*HEADER    PROTEIN BINDING                         29-JUN-09   2KL1              
*TITLE     SOLUTION STRUCTURE OF GTR34C FROM GEOBACILLUS                         
*TITLE    2 THERMODENITRIFICANS. NORTHEAST STRUCTURAL GENOMICS                   
*TITLE    3 CONSORTIUM TARGET GTR34C                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: YLBL PROTEIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 125-210;                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GEOBACILLUS THERMODENITRIFICANS NG80-           
*SOURCE   3 2;                                                                   
*SOURCE   4 ORGANISM_TAXID: 420246;                                              
*SOURCE   5 STRAIN: NG80-2;                                                      
*SOURCE   6 GENE: YLBL, GTNG_0967;                                               
*SOURCE   7 EXPRESSION_SYSTEM: GEOBACILLUS THERMODENITRIFICANS;                  
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 33940;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET 21-23C                                 
*KEYWDS    STRUCTURE GENOMICS, STRUCTURAL GENOMICS, PSI-2, PROTEIN               
*KEYWDS   2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS                  
*KEYWDS   3 CONSORTIUM, NESG, PROTEIN BINDING                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    H.LEE, H.WANG, C.CICCOSANTI, M.JIANG, R.NAIR, B.ROST,                 
*AUTHOR   2 T.B.ACTON, R.XIAO, G.SWAPNA, J.K.EVERTT, G.T.MONTELIONE,             
*AUTHOR   3 J.H.PRESTEGARD, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM             
*AUTHOR   4 (NESG)                                                               
*REVDAT   1   14-JUL-09 2KL1    0                                                


assign ( resid    2 and name   HB# ) ( resid    3 and name    HN )  5.01  3.21  0.00
assign ( resid    3 and name    HA ) ( resid    3 and name   HG# )  4.21  2.41  0.00
!+1.0
assign ( resid    3 and name    HA ) ( resid    4 and name    HN )  2.90  1.10  1.00
assign ( resid    3 and name    HN ) ( resid    3 and name   HG# )  4.01  2.21  0.00
assign ( resid    3 and name    HN ) ( resid    4 and name    HN )  4.48  2.68  0.00
assign ( resid    3 and name   HB# ) ( resid    4 and name    HN )  4.18  2.38  0.00
assign ( resid    3 and name   HG# ) ( resid    4 and name    HN )  4.44  2.64  0.00
!+1.0
assign ( resid    4 and name    HA ) ( resid    5 and name    HN )  2.76  0.96  1.00
assign ( resid    4 and name    HN ) ( resid    4 and name   HB# )  3.07  1.27  0.00
assign ( resid    5 and name    HA ) ( resid    6 and name    HN )  2.72  0.92  1.00 !+1.0
assign ( resid    5 and name    HN ) ( resid    5 and name   HB# )  3.57  1.77  0.00
!assign ( resid    5 and name    HN ) ( resid   27 and name   HB1 )  3.41  1.61  2.50 !+1.0,+1.5,+2.5
!+1.0
assign ( resid    5 and name   HB# ) ( resid    6 and name    HN )  3.42  1.62  1.00
!+1.0
assign ( resid    5 and name   HB# ) ( resid    8 and name   HE# )  4.20  2.40  1.00
assign ( resid    5 and name   HG# ) ( resid    5 and name   HD# )  2.72  0.92  0.00
assign ( resid    5 and name   HG# ) ( resid    6 and name    HN )  4.30  2.50  0.00
assign ( resid    6 and name    HN ) ( resid    7 and name   HG# )  4.61  2.81  0.00
!+1.0
assign ( resid    6 and name    HN ) ( resid    8 and name   HD# )  4.54  2.74  1.00
assign ( resid    6 and name    HN ) ( resid    8 and name   HE# )  4.37  2.57  0.00
!+1.0
!assign ( resid    6 and name    HN ) ( resid   27 and name   HB1 )  3.96  2.16  1.00
assign ( resid    6 and name    HN ) ( resid   27 and name   HB2 )  5.08  3.28  0.00
assign ( resid    6 and name    HN ) ( resid   27 and name   HD1 )  4.52  2.72  0.00
assign ( resid    6 and name    HN ) ( resid   27 and name   HD2 )  4.52  2.72  0.00
!+1.5, +2.0
assign ( resid    6 and name    HN ) ( resid   37 and name    HA )  3.91  2.11  2.00
!+1.0
assign ( resid    6 and name   HA# ) ( resid    7 and name    HB )  4.56  2.76  1.00
assign ( resid    7 and name    HA ) ( resid    7 and name  HG1# )  3.81  2.01  0.00
assign ( resid    7 and name    HA ) ( resid    7 and name  HG2# )  3.81  2.01  0.00
assign ( resid    7 and name    HA ) ( resid    8 and name    HN )  2.94  1.14  0.00
assign ( resid    7 and name    HA ) ( resid    8 and name   HD# )  4.40  2.60  0.00
assign ( resid    7 and name    HB ) ( resid   28 and name    HN )  4.58  2.78  0.00
assign ( resid    7 and name    HN ) ( resid    7 and name    HB )  3.71  1.91  0.00
assign ( resid    7 and name    HN ) ( resid    7 and name   HG# )  3.40  1.60  0.00
assign ( resid    7 and name    HN ) ( resid    8 and name    HN )  4.39  2.59  0.00
assign ( resid    7 and name    HN ) ( resid   27 and name    HA )  4.91  3.11  0.00
assign ( resid    7 and name    HN ) ( resid   28 and name    HN )  3.82  2.02  0.00
assign ( resid    7 and name   HG# ) ( resid    8 and name    HN )  3.05  1.25  0.00
assign ( resid    7 and name   HG# ) ( resid    8 and name   HD# )  4.96  3.16  0.00
assign ( resid    7 and name   HG# ) ( resid   28 and name    HN )  4.86  3.06  0.00
assign ( resid    7 and name   HG# ) ( resid   37 and name    HA )  4.50  2.70  0.00
assign ( resid    7 and name   HG# ) ( resid   38 and name    HN )  4.39  2.59  0.00
assign ( resid    8 and name    HN ) ( resid    8 and name   HB# )  3.21  1.41  0.00
assign ( resid    8 and name    HN ) ( resid    8 and name   HD# )  3.80  2.00  0.00
assign ( resid    8 and name    HN ) ( resid    9 and name    HN )  4.65  2.85  0.00
assign ( resid    8 and name   HB# ) ( resid    9 and name    HN )  4.03  2.23  0.00
assign ( resid    8 and name   HD# ) ( resid   27 and name   HB1 )  4.12  2.32  0.00
!+1.0
!assign ( resid    8 and name   HE# ) ( resid    9 and name    HN )  4.98  3.18  1.00
assign ( resid    9 and name    HA ) ( resid    9 and name  HG1# )  3.80  2.00  0.00
assign ( resid    9 and name    HA ) ( resid    9 and name  HG2# )  3.80  2.00  0.00
assign ( resid    9 and name    HA ) ( resid   10 and name    HN )  3.08  1.28  0.00
assign ( resid    9 and name    HB ) ( resid   24 and name    HA )  4.35  2.55  0.00
assign ( resid    9 and name    HB ) ( resid   25 and name    HN )  3.91  2.11  0.00
assign ( resid    9 and name    HB ) ( resid   26 and name    HN )  4.04  2.24  0.00
assign ( resid    9 and name    HN ) ( resid    9 and name    HB )  3.90  2.10  0.00
assign ( resid    9 and name    HN ) ( resid    9 and name   HG# )  3.17  1.37  0.00
assign ( resid    9 and name    HN ) ( resid    9 and name  HG1# )  4.08  2.28  0.00
assign ( resid    9 and name    HN ) ( resid    9 and name  HG2# )  4.08  2.28  0.00
assign ( resid    9 and name    HN ) ( resid   10 and name    HN )  4.78  2.98  0.00
assign ( resid    9 and name    HN ) ( resid   25 and name    HN )  4.29  2.49  0.00
assign ( resid    9 and name    HN ) ( resid   26 and name    HN )  4.62  2.82  0.00
assign ( resid    9 and name   HG# ) ( resid   10 and name    HN )  3.30  1.50  0.00
assign ( resid    9 and name   HG# ) ( resid   11 and name    HA )  4.75  2.95  0.00
assign ( resid    9 and name   HG# ) ( resid   11 and name    HN )  3.21  1.41  0.00
assign ( resid    9 and name   HG# ) ( resid   22 and name   HD# )  3.42  1.62  0.00
!+1.0
assign ( resid    9 and name   HG# ) ( resid   23 and name    HN )  3.76  1.96  0.50
assign ( resid    9 and name   HG# ) ( resid   24 and name    HA )  4.20  2.40  0.00
assign ( resid    9 and name   HG# ) ( resid   26 and name    HN )  3.74  1.94  0.00
assign ( resid    9 and name   HG# ) ( resid   26 and name   HB1 )  4.24  2.44  0.00
assign ( resid    9 and name   HG# ) ( resid   26 and name   HB2 )  4.66  2.86  0.00
!+1.0
assign ( resid    9 and name   HG# ) ( resid   86 and name    HA )  4.42  2.62  1.00
assign ( resid    9 and name  HG1# ) ( resid   10 and name    HN )  3.95  2.15  0.00
assign ( resid    9 and name  HG1# ) ( resid   26 and name   HB1 )  5.43  3.63  0.00
assign ( resid    9 and name  HG2# ) ( resid   10 and name    HN )  3.95  2.15  0.00
assign ( resid    9 and name  HG2# ) ( resid   26 and name   HB1 )  5.43  3.63  0.00
assign ( resid   10 and name    HN ) ( resid   10 and name   HB# )  3.34  1.54  0.00
assign ( resid   10 and name    HN ) ( resid   10 and name   HB1 )  3.84  2.04  0.00
assign ( resid   10 and name    HN ) ( resid   10 and name   HB2 )  3.84  2.04  0.00
assign ( resid   10 and name    HN ) ( resid   10 and name   HG# )  3.65  1.85  0.00
