576   6.932   8.368
   32    HB2  SER   4           HB2      SER   4   3.223   7.263   6.512
   33    HB3  SER   4           HB1      SER   4   3.678   5.854   7.489
   34    HG   SER   4           HG       SER   4   2.225   6.817   8.780
   35    H    LEU   5           HN       LEU   5   6.778   8.914   6.253
   36    HA   LEU   5           HA       LEU   5   7.559   6.836   4.248
   37    HB2  LEU   5           HB2      LEU   5   5.858   8.757   3.539
   38    HB3  LEU   5           HB1      LEU   5   7.286   9.777   3.562
   39    HG   LEU   5           HG       LEU   5   8.344   7.939   1.996
   40   HD11  LEU   5          HD11      LEU   5   6.521   6.257   2.330
   41   HD12  LEU   5          HD12      LEU   5   6.669   6.738   0.629
   42   HD13  LEU   5          HD13      LEU   5   5.358   7.396   1.623
   43   HD21  LEU   5          HD21      LEU   5   6.082   9.762   1.067
   44   HD22  LEU   5          HD22      LEU   5   7.295   9.012   0.006
   45   HD23  LEU   5          HD23      LEU   5   7.801  10.190   1.224
   46    H    ILE   6           HN       ILE   6   8.420  10.079   5.514
   47    HA   ILE   6           HA       ILE   6  11.239   9.889   5.058
   48    HB   ILE   6           HB       ILE   6   9.767  11.547   7.138
   49   HG12  ILE   6          HG12      ILE   6  10.499  12.529   4.342
   50   HG13  ILE   6          HG11      ILE   6   8.930  11.817   4.658
   51   HG21  ILE   6          HG21      ILE   6  11.692  13.118   6.866
   52   HG22  ILE   6          HG22      ILE   6  12.444  11.991   5.723
   53   HG23  ILE   6          HG23      ILE   6  12.234  11.540   7.427
   54   HD11  ILE   6          HD3       ILE   6   8.682  14.176   4.799
   55   HD12  ILE   6          HD1       ILE   6   9.996  14.330   5.976
   56   HD13  ILE   6          HD2       ILE   6   8.487  13.504   6.427
   57    H    ARG   7           HN       ARG   7   9.165   8.711   7.730
   58    HA   ARG   7           HA       ARG   7  11.292   8.006   9.485
   59    HB2  ARG   7           HB2      ARG   7   9.815   6.757  10.757
   60    HB3  ARG   7           HB1      ARG   7   8.918   8.110  10.134
   61    HG2  ARG   7           HG2      ARG   7   7.336   6.611   9.584
   62    HG3  ARG   7           HG1      ARG   7   8.337   6.120   8.233
   63    HD2  ARG   7           HD2      ARG   7   8.235   4.937  11.047
   64    HD3  ARG   7           HD1      ARG   7   7.388   4.291   9.651
   65    HE   ARG   7           HE       ARG   7   9.587   3.785   8.614
   66   HH11  ARG   7          HH11      ARG   7   9.605   4.196  12.086
   67   HH12  ARG   7          HH12      ARG   7  11.209   3.534  12.185
   68   HH21  ARG   7          HH21      ARG   7  11.623   2.847   8.972
   69   HH22  ARG   7          HH22      ARG   7  12.114   2.541  10.553
   70    H    LYS   8           HN       LYS   8  10.219   6.340   6.590
   71    HA   LYS   8           HA       LYS   8  11.672   3.834   7.237
   72    HB2  LYS   8           HB2      LYS   8  10.280   4.780   4.698
   73    HB3  LYS   8           HB1      LYS   8  11.042   3.202   4.901
   74    HG2  LYS   8           HG2      LYS   8   9.450   2.651   6.737
   75    HG3  LYS   8           HG1      LYS   8   8.690   4.235   6.542
   76    HD2  LYS   8           HD2      LYS   8   7.261   2.842   5.353
   77    HD3  LYS   8           HD1      LYS   8   8.260   3.559   4.086
   78    HE2  LYS   8           HE2      LYS   8   9.718   1.472   4.172
   79    HE3  LYS   8           HE1      LYS   8   8.579   0.787   5.339
   80    HZ1  LYS   8           HZ1      LYS   8   6.833   1.002   3.637
   81    HZ2  LYS   8           HZ2      LYS   8   8.061   0.050   3.097
   82    HZ3  LYS   8           HZ3      LYS   8   7.919   1.594   2.562