assign ( resid   10 and name    HN ) ( resid   10 and name   HG1 )  4.26  2.46  0.00
assign ( resid   10 and name    HN ) ( resid   10 and name   HG2 )  4.26  2.46  0.00
assign ( resid   10 and name    HN ) ( resid   11 and name    HN )  3.13  1.33  0.00
!+1.0
assign ( resid   10 and name    HN ) ( resid   86 and name    HA )  4.38  2.58  1.00
!+0.5,1.0
assign ( resid   10 and name    HN ) ( resid   86 and name   HG# )  3.90  2.10  1.00
!+0.5
assign ( resid   10 and name    HN ) ( resid   87 and name    HN )  4.50  2.70  0.50
assign ( resid   10 and name   HB# ) ( resid   11 and name    HA )  5.16  3.36  0.00
assign ( resid   10 and name   HB# ) ( resid   86 and name   HG# )  4.27  2.47  0.00
assign ( resid   10 and name   HB# ) ( resid   87 and name    HB )  4.42  2.62  0.00
assign ( resid   10 and name   HB# ) ( resid   87 and name    HN )  4.86  3.06  0.00
assign ( resid   10 and name   HB1 ) ( resid   11 and name    HN )  3.72  1.92  0.00
assign ( resid   10 and name   HB1 ) ( resid   87 and name    HB )  5.06  3.26  0.00
assign ( resid   10 and name   HB2 ) ( resid   11 and name    HN )  3.72  1.92  0.00
assign ( resid   10 and name   HB2 ) ( resid   87 and name    HB )  5.06  3.26  0.00
!+1.0
assign ( resid   10 and name   HG# ) ( resid   86 and name    HA )  4.76  2.96  1.00
assign ( resid   10 and name   HG1 ) ( resid   11 and name    HN )  4.63  2.83  0.00
assign ( resid   10 and name   HG2 ) ( resid   11 and name    HN )  4.63  2.83  0.00
assign ( resid   11 and name    HA ) ( resid   12 and name    HB )  5.80  4.00  0.00
assign ( resid   11 and name    HA ) ( resid   12 and name    HN )  3.31  1.51  0.00
assign ( resid   11 and name    HA ) ( resid   12 and name   HG# )  4.93  3.13  0.00
assign ( resid   11 and name    HA ) ( resid   24 and name   HB# )  4.00  2.20  0.00
assign ( resid   11 and name    HN ) ( resid   11 and name   HB# )  3.86  2.06  0.00
assign ( resid   11 and name    HN ) ( resid   12 and name    HN )  4.53  2.73  0.00
assign ( resid   11 and name    HN ) ( resid   24 and name    HA )  6.00  4.20  0.00
assign ( resid   11 and name    HN ) ( resid   24 and name   HB# )  5.65  3.85  0.00
!+1.0
assign ( resid   11 and name    HN ) ( resid   86 and name    HA )  4.33  2.53  1.50
!+1.0
assign ( resid   11 and name    HN ) ( resid   87 and name    HA )  4.26  2.46  1.50
assign ( resid   11 and name    HN ) ( resid   87 and name    HB )  3.91  2.11  0.00
!+1.0
assign ( resid   11 and name    HN ) ( resid   87 and name    HN )  3.33  1.53  1.00
!+1.0
assign ( resid   11 and name    HN ) ( resid   87 and name  HG2# )  4.35  2.55  1.00
assign ( resid   11 and name   HB# ) ( resid   12 and name    HN )  3.19  1.39  0.00
assign ( resid   12 and name    HA ) ( resid   13 and name    HN )  2.88  1.08  0.00
assign ( resid   12 and name    HB ) ( resid   13 and name    HN )  4.08  2.28  0.00
assign ( resid   12 and name    HN ) ( resid   12 and name    HB )  3.46  1.66  0.00
assign ( resid   12 and name    HN ) ( resid   12 and name   HG# )  3.08  1.28  0.00
assign ( resid   12 and name    HN ) ( resid   12 and name  HG1# )  3.75  1.95  0.00
assign ( resid   12 and name    HN ) ( resid   12 and name  HG2# )  3.75  1.95  0.00
assign ( resid   12 and name    HN ) ( resid   24 and name   HB# )  4.05  2.25  0.00
assign ( resid   12 and name   HG# ) ( resid   13 and name    HN )  3.24  1.44  0.00
assign ( resid   12 and name   HG# ) ( resid   19 and name    HA )  3.42  1.62  0.00
assign ( resid   12 and name   HG# ) ( resid   19 and name    HN )  4.23  2.43  0.00
assign ( resid   12 and name   HG# ) ( resid   19 and name   HB# )  3.72  1.92  0.00
assign ( resid   12 and name   HG# ) ( resid   20 and name    HN )  3.69  1.89  0.00
assign ( resid   12 and name   HG# ) ( resid   21 and name    HN )  4.57  2.77  0.00
assign ( resid   12 and name   HG# ) ( resid   22 and name    HN )  4.27  2.47  0.00
assign ( resid   12 and name   HG# ) ( resid   23 and name    HA )  3.58  1.78  0.00
!+1.0
assign ( resid   12 and name   HG# ) ( resid   23 and name    HN )  4.03  2.23  1.00
assign ( resid   12 and name   HG# ) ( resid   23 and name   HB1 )  4.70  2.90  0.00
assign ( resid   12 and name   HG# ) ( resid   24 and name    HA )  4.02  2.22  0.00
assign ( resid   12 and name   HG# ) ( resid   24 and name    HN )  3.17  1.37  0.00
assign ( resid   12 and name  HG1# ) ( resid   13 and name    HN )  4.67  2.87  0.00
assign ( resid   12 and name  HG1# ) ( resid   24 and name    HN )  4.43  2.63  0.00
assign ( resid   12 and name  HG2# ) ( resid   13 and name    HN )  4.67  2.87  0.00
assign ( resid   12 and name  HG2# ) ( resid   24 and name    HN )  4.43  2.63  0.00
assign ( resid   13 and name    HA ) ( resid   13 and name   HD# )  3.66  1.86  0.00
assign ( resid   13 and name    HA ) ( resid   13 and name  HD1# )  4.38  2.58  0.00
assign ( resid   13 and name    HA ) ( resid   13 and name  HD2# )  4.38  2.58  0.00
assign ( resid   13 and name    HA ) ( resid   14 and name   HD# )  3.37  1.57  0.00
assign ( resid   13 and name    HN ) ( resid   13 and name   HB1 )  3.25  1.45  0.00
assign ( resid   13 and name    HN ) ( resid   13 and name   HB2 )  3.25  1.45  0.00
assign ( resid   13 and name    HN ) ( resid   13 and name   HD# )  3.74  1.94  0.00
assign ( resid   13 and name    HN ) ( resid   14 and name   HD# )  4.69  2.89  0.00
assign ( resid   13 and name    HN ) ( resid   16 and name   HB# )  4.37  2.57  0.00
assign ( resid   13 and name    HN ) ( resid   16 and name   HG# )  4.49  2.69  0.00
assign ( resid   13 and name    HN ) ( resid   18 and name   HB# )  5.03  3.23  0.00
assign ( resid   13 and name    HN ) ( resid   19 and name    HN )  5.64  3.84  0.00
!+1.0,1.5,1.7
!assign ( resid   13 and name    HN ) ( resid   87 and name    HA )  4.29  2.49  1.70
assign ( resid   13 and name   HB# ) ( resid   14 and name   HD# )  4.26  2.46  0.00
assign ( resid   13 and name   HD# ) ( resid   14 and name   HD# )  4.31  2.51  0.00
assign ( resid   13 and name   HD# ) ( resid   16 and name   HG# )  5.57  3.77  0.00
assign ( resid   14 and name    HA ) ( resid   16 and name    HN )  4.57  2.77  0.00
assign ( resid   14 and name    HA ) ( resid   19 and name   HB# )  3.63  1.83  0.00
assign ( resid   14 and name   HB# ) ( resid   19 and name   HB# )  5.36  3.56  0.00
assign ( resid   14 and name   HG# ) ( resid   15 and name    HN )  4.69  2.89  0.00
assign ( resid   15 and name    HA ) ( resid   15 and name  HD2# )  4.65  2.85  0.00
assign ( resid   15 and name    HA ) ( resid   16 and name    HN )  3.31  1.51  0.00
assign ( resid   15 and name    HN ) ( resid   15 and name   HB# )  4.14  2.34  0.00
assign ( resid   15 and name    HN ) ( resid   16 and name    HN )  3.38  1.58  0.00
assign ( resid   15 and name    HN ) ( resid   19 and name   HB# )  4.23  2.43  0.00
assign ( resid   15 and name   HB# ) ( resid   15 and name  HD2# )  3.03  1.23  0.00
assign ( resid   15 and name   HB# ) ( resid   15 and name  HD21 )  3.65  1.85  0.00
assign ( resid   15 and name   HB# ) ( resid   15 and name  HD22 )  3.65  1.85  0.00
assign ( resid   15 and name   HB# ) ( resid   16 and name    HA )  4.98  3.18  0.00
assign ( resid   15 and name   HB# ) ( resid   16 and name    HN )  3.84  2.04  0.00
assign ( resid   15 and name   HB# ) ( resid   16 and name   HB# )  5.13  3.33  0.00
!+1.0
assign ( resid   16 and name    HA ) ( resid   17 and name   HB2 )  4.96  3.16  1.00
assign ( resid   16 and name    HA ) ( resid   17 and name   HD# )  3.52  1.72  0.00
assign ( resid   16 and name    HA ) ( resid   18 and name    HN )  5.12  3.32  0.00
assign ( resid   16 and name    HA ) ( resid   19 and name    HN )  4.98  3.18  0.00
assign ( resid   16 and name    HN ) ( resid   16 and name   HB# )  3.08  1.28  0.00
assign ( resid   16 and name    HN ) ( resid   16 and name   HG# )  4.03  2.23  0.00
assign ( resid   16 and name    HN ) ( resid   17 and name   HD# )  4.48  2.68  0.00
assign ( resid   16 and name    HN ) ( resid   17 and name   HD1 )  5.09  3.29  0.00
assign ( resid   16 and name    HN ) ( resid   17 and name   HD2 )  5.09  3.29  0.00
assign ( resid   16 and name    HN ) ( resid   18 and name    HN )  5.13  3.33  0.00
assign ( resid   16 and name    HN ) ( resid   19 and name    HA )  5.33  3.53  0.00
assign ( resid   16 and name    HN ) ( resid   19 and name    HN )  3.96  2.16  0.00
assign ( resid   16 and name    HN ) ( resid   19 and name   HB# )  3.06  1.26  0.00
assign ( resid   16 and name   HB# ) ( resid   17 and name   HD# )  4.42  2.62  0.00
assign ( resid   16 and name   HB# ) ( resid   18 and name    HN )  4.02  2.22  0.00
assign ( resid   16 and name   HB# ) ( resid   19 and name    HN )  4.42  2.62  0.00
assign ( resid   16 and name   HG# ) ( resid   19 and name   HB# )  5.67  3.87  0.00
assign ( resid   17 and name    HA ) ( resid   19 and name    HN )  4.12  2.32  0.00
assign ( resid   17 and name   HB2 ) ( resid   18 and name    HN )  4.43  2.63  0.00
assign ( resid   17 and name   HD# ) ( resid   18 and name    HN )  3.92  2.12  0.00
assign ( resid   17 and name   HD1 ) ( resid   18 and name    HN )  4.16  2.36  0.00
assign ( resid   17 and name   HD1 ) ( resid   18 and name    HN )  4.57  2.77  0.00
assign ( resid   17 and name   HD1 ) ( resid   18 and name   HB# )  5.07  3.27  0.00
!+1.0
!assign ( resid   17 and name   HD1 ) ( resid   70 and name   HB# )  4.89  3.09  1.00
!+1.0
assign ( resid   17 and name   HD1 ) ( resid   71 and name    HN )  4.36  2.56  1.00
assign ( resid   17 and name   HD2 ) ( resid   18 and name    HN )  4.57  2.77  0.00
assign ( resid   18 and name    HA ) ( resid   21 and name    HN )  4.60  2.80  0.00
assign ( resid   18 and name    HA ) ( resid   68 and name   HB# )  4.85  3.05  0.00
assign ( resid   18 and name    HA ) ( resid   69 and name    HN )  5.71  3.91  0.00
assign ( resid   18 and name    HN ) ( resid   18 and name   HB# )  2.94  1.14  0.00
assign ( resid   18 and name    HN ) ( resid   19 and name    HN )  2.97  1.17  0.00
assign ( resid   18 and name    HN ) ( resid   19 and name   HB# )  4.13  2.33  0.00
assign ( resid   18 and name   HB# ) ( resid   19 and name    HN )  3.38  1.58  0.00
assign ( resid   18 and name   HB# ) ( resid   19 and name   HB# )  4.93  3.13  0.00
!+1.0
assign ( resid   18 and name   HB# ) ( resid   21 and name    HN )  3.89  2.09  1.00
assign ( resid   18 and name   HB# ) ( resid   21 and name   HB# )  5.08  3.28  0.00
assign ( resid   18 and name   HB# ) ( resid   22 and name   HD# )  3.74  1.94  0.00
!+1.0
assign ( resid   18 and name   HB# ) ( resid   86 and name  HG1# )  3.69  1.89  1.00
!+1.0
assign ( resid   18 and name   HB# ) ( resid   86 and name  HG2# )  3.69  1.89  1.00
assign ( resid   19 and name    HA ) ( resid   20 and name    HN )  2.85  1.05  0.00
assign ( resid   19 and name    HA ) ( resid   21 and name    HN )  4.18  2.38  0.00
assign ( resid   19 and name    HN ) ( resid   19 and name   HB# )  2.61  0.81  0.00
assign ( resid   19 and name    HN ) ( resid   20 and name    HN )  4.42  2.62  0.00
assign ( resid   19 and name    HN ) ( resid   21 and name    HN )  4.47  2.67  0.00
assign ( resid   19 and name    HN ) ( resid   22 and name    HN )  5.39  3.59  0.00
assign ( resid   19 and name   HB# ) ( resid   20 and name    HN )  3.39  1.59  0.00
assign ( resid   19 and name   HB# ) ( resid   20 and name   HA# )  4.38  2.58  0.00
assign ( resid   20 and name    HN ) ( resid   21 and name    HN )  3.26  1.46  0.00
assign ( resid   20 and name    HN ) ( resid   22 and name    HN )  4.58  2.78  0.00
assign ( resid   20 and name   HA# ) ( resid   22 and name    HN )  5.73  3.93  0.00
assign ( resid   21 and name    HN ) ( resid   21 and name   HB# )  2.90  1.10  0.00
!+1.0
assign ( resid   21 and name    HN ) ( resid   21 and name   HD# )  4.08  2.28  1.00
assign ( resid   21 and name    HN ) ( resid   22 and name    HN )  2.75  0.95  0.00
assign ( resid   21 and name   HB# ) ( resid   22 and name    HN )  3.09  1.29  0.00
assign ( resid   21 and name   HB# ) ( resid   22 and name   HD# )  4.38  2.58  0.00
assign ( resid   21 and name   HB# ) ( resid   69 and name    HN )  4.49  2.69  0.00
assign ( resid   21 and name   HD# ) ( resid   22 and name    HN )  4.83  3.03  0.00
assign ( resid   21 and name   HD# ) ( resid   22 and name   HD# )  5.22  3.42  0.00
assign ( resid   21 and name   HD# ) ( resid   68 and name   HB# )  4.30  2.50  0.00
assign ( resid   21 and name   HD# ) ( resid   69 and name    HN )  4.53  2.73  0.00
assign ( resid   22 and name    HA ) ( resid   22 and name   HD# )  3.19  1.39  0.00
assign ( resid   22 and name    HA ) ( resid   22 and name  HD1# )  3.94  2.14  0.00
assign ( resid   22 and name    HA ) ( resid   22 and name  HD2# )  3.94  2.14  0.00
assign ( resid   22 and name    HA ) ( resid   23 and name    HA )  5.05  3.25  0.00
assign ( resid   22 and name    HA ) ( resid   23 and name    HN )  2.89  1.09  0.00
assign ( resid   22 and name    HA ) ( resid   68 and name   HB# )  5.21  3.41  0.00
assign ( resid   22 and name    HN ) ( resid   22 and name    HG )  4.57  2.77  0.00
assign ( resid   22 and name    HN ) ( resid   22 and name   HB# )  3.28  1.48  0.00
!assign ( resid   22 and name    HN ) ( resid   22 and name   HD# )  3.39  1.59  0.00
assign ( resid   22 and name    HN ) ( resid   22 and name  HD1# )  4.29  2.49  0.00
assign ( resid   22 and name    HN ) ( resid   22 and name  HD2# )  4.29  2.49  0.00
assign ( resid   22 and name    HN ) ( resid   23 and name    HN )  4.53  2.73  0.00
assign ( resid   22 and name    HN ) ( resid   23 and name   HG# )  5.00  3.20  0.00
assign ( resid   22 and name   HD# ) ( resid   23 and name    HN )  3.29  1.49  0.00
!+1.0
assign ( resid   22 and name   HD# ) ( resid   23 and name   HB1 )  4.52  2.72  1.00
assign ( resid   22 and name   HD# ) ( resid   26 and name    HN )  4.10  2.30  0.00
assign ( resid   22 and name   HD# ) ( resid   26 and name   HB1 )  4.96  3.16  0.00
assign ( resid   22 and name   HD# ) ( resid   26 and name   HB2 )  3.68  1.88  0.00
assign ( resid   22 and name   HD# ) ( resid   59 and name   HB2 )  3.89  2.09  0.00
assign ( resid   22 and name   HD# ) ( resid   59 and name   HD# )  3.29  1.49  0.00
assign ( resid   22 and name   HD# ) ( resid   59 and name   HE# )  3.96  2.16  0.00
assign ( resid   22 and name   HD# ) ( resid   68 and name   HB# )  3.68  1.88  0.00
assign ( resid   22 and name  HD1# ) ( resid   23 and name    HN )  4.25  2.45  0.00
assign ( resid   22 and name  HD1# ) ( resid   26 and name   HB2 )  4.39  2.59  0.00
assign ( resid   22 and name  HD1# ) ( resid   59 and name   HD# )  4.68  2.88  0.00
assign ( resid   22 and name  HD1# ) ( resid   59 and name   HE# )  4.57  2.77  0.00
assign ( resid   22 and name  HD1# ) ( resid   68 and name   HB# )  4.38  2.58  0.00
assign ( resid   22 and name  HD2# ) ( resid   23 and name    HN )  4.25  2.45  0.00
assign ( resid   22 and name  HD2# ) ( resid   26 and name   HB2 )  4.39  2.59  0.00
assign ( resid   22 and name  HD2# ) ( resid   59 and name   HD# )  4.68  2.88  0.00
assign ( resid   22 and name  HD2# ) ( resid   59 and name   HE# )  4.57  2.77  0.00
assign ( resid   22 and name  HD2# ) ( resid   68 and name   HB# )  4.38  2.58  0.00
assign ( resid   23 and name    HA ) ( resid   23 and name   HG# )  3.86  2.06  0.00
assign ( resid   23 and name    HA ) ( resid   24 and name    HA )  5.31  3.51  0.00
assign ( resid   23 and name    HA ) ( resid   24 and name    HN )  2.66  0.86  0.00
assign ( resid   23 and name    HA ) ( resid   24 and name   HB# )  4.41  2.61  0.00
!+1.0
assign ( resid   23 and name    HN ) ( resid   23 and name   HB1 )  3.36  1.56  1.00
assign ( resid   23 and name    HN ) ( resid   23 and name   HB2 )  3.69  1.89  0.00
assign ( resid   23 and name    HN ) ( resid   23 and name   HG# )  3.79  1.99  0.00
assign ( resid   23 and name    HN ) ( resid   24 and name    HA )  5.20  3.40  0.00
!+1.0
assign ( resid   23 and name    HN ) ( resid   24 and name    HN )  4.41  2.61  1.00
!Reomved
!assign ( resid   23 and name    HN ) ( resid   25 and name    HN )  5.32  3.52  0.00
assign ( resid   23 and name    HN ) ( resid   26 and name    HA )  5.79  3.99  0.00
assign ( resid   23 and name    HN ) ( resid   26 and name    HN )  4.30  2.50  0.00
assign ( resid   23 and name    HN ) ( resid   26 and name   HB1 )  3.94  2.14  0.00
assign ( resid   23 and name    HN ) ( resid   26 and name   HB2 )  4.99  3.19  0.00
assign ( resid   23 and name    HN ) ( resid   59 and name   HD# )  5.98  4.18  0.00
assign ( resid   23 and name   HB1 ) ( resid   24 and name    HN )  3.49  1.69  0.00
assign ( resid   23 and name   HB1 ) ( resid   26 and name    HN )  4.60  2.80  0.00
!+1.0
assign ( resid   23 and name   HB2 ) ( resid   24 and name    HN )  3.16  1.36  1.00
assign ( resid   23 and name   HG# ) ( resid   24 and name    HN )  4.05  2.25  0.00
assign ( resid   24 and name    HA ) ( resid   25 and name    HN )  2.79  0.99  0.00