   83    H    LEU   9           HN       LEU   9  12.631   6.866   6.300
   84    HA   LEU   9           HA       LEU   9  15.090   5.907   4.914
   85    HB2  LEU   9           HB2      LEU   9  13.566   8.527   5.088
   86    HB3  LEU   9           HB1      LEU   9  15.216   8.501   4.536
   87    HG   LEU   9           HG       LEU   9  13.181   6.699   3.195
   88   HD11  LEU   9          HD11      LEU   9  12.829   8.551   1.560
   89   HD12  LEU   9          HD12      LEU   9  13.705   9.653   2.652
   90   HD13  LEU   9          HD13      LEU   9  12.173   8.903   3.161
   91   HD21  LEU   9          HD21      LEU   9  14.728   7.132   1.269
   92   HD22  LEU   9          HD22      LEU   9  15.542   6.343   2.631
   93   HD23  LEU   9          HD23      LEU   9  15.770   8.082   2.332
   94    H    ILE  10           HN       ILE  10  13.995   7.493   7.903
   95    HA   ILE  10           HA       ILE  10  16.802   7.983   8.728
   96    HB   ILE  10           HB       ILE  10  15.789   8.876  10.822
   97   HG12  ILE  10          HG12      ILE  10  13.155   9.312   9.499
   98   HG13  ILE  10          HG11      ILE  10  13.426   7.674  10.084
   99   HG21  ILE  10          HG21      ILE  10  16.577  10.323   9.030
  100   HG22  ILE  10          HG22      ILE  10  15.123  11.011   9.773
  101   HG23  ILE  10          HG23      ILE  10  15.012  10.203   8.194
  102   HD11  ILE  10          HD3       ILE  10  12.281   9.023  11.756
  103   HD12  ILE  10          HD1       ILE  10  13.635  10.174  11.790
  104   HD13  ILE  10          HD2       ILE  10  13.869   8.496  12.343
  105    H    THR  11           HN       THR  11  14.167   5.722   9.666
  106    HA   THR  11           HA       THR  11  16.201   4.279  11.323
  107    HB   THR  11           HB       THR  11  14.285   3.376  12.677
  108    HG1  THR  11           HG1      THR  11  12.957   5.688  11.847
  109   HG21  THR  11          HG21      THR  11  15.758   5.011  13.672
  110   HG22  THR  11          HG22      THR  11  14.085   5.359  14.134
  111   HG23  THR  11          HG23      THR  11  14.893   6.349  12.890
  112    HN1  NH2  12           H2       NH2  12  15.431   1.170   9.924
  113    HN2  NH2  12           H1       NH2  12  16.300   2.035  11.181
  Start of MODEL   19
    1    H1   SER   1           H1       SER   1   1.027   8.945   2.396
    2    H2   SER   1           H2       SER   1   1.475   7.562   3.157
    3    H3   SER   1           H3       SER   1  -0.062   8.122   3.344
    4    HA   SER   1           HA       SER   1   0.781  10.062   4.526
    5    HB2  SER   1           HB2      SER   1   1.802   8.747   6.505
    6    HB3  SER   1           HB1      SER   1   0.180   8.274   5.970
    7    HG   SER   1           HG       SER   1   1.052   6.381   5.809
    8    H    LEU   2           HN       LEU   2   2.751  10.940   5.692
    9    HA   LEU   2           HA       LEU   2   5.187  10.531   4.005
   10    HB2  LEU   2           HB2      LEU   2   3.776  12.815   4.237
   11    HB3  LEU   2           HB1      LEU   2   4.756  12.971   5.691
   12    HG   LEU   2           HG       LEU   2   6.764  12.354   4.011
   13   HD11  LEU   2          HD11      LEU   2   4.667  13.588   2.153
   14   HD12  LEU   2          HD12      LEU   2   5.260  11.916   2.060
   15   HD13  LEU   2          HD13      LEU   2   6.365  13.262   1.752
   16   HD21  LEU   2          HD21      LEU   2   6.574  14.433   5.237
   17   HD22  LEU   2          HD22      LEU   2   5.347  15.035   4.083
   18   HD23  LEU   2          HD23      LEU   2   7.038  14.766   3.557
   19    H    LEU   3           HN       LEU   3   4.134  10.982   7.415
   20    HA   LEU   3           HA       LEU   3   6.685  10.630   8.610