assign ( resid   24 and name    HA ) ( resid   26 and name    HN )  3.79  1.99  0.00
assign ( resid   24 and name    HN ) ( resid   24 and name   HB# )  2.62  0.82  0.00
assign ( resid   24 and name    HN ) ( resid   25 and name    HN )  4.46  2.66  0.00
assign ( resid   24 and name    HN ) ( resid   26 and name    HN )  4.60  2.80  0.00
assign ( resid   24 and name   HB# ) ( resid   25 and name    HN )  3.45  1.65  0.00
assign ( resid   25 and name    HN ) ( resid   26 and name    HN )  3.22  1.42  0.00
!+1.0
assign ( resid   25 and name    HN ) ( resid   26 and name   HB1 )  5.07  3.27  1.00
assign ( resid   26 and name    HA ) ( resid   27 and name    HN )  3.02  1.22  0.00
!+1.0
assign ( resid   26 and name    HN ) ( resid   26 and name   HB1 )  3.10  1.30  1.00
!+1.0
assign ( resid   26 and name    HN ) ( resid   26 and name   HB2 )  3.04  1.24  1.00
assign ( resid   26 and name    HN ) ( resid   27 and name    HN )  4.64  2.84  0.00
assign ( resid   26 and name   HB1 ) ( resid   27 and name    HN )  4.10  2.30  0.00
assign ( resid   26 and name   HB2 ) ( resid   27 and name    HN )  3.81  2.01  0.00
assign ( resid   26 and name   HB2 ) ( resid   59 and name   HB1 )  4.94  3.14  0.00
assign ( resid   26 and name   HB2 ) ( resid   59 and name   HD# )  4.56  2.76  0.00
assign ( resid   26 and name   HB2 ) ( resid   60 and name    HN )  5.60  3.80  0.00
assign ( resid   27 and name    HA ) ( resid   28 and name    HN )  2.99  1.19  0.00
assign ( resid   27 and name    HN ) ( resid   27 and name   HB1 )  3.68  1.88  0.00
assign ( resid   27 and name    HN ) ( resid   27 and name   HB2 )  3.62  1.82  0.00
assign ( resid   27 and name    HN ) ( resid   27 and name   HD# )  4.97  3.17  0.00
assign ( resid   27 and name    HN ) ( resid   27 and name   HG# )  4.64  2.84  0.00
assign ( resid   27 and name    HN ) ( resid   28 and name    HN )  4.56  2.76  0.00
assign ( resid   27 and name    HN ) ( resid   29 and name    HN )  6.00  4.20  0.00
assign ( resid   27 and name    HN ) ( resid   59 and name    HA )  4.90  3.10  0.00
!+1.0
assign ( resid   27 and name    HN ) ( resid   59 and name   HB1 )  4.45  2.65  1.00
assign ( resid   27 and name    HN ) ( resid   59 and name   HD# )  4.77  2.97  0.00
assign ( resid   27 and name    HN ) ( resid   60 and name    HB )  4.69  2.89  0.00
assign ( resid   27 and name    HN ) ( resid   60 and name    HN )  3.71  1.91  0.00
assign ( resid   27 and name    HN ) ( resid   60 and name  HG2# )  4.32  2.52  0.00
assign ( resid   27 and name   HD# ) ( resid   28 and name    HN )  4.79  2.99  0.00
!+1.0
assign ( resid   27 and name   HD# ) ( resid   60 and name  HD1# )  4.18  2.38  1.00
assign ( resid   28 and name    HA ) ( resid   28 and name  HD1# )  3.64  1.84  0.00
assign ( resid   28 and name    HA ) ( resid   28 and name  HG2# )  3.63  1.83  0.00
assign ( resid   28 and name    HA ) ( resid   29 and name    HN )  3.07  1.27  0.00
assign ( resid   28 and name    HA ) ( resid   29 and name   HB# )  4.56  2.76  0.00
assign ( resid   28 and name    HA ) ( resid   30 and name    HN )  4.31  2.51  0.00
assign ( resid   28 and name    HA ) ( resid   59 and name    HA )  4.09  2.29  0.00
assign ( resid   28 and name    HA ) ( resid   59 and name   HB1 )  4.62  2.82  0.00
assign ( resid   28 and name    HA ) ( resid   59 and name   HB2 )  4.35  2.55  0.00
assign ( resid   28 and name    HA ) ( resid   60 and name    HN )  4.30  2.50  0.00
assign ( resid   28 and name    HB ) ( resid   28 and name  HD1# )  3.75  1.95  0.00
assign ( resid   28 and name    HB ) ( resid   29 and name    HN )  4.56  2.76  0.00
assign ( resid   28 and name    HN ) ( resid   28 and name    HB )  3.11  1.31  0.00
assign ( resid   28 and name  HD1# ) ( resid   30 and name    HN )  4.56  2.76  0.00
assign ( resid   28 and name  HD1# ) ( resid   57 and name   HG# )  3.48  1.68  0.00
assign ( resid   28 and name  HD1# ) ( resid   58 and name    HN )  4.90  3.10  0.00
assign ( resid   28 and name  HD1# ) ( resid   59 and name    HA )  3.53  1.73  0.00
assign ( resid   28 and name  HG2# ) ( resid   28 and name  HD1# )  3.37  1.57  0.00
assign ( resid   28 and name  HG2# ) ( resid   29 and name    HN )  3.41  1.61  0.00
assign ( resid   28 and name  HG2# ) ( resid   30 and name    HN )  3.12  1.32  0.00
assign ( resid   28 and name  HG2# ) ( resid   31 and name    HN )  4.55  2.75  0.00
assign ( resid   28 and name  HG2# ) ( resid   57 and name    HA )  4.31  2.51  0.00
assign ( resid   28 and name  HG2# ) ( resid   58 and name    HN )  3.42  1.62  0.00
assign ( resid   28 and name  HG2# ) ( resid   59 and name    HA )  3.76  1.96  0.00
!+0.5
assign ( resid   28 and name  HG2# ) ( resid   59 and name    HN )  4.54  2.74  0.50
assign ( resid   28 and name  HG2# ) ( resid   59 and name   HB2 )  4.51  2.71  0.00
assign ( resid   29 and name    HN ) ( resid   29 and name   HB# )  3.10  1.30  0.00
assign ( resid   29 and name    HN ) ( resid   30 and name    HN )  2.80  1.00  0.00
assign ( resid   29 and name    HN ) ( resid   57 and name   HG# )  4.60  2.80  0.00
assign ( resid   29 and name    HN ) ( resid   59 and name    HA )  3.36  1.56  0.00
assign ( resid   29 and name    HN ) ( resid   59 and name   HB1 )  4.46  2.66  0.00
assign ( resid   29 and name    HN ) ( resid   59 and name   HB2 )  4.27  2.47  0.00
assign ( resid   29 and name    HN ) ( resid   60 and name    HN )  4.35  2.55  0.00
assign ( resid   29 and name    HN ) ( resid   60 and name  HG1# )  5.72  3.92  0.00
assign ( resid   29 and name   HB# ) ( resid   30 and name    HN )  3.02  1.22  0.00
assign ( resid   29 and name   HB# ) ( resid   58 and name    HB )  4.82  3.02  0.00
assign ( resid   29 and name   HB# ) ( resid   59 and name    HA )  3.69  1.89  0.00
assign ( resid   29 and name   HB# ) ( resid   60 and name    HN )  3.69  1.89  0.00
assign ( resid   29 and name   HB# ) ( resid   60 and name  HD1# )  3.17  1.37  0.00
assign ( resid   30 and name    HA ) ( resid   31 and name    HN )  2.77  0.97  0.00
!+0.5
assign ( resid   30 and name    HA ) ( resid   31 and name  HD1# )  4.40  2.60  0.50
assign ( resid   30 and name    HA ) ( resid   36 and name    HN )  3.47  1.67  0.00
assign ( resid   30 and name    HA ) ( resid   36 and name  HG1# )  3.89  2.09  0.00
assign ( resid   30 and name    HA ) ( resid   58 and name    HN )  4.97  3.17  0.00
assign ( resid   30 and name    HN ) ( resid   30 and name   HB# )  3.09  1.29  0.00
assign ( resid   30 and name    HN ) ( resid   31 and name  HG1# )  4.85  3.05  0.00
assign ( resid   30 and name    HN ) ( resid   36 and name    HB )  4.66  2.86  0.00
assign ( resid   30 and name    HN ) ( resid   36 and name    HN )  4.56  2.76  0.00
assign ( resid   30 and name    HN ) ( resid   36 and name  HG1# )  4.22  2.42  0.00
assign ( resid   30 and name    HN ) ( resid   57 and name   HG# )  4.36  2.56  0.00
assign ( resid   30 and name    HN ) ( resid   58 and name    HA )  5.02  3.22  0.00
assign ( resid   30 and name    HN ) ( resid   58 and name    HB )  3.07  1.27  0.00
assign ( resid   30 and name    HN ) ( resid   58 and name    HN )  3.55  1.75  0.00
assign ( resid   30 and name    HN ) ( resid   58 and name  HG2# )  4.19  2.39  0.00
assign ( resid   30 and name    HN ) ( resid   59 and name    HA )  4.16  2.36  0.00
assign ( resid   30 and name   HB# ) ( resid   31 and name    HN )  2.96  1.16  0.00
assign ( resid   30 and name   HB# ) ( resid   33 and name    HN )  3.60  1.80  0.00
assign ( resid   30 and name   HB# ) ( resid   34 and name    HN )  3.44  1.64  0.00
assign ( resid   30 and name   HB# ) ( resid   35 and name    HA )  3.86  2.06  0.00
assign ( resid   30 and name   HB# ) ( resid   36 and name    HN )  3.69  1.89  0.00
assign ( resid   30 and name   HB# ) ( resid   58 and name    HB )  3.33  1.53  0.00
assign ( resid   31 and name    HA ) ( resid   31 and name  HG2# )  4.21  2.41  0.00
assign ( resid   31 and name    HA ) ( resid   32 and name    HN )  2.99  1.19  0.00
assign ( resid   31 and name    HA ) ( resid   33 and name    HN )  4.33  2.53  0.00
assign ( resid   31 and name    HA ) ( resid   58 and name    HN )  4.02  2.22  0.00
assign ( resid   31 and name    HB ) ( resid   31 and name  HD1# )  3.97  2.17  0.00
assign ( resid   31 and name    HB ) ( resid   57 and name   HG# )  4.03  2.23  0.00
assign ( resid   31 and name    HN ) ( resid   31 and name    HB )  3.38  1.58  0.00
assign ( resid   31 and name    HN ) ( resid   31 and name  HD1# )  4.86  3.06  0.00
assign ( resid   31 and name    HN ) ( resid   31 and name  HG2# )  4.05  2.25  0.00
assign ( resid   31 and name    HN ) ( resid   32 and name    HA )  6.00  4.20  0.00
assign ( resid   31 and name    HN ) ( resid   32 and name    HN )  4.17  2.37  0.00
assign ( resid   31 and name    HN ) ( resid   33 and name    HN )  4.46  2.66  0.00
!+1.0
assign ( resid   31 and name    HN ) ( resid   34 and name   HB# )  3.77  1.97  1.00
assign ( resid   31 and name    HN ) ( resid   34 and name   HG# )  4.48  2.68  0.00
assign ( resid   31 and name    HN ) ( resid   35 and name    HA )  4.40  2.60  0.00
assign ( resid   31 and name    HN ) ( resid   36 and name    HA )  6.00  4.20  0.00
!+1.0
assign ( resid   31 and name    HN ) ( resid   36 and name    HB )  4.64  2.84  1.00
assign ( resid   31 and name    HN ) ( resid   36 and name    HN )  4.69  2.89  0.00
assign ( resid   31 and name    HN ) ( resid   36 and name  HD1# )  3.38  1.58  0.00
assign ( resid   31 and name    HN ) ( resid   36 and name  HG1# )  4.83  3.03  0.00
assign ( resid   31 and name    HN ) ( resid   58 and name    HN )  5.08  3.28  0.00
assign ( resid   31 and name  HD1# ) ( resid   32 and name    HN )  5.14  3.34  0.00
assign ( resid   31 and name  HD1# ) ( resid   45 and name   HB1 )  4.37  2.57  0.00
assign ( resid   31 and name  HD1# ) ( resid   45 and name   HB2 )  4.41  2.61  0.00
assign ( resid   31 and name  HD1# ) ( resid   45 and name   HD# )  3.58  1.78  0.00
assign ( resid   31 and name  HG1# ) ( resid   32 and name    HN )  3.85  2.05  0.00
assign ( resid   31 and name  HG2# ) ( resid   32 and name    HN )  3.59  1.79  0.00
assign ( resid   31 and name  HG2# ) ( resid   32 and name   HB# )  4.02  2.22  0.00
assign ( resid   31 and name  HG2# ) ( resid   32 and name   HB1 )  4.57  2.77  0.00
assign ( resid   31 and name  HG2# ) ( resid   32 and name   HB2 )  4.57  2.77  0.00
assign ( resid   31 and name  HG2# ) ( resid   33 and name    HN )  4.99  3.19  0.00
assign ( resid   31 and name  HG2# ) ( resid   34 and name    HN )  4.62  2.82  0.00
assign ( resid   31 and name  HG2# ) ( resid   45 and name   HB1 )  4.45  2.65  0.00
assign ( resid   31 and name  HG2# ) ( resid   45 and name   HD# )  3.38  1.58  0.00
assign ( resid   31 and name  HG2# ) ( resid   45 and name   HE# )  3.58  1.78  0.00
assign ( resid   31 and name  HG2# ) ( resid   55 and name    HB )  4.24  2.44  0.00
!+0.5
assign ( resid   31 and name  HG2# ) ( resid   56 and name    HN )  4.05  2.25  0.50
assign ( resid   31 and name  HG2# ) ( resid   58 and name    HN )  4.79  2.99  0.00
assign ( resid   32 and name    HA ) ( resid   33 and name    HN )  3.25  1.45  0.00
assign ( resid   32 and name    HA ) ( resid   56 and name    HN )  3.93  2.13  0.00
assign ( resid   32 and name    HN ) ( resid   32 and name    HA )  2.93  1.13  0.00
assign ( resid   32 and name    HN ) ( resid   33 and name    HN )  3.36  1.56  0.00
assign ( resid   32 and name    HN ) ( resid   33 and name   HA# )  5.26  3.46  0.00
assign ( resid   32 and name    HN ) ( resid   34 and name    HN )  4.49  2.69  0.00
assign ( resid   32 and name    HN ) ( resid   34 and name   HG# )  5.31  3.51  0.00
!1.0
assign ( resid   32 and name    HN ) ( resid   56 and name    HN )  3.66  1.86  1.00
assign ( resid   32 and name    HN ) ( resid   56 and name   HB# )  3.65  1.85  0.00
assign ( resid   32 and name    HN ) ( resid   57 and name    HA )  4.09  2.29  0.00
assign ( resid   32 and name    HN ) ( resid   58 and name    HN )  4.63  2.83  0.00
assign ( resid   32 and name   HB# ) ( resid   33 and name    HN )  3.81  2.01  0.00
assign ( resid   32 and name   HB# ) ( resid   45 and name   HE# )  4.99  3.19  0.00
assign ( resid   32 and name   HB1 ) ( resid   33 and name    HN )  4.43  2.63  0.00
assign ( resid   32 and name   HB2 ) ( resid   33 and name    HN )  4.43  2.63  0.00
assign ( resid   33 and name    HN ) ( resid   34 and name    HN )  3.20  1.40  0.00
assign ( resid   33 and name    HN ) ( resid   34 and name   HB# )  4.81  3.01  0.00
assign ( resid   33 and name    HN ) ( resid   34 and name   HG# )  4.15  2.35  0.00
assign ( resid   33 and name    HN ) ( resid   56 and name   HB# )  5.17  3.37  0.00
assign ( resid   34 and name    HN ) ( resid   34 and name   HB# )  2.87  1.07  0.00
assign ( resid   34 and name    HN ) ( resid   34 and name   HG# )  2.99  1.19  0.00
assign ( resid   34 and name   HB# ) ( resid   34 and name   HG# )  2.76  0.96  0.00
assign ( resid   34 and name   HB# ) ( resid   35 and name   HD# )  3.58  1.78  0.00
assign ( resid   34 and name   HG# ) ( resid   35 and name   HD# )  4.46  2.66  0.00
assign ( resid   35 and name    HA ) ( resid   36 and name    HN )  2.96  1.16  0.00
assign ( resid   35 and name   HB# ) ( resid   36 and name    HN )  3.52  1.72  0.00
assign ( resid   35 and name   HB2 ) ( resid   36 and name    HN )  4.15  2.35  0.00
!+1.5
assign ( resid   35 and name   HD1 ) ( resid   36 and name    HN )  4.15  2.35  1.50
assign ( resid   36 and name    HA ) ( resid   36 and name  HD1# )  3.65  1.85  0.00
assign ( resid   36 and name    HA ) ( resid   36 and name  HG2# )  3.82  2.02  0.00
assign ( resid   36 and name    HA ) ( resid   37 and name    HN )  2.88  1.08  0.00
assign ( resid   36 and name    HA ) ( resid   37 and name   HB# )  4.82  3.02  0.00
assign ( resid   36 and name    HA ) ( resid   38 and name    HN )  3.76  1.96  0.00
assign ( resid   36 and name    HA ) ( resid   41 and name   HG# )  5.03  3.23  0.00
assign ( resid   36 and name    HB ) ( resid   37 and name    HN )  4.01  2.21  0.00
assign ( resid   36 and name    HB ) ( resid   38 and name    HN )  5.85  4.05  0.00
assign ( resid   36 and name    HN ) ( resid   36 and name    HB )  3.24  1.44  0.00
assign ( resid   36 and name    HN ) ( resid   36 and name  HD1# )  3.79  1.99  0.00
assign ( resid   36 and name    HN ) ( resid   36 and name  HG1# )  3.61  1.81  0.00
assign ( resid   36 and name    HN ) ( resid   36 and name  HG1# )  4.59  2.79  0.00
assign ( resid   36 and name    HN ) ( resid   36 and name  HG2# )  3.82  2.02  0.00
assign ( resid   36 and name    HN ) ( resid   37 and name    HN )  4.05  2.25  0.00
+1.0,1.5
assign ( resid   36 and name    HN ) ( resid   37 and name   HB# )  3.86  2.06  1.50
assign ( resid   36 and name  HD1# ) ( resid   37 and name    HN )  3.86  2.06  0.00
assign ( resid   36 and name  HD1# ) ( resid   41 and name    HN )  4.99  3.19  0.00
assign ( resid   36 and name  HD1# ) ( resid   41 and name   HB# )  3.39  1.59  0.00
assign ( resid   36 and name  HD1# ) ( resid   41 and name   HB1 )  3.99  2.19  0.00
assign ( resid   36 and name  HD1# ) ( resid   41 and name   HB2 )  3.99  2.19  0.00
assign ( resid   36 and name  HD1# ) ( resid   41 and name   HG# )  4.55  2.75  0.00
assign ( resid   36 and name  HD1# ) ( resid   42 and name    HA )  3.99  2.19  0.00
assign ( resid   36 and name  HD1# ) ( resid   42 and name    HN )  4.44  2.64  0.00
assign ( resid   36 and name  HD1# ) ( resid   42 and name  HG1# )  4.28  2.48  0.00
assign ( resid   36 and name  HD1# ) ( resid   42 and name  HG1# )  5.67  3.87  0.00
assign ( resid   36 and name  HG1# ) ( resid   37 and name    HN )  5.21  3.41  0.00
assign ( resid   36 and name  HG2# ) ( resid   37 and name    HN )  3.68  1.88  0.00
assign ( resid   36 and name  HG2# ) ( resid   38 and name    HN )  3.54  1.74  0.00
assign ( resid   36 and name  HG2# ) ( resid   41 and name    HN )  4.15  2.35  0.00
assign ( resid   36 and name  HG2# ) ( resid   41 and name   HB# )  3.56  1.76  0.00
assign ( resid   36 and name  HG2# ) ( resid   41 and name   HB1 )  4.11  2.31  0.00
assign ( resid   36 and name  HG2# ) ( resid   41 and name   HB2 )  4.11  2.31  0.00
assign ( resid   37 and name    HN ) ( resid   37 and name   HB# )  3.23  1.43  0.00
assign ( resid   37 and name    HN ) ( resid   38 and name    HN )  2.89  1.09  0.00
assign ( resid   37 and name    HN ) ( resid   38 and name  HG2# )  4.60  2.80  0.00
!+0.5
assign ( resid   37 and name    HN ) ( resid   41 and name    HN )  4.97  3.17  0.50
assign ( resid   37 and name    HN ) ( resid   41 and name   HB# )  3.87  2.07  0.00
assign ( resid   37 and name    HN ) ( resid   41 and name   HB1 )  4.43  2.63  0.00
assign ( resid   37 and name    HN ) ( resid   41 and name   HB2 )  4.43  2.63  0.00
assign ( resid   37 and name    HN ) ( resid   42 and name  HG1# )  5.48  3.68  0.00