   21    HB2  LEU   3           HB2      LEU   3   3.917   9.885   9.679
   22    HB3  LEU   3           HB1      LEU   3   5.411   9.897  10.600
   23    HG   LEU   3           HG       LEU   3   5.605  12.416   9.886
   24   HD11  LEU   3          HD11      LEU   3   3.703  12.567   8.313
   25   HD12  LEU   3          HD12      LEU   3   3.383  13.537   9.738
   26   HD13  LEU   3          HD13      LEU   3   2.596  11.961   9.578
   27   HD21  LEU   3          HD21      LEU   3   5.251  11.647  12.195
   28   HD22  LEU   3          HD22      LEU   3   3.505  11.493  11.894
   29   HD23  LEU   3          HD23      LEU   3   4.290  13.087  11.857
   30    H    SER   4           HN       SER   4   4.257   8.203   7.595
   31    HA   SER   4           HA       SER   4   6.042   5.967   8.159
   32    HB2  SER   4           HB2      SER   4   3.487   5.971   8.374
   33    HB3  SER   4           HB1      SER   4   3.491   5.667   6.623
   34    HG   SER   4           HG       SER   4   3.595   3.839   8.245
   35    H    LEU   5           HN       LEU   5   6.846   8.041   6.160
   36    HA   LEU   5           HA       LEU   5   7.713   6.151   4.019
   37    HB2  LEU   5           HB2      LEU   5   5.982   8.082   3.418
   38    HB3  LEU   5           HB1      LEU   5   7.389   9.124   3.547
   39    HG   LEU   5           HG       LEU   5   8.516   7.492   1.851
   40   HD11  LEU   5          HD11      LEU   5   5.570   6.788   1.430
   41   HD12  LEU   5          HD12      LEU   5   6.816   5.672   2.027
   42   HD13  LEU   5          HD13      LEU   5   6.915   6.306   0.377
   43   HD21  LEU   5          HD21      LEU   5   7.416   8.651  -0.055
   44   HD22  LEU   5          HD22      LEU   5   7.805   9.766   1.263
   45   HD23  LEU   5          HD23      LEU   5   6.129   9.213   1.039
   46    H    ILE   6           HN       ILE   6   8.449   9.299   5.585
   47    HA   ILE   6           HA       ILE   6  11.266   9.171   5.191
   48    HB   ILE   6           HB       ILE   6   9.724  10.681   7.328
   49   HG12  ILE   6          HG12      ILE   6  10.632  11.872   4.674
   50   HG13  ILE   6          HG11      ILE   6   9.069  11.094   4.780
   51   HG21  ILE   6          HG21      ILE   6  12.468  11.194   6.065
   52   HG22  ILE   6          HG22      ILE   6  12.185  10.637   7.727
   53   HG23  ILE   6          HG23      ILE   6  11.674  12.251   7.242
   54   HD11  ILE   6          HD3       ILE   6   8.916  13.525   5.085
   55   HD12  ILE   6          HD1       ILE   6   9.878  13.418   6.565
   56   HD13  ILE   6          HD2       ILE   6   8.290  12.622   6.479
   57    H    ARG   7           HN       ARG   7   9.251   7.861   7.913
   58    HA   ARG   7           HA       ARG   7  11.439   7.045   9.519
   59    HB2  ARG   7           HB2      ARG   7   9.968   5.786  10.813
   60    HB3  ARG   7           HB1      ARG   7   9.157   7.249  10.304
   61    HG2  ARG   7           HG2      ARG   7   7.437   5.978   9.797
   62    HG3  ARG   7           HG1      ARG   7   8.303   5.468   8.350
   63    HD2  ARG   7           HD2      ARG   7   8.239   4.052  11.061
   64    HD3  ARG   7           HD1      ARG   7   7.235   3.642   9.680
   65    HE   ARG   7           HE       ARG   7   9.181   2.878   8.462
   66   HH11  ARG   7          HH11      ARG   7   9.870   3.398  11.862
   67   HH12  ARG   7          HH12      ARG   7  11.462   2.708  11.680
   68   HH21  ARG   7          HH21      ARG   7  11.057   1.709   8.452
   69   HH22  ARG   7          HH22      ARG   7  12.093   1.804   9.799
   70    H    LYS   8           HN       LYS   8  10.267   5.552   6.622
   71    HA   LYS   8           HA       LYS   8  11.692   2.977   7.022
   72    HB2  LYS   8           HB2      LYS   8  10.231   4.154   4.616