assign ( resid   37 and name   HB# ) ( resid   38 and name    HN )  3.58  1.78  0.00
assign ( resid   37 and name   HB# ) ( resid   38 and name  HG2# )  4.03  2.23  0.00
assign ( resid   38 and name    HA ) ( resid   38 and name  HG2# )  3.77  1.97  0.00
assign ( resid   38 and name    HB ) ( resid   40 and name    HN )  3.30  1.50  0.00
assign ( resid   38 and name    HB ) ( resid   41 and name    HN )  4.13  2.33  0.00
assign ( resid   38 and name    HN ) ( resid   38 and name  HG2# )  3.66  1.86  0.00
assign ( resid   38 and name    HN ) ( resid   41 and name   HB# )  3.82  2.02  0.00
assign ( resid   38 and name    HN ) ( resid   41 and name   HB1 )  4.60  2.80  0.00
assign ( resid   38 and name    HN ) ( resid   41 and name   HB2 )  4.60  2.80  0.00
assign ( resid   38 and name    HN ) ( resid   41 and name   HG# )  4.87  3.07  0.00
assign ( resid   38 and name  HG2# ) ( resid   40 and name    HN )  4.04  2.24  0.00
assign ( resid   38 and name  HG2# ) ( resid   41 and name    HN )  4.08  2.28  0.00
assign ( resid   39 and name    HA ) ( resid   42 and name    HB )  4.60  2.80  0.00
assign ( resid   39 and name    HA ) ( resid   42 and name    HN )  4.43  2.63  0.00
assign ( resid   39 and name    HN ) ( resid   40 and name    HN )  3.77  1.97  0.00
assign ( resid   40 and name    HA ) ( resid   40 and name   HG# )  3.93  2.13  0.00
assign ( resid   40 and name    HA ) ( resid   42 and name    HN )  4.84  3.04  0.00
assign ( resid   40 and name    HA ) ( resid   43 and name    HB )  3.94  2.14  0.00
assign ( resid   40 and name    HA ) ( resid   43 and name    HN )  4.02  2.22  0.00
assign ( resid   40 and name    HA ) ( resid   44 and name    HN )  4.59  2.79  0.00
assign ( resid   40 and name    HN ) ( resid   40 and name   HB# )  3.21  1.41  0.00
assign ( resid   40 and name    HN ) ( resid   40 and name   HG# )  3.71  1.91  0.00
assign ( resid   40 and name    HN ) ( resid   41 and name    HN )  3.26  1.46  0.00
assign ( resid   40 and name    HN ) ( resid   42 and name    HN )  4.76  2.96  0.00
assign ( resid   40 and name   HB# ) ( resid   41 and name    HN )  3.39  1.59  0.00
assign ( resid   40 and name   HG# ) ( resid   42 and name    HN )  5.59  3.79  0.00
assign ( resid   41 and name    HA ) ( resid   41 and name   HG# )  4.02  2.22  0.00
assign ( resid   41 and name    HA ) ( resid   44 and name    HN )  4.66  2.86  0.00
assign ( resid   41 and name    HN ) ( resid   41 and name   HB# )  3.26  1.46  0.00
assign ( resid   41 and name    HN ) ( resid   41 and name   HB1 )  3.82  2.02  0.00
assign ( resid   41 and name    HN ) ( resid   41 and name   HB2 )  3.82  2.02  0.00
assign ( resid   41 and name    HN ) ( resid   41 and name   HG# )  4.03  2.23  0.00
assign ( resid   41 and name    HN ) ( resid   42 and name    HN )  3.21  1.41  0.00
assign ( resid   41 and name    HN ) ( resid   42 and name  HG1# )  4.90  3.10  0.00
assign ( resid   41 and name   HB# ) ( resid   42 and name    HN )  3.96  2.16  0.00
assign ( resid   41 and name   HB# ) ( resid   42 and name  HG2# )  5.81  4.01  0.00
assign ( resid   42 and name    HA ) ( resid   42 and name  HD1# )  3.93  2.13  0.00
assign ( resid   42 and name    HA ) ( resid   42 and name  HG1# )  3.55  1.75  0.00
assign ( resid   42 and name    HA ) ( resid   42 and name  HG1# )  4.21  2.41  0.00
assign ( resid   42 and name    HA ) ( resid   42 and name  HG2# )  3.57  1.77  0.00
assign ( resid   42 and name    HA ) ( resid   45 and name    HN )  4.20  2.40  0.00
assign ( resid   42 and name    HA ) ( resid   45 and name   HB1 )  4.63  2.83  0.00
assign ( resid   42 and name    HA ) ( resid   45 and name   HB2 )  4.56  2.76  0.00
assign ( resid   42 and name    HA ) ( resid   46 and name    HN )  4.78  2.98  0.00
assign ( resid   42 and name    HB ) ( resid   42 and name  HD1# )  3.85  2.05  0.00
assign ( resid   42 and name    HB ) ( resid   43 and name    HN )  3.41  1.61  0.00
assign ( resid   42 and name    HN ) ( resid   42 and name    HB )  3.26  1.46  0.00
assign ( resid   42 and name    HN ) ( resid   42 and name  HD1# )  3.83  2.03  0.00
assign ( resid   42 and name    HN ) ( resid   42 and name  HG1# )  3.54  1.74  0.00
assign ( resid   42 and name    HN ) ( resid   42 and name  HG1# )  3.54  1.74  0.00
assign ( resid   42 and name    HN ) ( resid   42 and name  HG2# )  3.82  2.02  0.00
assign ( resid   42 and name    HN ) ( resid   43 and name    HN )  3.23  1.43  0.00
assign ( resid   42 and name    HN ) ( resid   44 and name    HN )  4.48  2.68  0.00
assign ( resid   42 and name  HD1# ) ( resid   45 and name    HN )  4.98  3.18  0.00
assign ( resid   42 and name  HD1# ) ( resid   45 and name   HD# )  4.14  2.34  0.00
assign ( resid   42 and name  HD1# ) ( resid   46 and name    HN )  5.09  3.29  0.00
assign ( resid   42 and name  HG1# ) ( resid   43 and name    HN )  4.87  3.07  0.00
assign ( resid   42 and name  HG2# ) ( resid   42 and name  HG1# )  4.06  2.26  0.00
assign ( resid   42 and name  HG2# ) ( resid   43 and name    HN )  3.55  1.75  0.00
assign ( resid   42 and name  HG2# ) ( resid   46 and name    HN )  3.69  1.89  0.00
assign ( resid   42 and name  HG2# ) ( resid   46 and name   HG# )  3.73  1.93  0.00
assign ( resid   43 and name    HA ) ( resid   43 and name   HG# )  3.08  1.28  0.00
assign ( resid   43 and name    HA ) ( resid   43 and name  HG1# )  3.70  1.90  0.00
assign ( resid   43 and name    HA ) ( resid   43 and name  HG2# )  3.70  1.90  0.00
assign ( resid   43 and name    HA ) ( resid   46 and name    HB )  4.54  2.74  0.00
assign ( resid   43 and name    HA ) ( resid   46 and name    HN )  4.05  2.25  0.00
assign ( resid   43 and name    HA ) ( resid   46 and name   HG# )  3.95  2.15  0.00
assign ( resid   43 and name    HA ) ( resid   47 and name    HN )  4.64  2.84  0.00
assign ( resid   43 and name    HB ) ( resid   44 and name    HN )  3.15  1.35  0.00
assign ( resid   43 and name    HB ) ( resid   45 and name    HN )  4.81  3.01  0.00
assign ( resid   43 and name    HN ) ( resid   43 and name    HB )  3.59  1.79  0.00
assign ( resid   43 and name    HN ) ( resid   43 and name   HG# )  3.19  1.39  0.00
assign ( resid   43 and name    HN ) ( resid   43 and name  HG1# )  3.91  2.11  0.00
assign ( resid   43 and name    HN ) ( resid   43 and name  HG2# )  3.91  2.11  0.00
assign ( resid   43 and name    HN ) ( resid   44 and name    HN )  3.42  1.62  0.00
assign ( resid   43 and name   HG# ) ( resid   44 and name    HA )  3.80  2.00  0.00
assign ( resid   43 and name   HG# ) ( resid   44 and name    HN )  3.44  1.64  0.00
assign ( resid   43 and name   HG# ) ( resid   45 and name    HN )  4.87  3.07  0.00
assign ( resid   44 and name    HA ) ( resid   46 and name    HN )  5.04  3.24  0.00
assign ( resid   44 and name    HA ) ( resid   47 and name    HN )  4.61  2.81  0.00
assign ( resid   44 and name    HN ) ( resid   44 and name   HB# )  2.97  1.17  0.00
assign ( resid   44 and name    HN ) ( resid   45 and name    HN )  3.22  1.42  0.00
assign ( resid   44 and name    HN ) ( resid   45 and name   HB1 )  5.01  3.21  0.00
!+1.0
assign ( resid   44 and name    HN ) ( resid   45 and name   HB2 )  4.87  3.07  1.00
assign ( resid   44 and name   HB# ) ( resid   45 and name    HN )  3.62  1.82  0.00
assign ( resid   44 and name   HB# ) ( resid   46 and name    HN )  5.21  3.41  0.00
assign ( resid   45 and name    HA ) ( resid   45 and name   HD# )  3.41  1.61  0.00
assign ( resid   45 and name    HA ) ( resid   47 and name    HN )  4.63  2.83  0.00
assign ( resid   45 and name    HA ) ( resid   49 and name    HN )  3.96  2.16  1.00
assign ( resid   45 and name    HN ) ( resid   45 and name   HB1 )  3.29  1.49  0.00
assign ( resid   45 and name    HN ) ( resid   45 and name   HB2 )  3.33  1.53  0.00
assign ( resid   45 and name    HN ) ( resid   45 and name   HD# )  4.12  2.32  0.00
assign ( resid   45 and name    HN ) ( resid   46 and name    HN )  3.43  1.63  0.00
assign ( resid   45 and name    HN ) ( resid   46 and name   HG# )  4.62  2.82  0.00
assign ( resid   45 and name    HN ) ( resid   47 and name    HN )  4.78  2.98  0.00
assign ( resid   45 and name   HB1 ) ( resid   46 and name    HN )  3.78  1.98  0.00
!+0.5
assign ( resid   45 and name   HB2 ) ( resid   46 and name    HN )  3.46  1.66  0.50
!+0.5
assign ( resid   45 and name   HB2 ) ( resid   46 and name   HG# )  4.33  2.53  0.50
assign ( resid   45 and name   HD# ) ( resid   46 and name    HA )  4.58  2.78  0.00
!
assign ( resid   45 and name   HD# ) ( resid   46 and name    HB )  4.51  2.71  0.60
assign ( resid   45 and name   HD# ) ( resid   46 and name    HN )  4.09  2.29  0.00
assign ( resid   45 and name   HD# ) ( resid   46 and name   HG# )  3.72  1.92  0.00
!+1.0
assign ( resid   45 and name   HD# ) ( resid   55 and name  HG1# )  3.21  1.41  1.00
assign ( resid   45 and name   HE# ) ( resid   55 and name    HB )  4.50  2.70  0.00
assign ( resid   45 and name   HE# ) ( resid   55 and name  HG1# )  3.09  1.29  0.00
assign ( resid   45 and name   HE# ) ( resid   55 and name  HG2# )  3.68  1.88  0.00
assign ( resid   46 and name    HA ) ( resid   46 and name  HG1# )  3.69  1.89  0.00
assign ( resid   46 and name    HA ) ( resid   46 and name  HG2# )  3.69  1.89  0.00
assign ( resid   46 and name    HA ) ( resid   49 and name    HN )  4.37  2.57  0.00
!+1.0
assign ( resid   46 and name    HA ) ( resid   49 and name   HG# )  4.63  2.83  1.00
assign ( resid   46 and name    HA ) ( resid   72 and name    HG )  4.08  2.28  0.00
!+0.67
!assign ( resid   46 and name    HA ) ( resid   84 and name    HA )  5.33  3.53  0.67
assign ( resid   46 and name    HB ) ( resid   72 and name   HD# )  4.54  2.74  0.00
assign ( resid   46 and name    HB ) ( resid   82 and name  HG2# )  6.00  4.20  0.00
assign ( resid   46 and name    HN ) ( resid   46 and name    HB )  3.25  1.45  0.00
assign ( resid   46 and name    HN ) ( resid   46 and name   HG# )  2.94  1.14  0.00
assign ( resid   46 and name    HN ) ( resid   46 and name  HG1# )  3.43  1.63  0.00
assign ( resid   46 and name    HN ) ( resid   46 and name  HG2# )  3.43  1.63  0.00
assign ( resid   46 and name    HN ) ( resid   47 and name    HN )  3.54  1.74  0.00
assign ( resid   46 and name    HN ) ( resid   49 and name    HN )  5.54  3.74  0.00
assign ( resid   46 and name    HN ) ( resid   72 and name   HD# )  4.76  2.96  0.00
!+0.9
!assign ( resid   46 and name    HN ) ( resid   84 and name   HB# )  4.99  3.19  0.90
assign ( resid   46 and name   HG# ) ( resid   47 and name    HN )  4.60  2.80  0.00
assign ( resid   46 and name   HG# ) ( resid   72 and name   HD# )  3.82  2.02  0.00
assign ( resid   46 and name   HG# ) ( resid   82 and name    HB )  3.71  1.91  0.00
!+1.0
assign ( resid   46 and name   HG# ) ( resid   83 and name    HN )  3.51  1.71  1.00
assign ( resid   46 and name   HG# ) ( resid   83 and name   HA# )  4.09  2.29  0.00
assign ( resid   46 and name   HG# ) ( resid   84 and name   HB# )  4.49  2.69  0.00
assign ( resid   46 and name  HG1# ) ( resid   82 and name    HB )  4.45  2.65  0.00
assign ( resid   46 and name  HG1# ) ( resid   83 and name    HN )  4.25  2.45  0.00
assign ( resid   46 and name  HG2# ) ( resid   82 and name    HB )  4.45  2.65  0.00
!+1.0
!assign ( resid   46 and name  HG2# ) ( resid   83 and name    HN )  4.25  2.45  1.00
assign ( resid   47 and name    HN ) ( resid   49 and name    HN )  4.80  3.00  0.00
assign ( resid   49 and name    HA ) ( resid   49 and name   HD# )  3.60  1.80  0.00
!+0.5
assign ( resid   49 and name    HA ) ( resid   55 and name  HG1# )  5.06  3.26  0.50
assign ( resid   49 and name    HN ) ( resid   49 and name   HB2 )  3.98  2.18  0.00
assign ( resid   49 and name    HN ) ( resid   49 and name   HG# )  3.71  1.91  0.00
assign ( resid   49 and name    HN ) ( resid   50 and name    HN )  5.24  3.44  0.00
assign ( resid   49 and name    HN ) ( resid   55 and name  HG1# )  4.96  3.16  0.00
assign ( resid   49 and name    HN ) ( resid   72 and name    HG )  5.36  3.56  0.00
assign ( resid   49 and name    HN ) ( resid   72 and name   HD# )  5.06  3.26  0.00
assign ( resid   49 and name   HB2 ) ( resid   49 and name   HD# )  3.99  2.19  0.00
assign ( resid   49 and name   HB2 ) ( resid   50 and name    HN )  3.58  1.78  0.00
!+1.0
assign ( resid   49 and name   HB2 ) ( resid   53 and name    HN )  4.66  2.86  1.00
assign ( resid   49 and name   HB2 ) ( resid   53 and name   HB1 )  4.82  3.02  0.00
assign ( resid   49 and name   HB2 ) ( resid   53 and name   HB2 )  4.11  2.31  0.00
!+1.0
assign ( resid   49 and name   HB2 ) ( resid   54 and name    HN )  4.51  2.71  1.00
assign ( resid   49 and name   HB2 ) ( resid   72 and name    HG )  3.78  1.98  0.00
assign ( resid   49 and name   HD# ) ( resid   50 and name    HN )  4.43  2.63  0.00
assign ( resid   49 and name   HD# ) ( resid   53 and name   HB1 )  5.06  3.26  0.00
assign ( resid   49 and name   HD# ) ( resid   53 and name   HB2 )  4.84  3.04  0.00
assign ( resid   49 and name   HD# ) ( resid   55 and name    HB )  5.89  4.09  0.00
assign ( resid   49 and name   HD# ) ( resid   55 and name  HG1# )  3.04  1.24  0.00
assign ( resid   49 and name   HG# ) ( resid   54 and name    HN )  5.37  3.57  0.00
assign ( resid   49 and name   HG# ) ( resid   55 and name  HG1# )  3.41  1.61  0.00
assign ( resid   50 and name    HA ) ( resid   50 and name   HG# )  3.86  2.06  0.00
assign ( resid   50 and name    HA ) ( resid   51 and name    HN )  2.69  0.89  0.00
assign ( resid   50 and name    HA ) ( resid   53 and name   HB1 )  5.09  3.29  0.00
assign ( resid   50 and name    HA ) ( resid   82 and name  HD1# )  3.97  2.17  0.00
assign ( resid   50 and name    HN ) ( resid   50 and name   HB# )  3.50  1.70  0.00
assign ( resid   50 and name    HN ) ( resid   50 and name   HG# )  4.23  2.43  0.00
assign ( resid   50 and name    HN ) ( resid   53 and name   HB1 )  4.55  2.75  0.00
assign ( resid   50 and name    HN ) ( resid   72 and name    HG )  5.08  3.28  0.00
assign ( resid   50 and name    HN ) ( resid   82 and name  HD1# )  6.00  4.20  0.00
assign ( resid   50 and name    HN ) ( resid   82 and name  HG2# )  6.00  4.20  0.00
assign ( resid   50 and name   HB# ) ( resid   51 and name    HN )  3.02  1.22  0.00
assign ( resid   50 and name   HB# ) ( resid   53 and name   HB2 )  5.81  4.01  0.00
assign ( resid   50 and name   HG# ) ( resid   51 and name    HN )  3.73  1.93  0.00
assign ( resid   50 and name   HG# ) ( resid   53 and name    HN )  4.43  2.63  0.00
assign ( resid   51 and name    HA ) ( resid   52 and name    HN )  2.83  1.03  0.00
assign ( resid   51 and name    HA ) ( resid   53 and name    HN )  3.52  1.72  0.00
assign ( resid   51 and name    HA ) ( resid   72 and name    HG )  4.86  3.06  0.00
assign ( resid   51 and name    HA ) ( resid   72 and name    HN )  5.33  3.53  0.00
assign ( resid   51 and name    HA ) ( resid   72 and name   HB1 )  4.33  2.53  0.00
assign ( resid   51 and name    HA ) ( resid   72 and name   HB2 )  4.82  3.02  0.00
assign ( resid   51 and name    HA ) ( resid   82 and name  HD1# )  4.77  2.97  0.00
assign ( resid   51 and name    HA ) ( resid   82 and name  HG2# )  3.77  1.97  0.00
assign ( resid   51 and name    HN ) ( resid   51 and name   HB# )  2.68  0.88  0.00
assign ( resid   51 and name    HN ) ( resid   53 and name    HN )  4.69  2.89  0.00
assign ( resid   51 and name    HN ) ( resid   82 and name  HD1# )  4.23  2.43  0.00
assign ( resid   51 and name    HN ) ( resid   82 and name  HG2# )  3.55  1.75  0.00
assign ( resid   51 and name   HB# ) ( resid   52 and name    HN )  3.48  1.68  0.00
assign ( resid   51 and name   HB# ) ( resid   53 and name    HN )  4.71  2.91  0.00
!+1.0
assign ( resid   51 and name   HB# ) ( resid   74 and name   HB2 )  3.80  2.00  1.00
assign ( resid   51 and name   HB# ) ( resid   74 and name   HD# )  3.98  2.18  0.00
assign ( resid   51 and name   HB# ) ( resid   74 and name   HG# )  4.10  2.30  0.00
assign ( resid   51 and name   HB# ) ( resid   82 and name  HD1# )  3.73  1.93  0.00
assign ( resid   51 and name   HB# ) ( resid   82 and name  HG2# )  3.88  2.08  0.00
assign ( resid   52 and name    HN ) ( resid   53 and name    HA )  5.16  3.36  0.00
assign ( resid   52 and name    HN ) ( resid   53 and name    HN )  3.02  1.22  0.00
assign ( resid   52 and name    HN ) ( resid   53 and name   HB1 )  4.85  3.05  0.00
assign ( resid   52 and name    HN ) ( resid   72 and name    HA )  4.85  3.05  0.00
assign ( resid   52 and name    HN ) ( resid   72 and name   HB1 )  3.96  2.16  0.00
assign ( resid   52 and name    HN ) ( resid   72 and name   HB2 )  4.37  2.57  0.00