   73    HB3  LYS   8           HB1      LYS   8  10.903   2.525   4.696
   74    HG2  LYS   8           HG2      LYS   8   9.346   1.874   6.448
   75    HG3  LYS   8           HG1      LYS   8   8.755   3.540   6.607
   76    HD2  LYS   8           HD2      LYS   8   7.972   3.466   4.241
   77    HD3  LYS   8           HD1      LYS   8   8.380   1.736   4.187
   78    HE2  LYS   8           HE2      LYS   8   6.747   1.193   5.848
   79    HE3  LYS   8           HE1      LYS   8   6.638   2.870   6.406
   80    HZ1  LYS   8           HZ1      LYS   8   4.729   2.253   5.059
   81    HZ2  LYS   8           HZ2      LYS   8   5.705   2.045   3.733
   82    HZ3  LYS   8           HZ3      LYS   8   5.563   3.525   4.478
   83    H    LEU   9           HN       LEU   9  12.529   6.109   6.010
   84    HA   LEU   9           HA       LEU   9  14.944   5.141   4.573
   85    HB2  LEU   9           HB2      LEU   9  13.640   7.854   4.979
   86    HB3  LEU   9           HB1      LEU   9  15.252   7.699   4.309
   87    HG   LEU   9           HG       LEU   9  12.968   6.131   3.057
   88   HD11  LEU   9          HD11      LEU   9  12.615   8.030   1.500
   89   HD12  LEU   9          HD12      LEU   9  13.652   9.055   2.521
   90   HD13  LEU   9          HD13      LEU   9  12.121   8.401   3.150
   91   HD21  LEU   9          HD21      LEU   9  15.304   5.678   2.327
   92   HD22  LEU   9          HD22      LEU   9  15.497   7.408   1.910
   93   HD23  LEU   9          HD23      LEU   9  14.331   6.404   1.041
   94    H    ILE  10           HN       ILE  10  14.028   6.736   7.663
   95    HA   ILE  10           HA       ILE  10  16.864   6.972   8.418
   96    HB   ILE  10           HB       ILE  10  16.001   7.824  10.583
   97   HG12  ILE  10          HG12      ILE  10  13.304   8.354   9.427
   98   HG13  ILE  10          HG11      ILE  10  13.581   6.699   9.965
   99   HG21  ILE  10          HG21      ILE  10  16.721   9.321   8.804
  100   HG22  ILE  10          HG22      ILE  10  15.330  10.010   9.653
  101   HG23  ILE  10          HG23      ILE  10  15.104   9.270   8.057
  102   HD11  ILE  10          HD3       ILE  10  12.561   8.039  11.726
  103   HD12  ILE  10          HD1       ILE  10  13.938   9.162  11.701
  104   HD13  ILE  10          HD2       ILE  10  14.170   7.469  12.207
  105    H    THR  11           HN       THR  11  14.245   4.682   9.356
  106    HA   THR  11           HA       THR  11  16.350   3.174  10.863
  107    HB   THR  11           HB       THR  11  14.534   2.279  12.339
  108    HG1  THR  11           HG1      THR  11  13.175   4.595  11.516
  109   HG21  THR  11          HG21      THR  11  14.464   4.217  13.855
  110   HG22  THR  11          HG22      THR  11  15.145   5.251  12.572
  111   HG23  THR  11          HG23      THR  11  16.094   3.905  13.240
  112    HN1  NH2  12           H2       NH2  12  15.471   0.165   9.347
  113    HN2  NH2  12           H1       NH2  12  16.540   1.010  10.455
  Start of MODEL   20
    1    H1   SER   1           H1       SER   1   3.016  14.305   8.480
    2    H2   SER   1           H2       SER   1   3.412  15.484   7.389
    3    H3   SER   1           H3       SER   1   1.876  15.380   7.948
    4    HA   SER   1           HA       SER   1   1.553  13.260   6.966
    5    HB2  SER   1           HB2      SER   1   2.402  15.309   4.897
    6    HB3  SER   1           HB1      SER   1   1.185  14.010   4.740
    7    HG   SER   1           HG       SER   1   0.063  15.839   5.338
    8    H    LEU   2           HN       LEU   2   4.602  14.647   5.453
    9    HA   LEU   2           HA       LEU   2   5.391  12.013   4.570
   10    HB2  LEU   2           HB2      LEU   2   6.877  14.658   4.757
   11    HB3  LEU   2           HB1      LEU   2   7.515  13.218   3.973
   12    HG   LEU   2           HG       LEU   2   4.874  14.420   3.074
   13   HD11  LEU   2          HD11      LEU   2   6.566  16.205   2.991
   14   HD12  LEU   2          HD12      LEU   2   6.091  15.669   1.378
   15   HD13  LEU   2          HD13      LEU   2   7.645  15.128   2.042
   16   HD21  LEU   2          HD21      LEU   2   6.992  12.748   1.634
   17   HD22  LEU   2          HD22      LEU   2   5.460  13.323   0.948
   18   HD23  LEU   2          HD23      LEU   2   5.442  12.140   2.257
   19    H    LEU   3           HN       LEU   3   5.169  10.913   6.668
   20    HA   LEU   3           HA       LEU   3   7.813  10.906   8.094
   21    HB2  LEU   3           HB2      LEU   3   5.075  10.387   9.332
   22    HB3  LEU   3           HB1      LEU   3   6.625  10.044  10.078
   23    HG   LEU   3           HG       LEU   3   7.137  12.605   9.659
   24   HD11  LEU   3          HD11      LEU   3   5.119  14.006   9.997
   25   HD12  LEU   3          HD12      LEU   3   4.089  12.560   9.800
   26   HD13  LEU   3          HD13      LEU   3   5.077  13.163   8.442
   27   HD21  LEU   3          HD21      LEU   3   6.217  13.118  11.892
   28   HD22  LEU   3          HD22      LEU   3   7.023  11.546  11.863
   29   HD23  LEU   3          HD23      LEU   3   5.249  11.623  11.839
   30    H    SER   4           HN       SER   4   5.402   8.972   6.387
   31    HA   SER   4           HA       SER   4   6.457   6.422   7.269
   32    HB2  SER   4           HB2      SER   4   4.900   5.570   5.491
   33    HB3  SER   4           HB1      SER   4   4.140   6.609   6.715
   34    HG   SER   4           HG       SER   4   3.628   7.103   4.452
   35    H    LEU   5           HN       LEU   5   7.705   8.648   5.105
   36    HA   LEU   5           HA       LEU   5   9.041   6.583   3.391
   37    HB2  LEU   5           HB2      LEU   5   8.490   9.526   2.782
   38    HB3  LEU   5           HB1      LEU   5   9.370   8.394   1.768
   39    HG   LEU   5           HG       LEU   5   7.091   6.963   2.015
   40   HD11  LEU   5          HD11      LEU   5   6.097   9.853   2.036
   41   HD12  LEU   5          HD12      LEU   5   6.018   8.789   3.446
   42   HD13  LEU   5          HD13      LEU   5   5.126   8.368   1.986
   43   HD21  LEU   5          HD21      LEU   5   8.104   7.692  -0.119
   44   HD22  LEU   5          HD22      LEU   5   7.415   9.317   0.103
   45   HD23  LEU   5          HD23      LEU   5   6.348   7.914  -0.121
   46    H    ILE   6           HN       ILE   6   9.710   9.829   4.726
   47    HA   ILE   6           HA       ILE   6  12.510   9.681   4.469
   48    HB   ILE   6           HB       ILE   6  11.041  11.444   6.455
   49   HG12  ILE   6          HG12      ILE   6  11.523  12.092   3.503
   50   HG13  ILE   6          HG11      ILE   6   9.967  11.561   4.124
   51   HG21  ILE   6          HG21      ILE   6  13.530  11.519   6.569
   52   HG22  ILE   6          HG22      ILE   6  12.909  13.033   5.941
   53   HG23  ILE   6          HG23      ILE   6  13.607  11.843   4.827
   54   HD11  ILE   6          HD3       ILE   6   9.844  13.530   5.610
   55   HD12  ILE   6          HD1       ILE   6   9.891  13.919   3.883
   56   HD13  ILE   6          HD2       ILE   6  11.334  14.160   4.875
   57    H    ARG   7           HN       ARG   7  10.509   8.171   6.875
   58    HA   ARG   7           HA       ARG   7  12.312   7.870   9.028
   59    HB2  ARG   7           HB2      ARG   7  10.824   6.250   9.854
   60    HB3  ARG   7           HB1      ARG   7   9.934   7.553   9.163
   61    HG2  ARG   7           HG2      ARG   7   8.753   6.120   7.894
   62    HG3  ARG   7           HG1      ARG   7  10.184   5.604   7.046
   63    HD2  ARG   7           HD2      ARG   7   9.208   4.447   9.706
   64    HD3  ARG   7           HD1      ARG   7   8.799   3.799   8.123
   65    HE   ARG   7           HE       ARG   7  10.994   3.027   7.795
   66   HH11  ARG   7          HH11      ARG   7  10.875   4.561  10.963
   67   HH12  ARG   7          HH12      ARG   7  12.521   4.057  11.294
   68   HH21  ARG   7          HH21      ARG   7  13.008   2.341   8.433
   69   HH22  ARG   7          HH22      ARG   7  13.665   2.962   9.878
   70    H    LYS   8           HN       LYS   8  12.226   6.064   6.018
   71    HA   LYS   8           HA       LYS   8  14.047   3.918   6.991
   72    HB2  LYS   8           HB2      LYS   8  12.921   4.574   4.225
   73    HB3  LYS   8           HB1      LYS   8  13.972   3.201   4.589
   74    HG2  LYS   8           HG2      LYS   8  12.269   2.296   6.157
   75    HG3  LYS   8           HG1      LYS   8  11.186   3.645   5.751
   76    HD2  LYS   8           HD2      LYS   8  11.160   2.943   3.389
   77    HD3  LYS   8           HD1      LYS   8  12.275   1.609   3.758
   78    HE2  LYS   8           HE2      LYS   8  10.598   0.627   5.302
   79    HE3  LYS   8           HE1      LYS   8   9.485   1.963   4.951
   80    HZ1  LYS   8           HZ1      LYS   8   8.993  -0.005   3.611
   81    HZ2  LYS   8           HZ2      LYS   8  10.494   0.020   2.946
   82    HZ3  LYS   8           HZ3      LYS   8   9.440   1.243   2.641
   83    H    LEU   9           HN       LEU   9  14.339   7.046   5.564
   84    HA   LEU   9           HA       LEU   9  17.125   6.667   4.693
   85    HB2  LEU   9           HB2      LEU   9  15.172   8.996   4.770
   86    HB3  LEU   9           HB1      LEU   9  16.843   9.196   4.281
   87    HG   LEU   9           HG       LEU   9  15.160   7.078   2.897
   88   HD11  LEU   9          HD11      LEU   9  13.751   9.039   2.765
   89   HD12  LEU   9          HD12      LEU   9  14.512   8.756   1.199
   90   HD13  LEU   9          HD13      LEU   9  15.129  10.049   2.254
   91   HD21  LEU   9          HD21      LEU   9  16.636   7.697   0.995
   92   HD22  LEU   9          HD22      LEU   9  17.569   7.170   2.404
   93   HD23  LEU   9          HD23      LEU   9  17.442   8.899   2.009
   94    H    ILE  10           HN       ILE  10  15.465   7.593   7.607
   95    HA   ILE  10           HA       ILE  10  18.026   8.492   8.833
   96    HB   ILE  10           HB       ILE  10  16.666   9.479  10.633
   97   HG12  ILE  10          HG12      ILE  10  14.189  10.011   9.803
   98   HG13  ILE  10          HG11      ILE  10  14.349   8.462   8.998
   99   HG21  ILE  10          HG21      ILE  10  15.974  10.457   7.836
  100   HG22  ILE  10          HG22      ILE  10  17.496  10.768   8.705
  101   HG23  ILE  10          HG23      ILE  10  15.971  11.413   9.333
  102   HD11  ILE  10          HD3       ILE  10  13.210   8.354  11.205
  103   HD12  ILE  10          HD1       ILE  10  14.709   8.893  11.988
  104   HD13  ILE  10          HD2       ILE  10  14.643   7.335  11.129
  105    H    THR  11           HN       THR  11  15.710   5.815   9.161
  106    HA   THR  11           HA       THR  11  17.647   4.663  11.120
  107    HB   THR  11           HB       THR  11  15.756   3.528  12.323
  108    HG1  THR  11           HG1      THR  11  14.321   5.501  10.944
  109   HG21  THR  11          HG21      THR  11  16.119   6.523  12.593
  110   HG22  THR  11          HG22      THR  11  16.869   5.227  13.524
  111   HG23  THR  11          HG23      THR  11  15.137   5.554  13.711
  112    HN1  NH2  12           H2       NH2  12  17.494   1.623   9.446
  113    HN2  NH2  12           H1       NH2  12  18.357   2.697  10.542