assign ( resid   52 and name    HN ) ( resid   72 and name   HD# )  5.26  3.46  0.00
assign ( resid   52 and name    HN ) ( resid   73 and name    HA )  4.44  2.64  0.00
assign ( resid   52 and name    HN ) ( resid   82 and name  HG2# )  5.49  3.69  0.00
assign ( resid   52 and name   HA# ) ( resid   53 and name    HN )  3.09  1.29  0.00
assign ( resid   53 and name    HA ) ( resid   54 and name    HN )  2.80  1.00  0.00
assign ( resid   53 and name    HN ) ( resid   53 and name   HB1 )  2.85  1.05  0.00
assign ( resid   53 and name    HN ) ( resid   53 and name   HB2 )  3.09  1.29  0.00
assign ( resid   53 and name    HN ) ( resid   54 and name    HN )  4.73  2.93  0.00
assign ( resid   53 and name    HN ) ( resid   72 and name    HG )  4.09  2.29  0.00
assign ( resid   53 and name    HN ) ( resid   72 and name    HN )  4.45  2.65  0.00
!+0.5
assign ( resid   53 and name    HN ) ( resid   72 and name   HB1 )  3.46  1.66  0.50
assign ( resid   53 and name    HN ) ( resid   72 and name   HB2 )  3.93  2.13  0.00
assign ( resid   53 and name   HB1 ) ( resid   54 and name    HN )  3.76  1.96  0.00
assign ( resid   53 and name   HB1 ) ( resid   72 and name    HG )  3.86  2.06  0.00
!+0.5
assign ( resid   53 and name   HB2 ) ( resid   54 and name    HN )  3.25  1.45  0.50
!+1.0
assign ( resid   53 and name   HB2 ) ( resid   55 and name  HG2# )  4.68  2.88  1.00
assign ( resid   53 and name   HB2 ) ( resid   72 and name    HG )  4.12  2.32  0.00
assign ( resid   53 and name   HB2 ) ( resid   72 and name    HN )  5.04  3.24  0.00
assign ( resid   54 and name    HA ) ( resid   54 and name   HD# )  4.91  3.11  0.00
assign ( resid   54 and name    HA ) ( resid   55 and name    HN )  2.89  1.09  0.00
assign ( resid   54 and name    HA ) ( resid   55 and name  HG2# )  3.84  2.04  0.00
assign ( resid   54 and name    HA ) ( resid   71 and name    HA )  4.27  2.47  0.00
assign ( resid   54 and name    HA ) ( resid   71 and name    HN )  4.93  3.13  0.00
assign ( resid   54 and name    HA ) ( resid   71 and name   HG# )  4.14  2.34  0.00
assign ( resid   54 and name    HA ) ( resid   72 and name    HN )  4.16  2.36  0.00
assign ( resid   54 and name    HN ) ( resid   54 and name   HB# )  3.62  1.82  0.00
!+1.0
assign ( resid   54 and name    HN ) ( resid   54 and name   HD# )  4.05  2.25  1.00
assign ( resid   54 and name    HN ) ( resid   54 and name   HG# )  3.82  2.02  0.00
assign ( resid   54 and name    HN ) ( resid   55 and name    HN )  4.16  2.36  0.00
assign ( resid   54 and name    HN ) ( resid   55 and name  HG1# )  4.52  2.72  0.00
!+1.0
assign ( resid   54 and name    HN ) ( resid   55 and name  HG2# )  4.02  2.22  1.00
assign ( resid   54 and name   HB# ) ( resid   54 and name   HD# )  3.78  1.98  0.00
assign ( resid   54 and name   HB# ) ( resid   55 and name    HA )  4.86  3.06  0.00
assign ( resid   54 and name   HB# ) ( resid   55 and name    HN )  3.51  1.71  0.00
assign ( resid   54 and name   HB# ) ( resid   71 and name    HA )  4.73  2.93  0.00
assign ( resid   54 and name   HB# ) ( resid   71 and name   HG# )  3.84  2.04  0.00
assign ( resid   54 and name   HD# ) ( resid   71 and name   HG# )  4.01  2.21  0.00
assign ( resid   54 and name   HG# ) ( resid   55 and name    HA )  5.50  3.70  0.00
assign ( resid   54 and name   HG# ) ( resid   71 and name   HG# )  3.94  2.14  0.00
assign ( resid   55 and name    HA ) ( resid   55 and name  HG1# )  3.67  1.87  0.00
assign ( resid   55 and name    HA ) ( resid   55 and name  HG2# )  4.19  2.39  0.00
assign ( resid   55 and name    HA ) ( resid   56 and name    HN )  2.64  0.84  0.00
assign ( resid   55 and name    HB ) ( resid   56 and name    HN )  3.22  1.42  0.00
assign ( resid   55 and name    HN ) ( resid   55 and name    HB )  4.00  2.20  0.00
assign ( resid   55 and name    HN ) ( resid   55 and name  HG1# )  3.76  1.96  0.00
assign ( resid   55 and name    HN ) ( resid   55 and name  HG2# )  3.22  1.42  0.00
assign ( resid   55 and name    HN ) ( resid   71 and name    HA )  3.93  2.13  0.00
assign ( resid   55 and name    HN ) ( resid   72 and name    HN )  4.66  2.86  0.00
assign ( resid   55 and name  HG1# ) ( resid   56 and name    HN )  3.50  1.70  0.00
assign ( resid   55 and name  HG2# ) ( resid   56 and name    HN )  3.83  2.03  0.00
assign ( resid   55 and name  HG2# ) ( resid   70 and name    HN )  3.63  1.83  0.00
assign ( resid   55 and name  HG2# ) ( resid   70 and name   HB# )  3.83  2.03  0.00
assign ( resid   55 and name  HG2# ) ( resid   72 and name    HN )  3.99  2.19  0.00
assign ( resid   56 and name    HA ) ( resid   57 and name    HN )  2.74  0.94  0.00
assign ( resid   56 and name    HA ) ( resid   68 and name    HN )  4.47  2.67  0.00
assign ( resid   56 and name    HN ) ( resid   56 and name   HB# )  3.01  1.21  0.00
assign ( resid   56 and name    HN ) ( resid   56 and name   HD# )  4.51  2.71  0.00
assign ( resid   56 and name    HN ) ( resid   57 and name    HN )  4.24  2.44  0.00
assign ( resid   56 and name   HB# ) ( resid   56 and name   HD# )  3.57  1.77  0.00
assign ( resid   56 and name   HB# ) ( resid   57 and name    HN )  3.72  1.92  0.00
assign ( resid   56 and name   HD# ) ( resid   57 and name    HN )  5.06  3.26  0.00
assign ( resid   56 and name   HD# ) ( resid   69 and name   HG# )  4.55  2.75  0.00
assign ( resid   56 and name   HD# ) ( resid   70 and name    HN )  5.51  3.71  0.00
assign ( resid   57 and name    HA ) ( resid   58 and name    HN )  2.80  1.00  0.00
assign ( resid   57 and name    HA ) ( resid   68 and name   HB# )  4.81  3.01  0.00
assign ( resid   57 and name    HB ) ( resid   58 and name    HN )  4.21  2.41  0.00
assign ( resid   57 and name    HB ) ( resid   68 and name    HN )  4.19  2.39  0.00
assign ( resid   57 and name    HB ) ( resid   68 and name   HB# )  4.05  2.25  0.00
assign ( resid   57 and name    HN ) ( resid   57 and name    HB )  3.11  1.31  0.00
assign ( resid   57 and name    HN ) ( resid   58 and name    HN )  4.39  2.59  0.00
assign ( resid   57 and name    HN ) ( resid   67 and name    HA )  4.67  2.87  0.00
assign ( resid   57 and name    HN ) ( resid   67 and name   HG# )  5.18  3.38  0.00
assign ( resid   57 and name    HN ) ( resid   68 and name    HN )  3.31  1.51  0.00
assign ( resid   57 and name    HN ) ( resid   68 and name   HB# )  3.73  1.93  0.00
assign ( resid   57 and name    HN ) ( resid   69 and name    HA )  3.48  1.68  0.00
assign ( resid   57 and name    HN ) ( resid   69 and name    HN )  4.77  2.97  0.00
assign ( resid   57 and name    HN ) ( resid   70 and name    HN )  4.28  2.48  0.00
assign ( resid   57 and name   HG# ) ( resid   58 and name    HN )  3.28  1.48  0.00
assign ( resid   57 and name   HG# ) ( resid   59 and name    HA )  4.67  2.87  0.00
!+1.0
assign ( resid   57 and name   HG# ) ( resid   59 and name    HN )  3.91  2.11  1.00
!+1.50
assign ( resid   57 and name   HG# ) ( resid   59 and name   HB2 )  3.78  1.98  1.50
assign ( resid   57 and name   HG# ) ( resid   59 and name   HD# )  3.75  1.95  0.00
assign ( resid   57 and name   HG# ) ( resid   68 and name    HN )  4.50  2.70  0.00
assign ( resid   58 and name    HA ) ( resid   58 and name  HG2# )  3.43  1.63  0.00
assign ( resid   58 and name    HA ) ( resid   59 and name    HN )  2.79  0.99  0.00
assign ( resid   58 and name    HA ) ( resid   66 and name    HN )  4.82  3.02  0.00
assign ( resid   58 and name    HA ) ( resid   67 and name    HA )  3.89  2.09  0.00
assign ( resid   58 and name    HA ) ( resid   67 and name    HN )  4.53  2.73  0.00
assign ( resid   58 and name    HA ) ( resid   67 and name   HG# )  4.24  2.44  0.00
assign ( resid   58 and name    HA ) ( resid   68 and name    HN )  3.85  2.05  0.00
assign ( resid   58 and name    HB ) ( resid   59 and name    HN )  4.28  2.48  0.00
assign ( resid   58 and name    HN ) ( resid   58 and name    HB )  3.26  1.46  0.00
assign ( resid   58 and name    HN ) ( resid   58 and name  HG2# )  3.86  2.06  0.00
!+0.5
assign ( resid   58 and name    HN ) ( resid   59 and name    HN )  4.21  2.41  0.50
assign ( resid   58 and name    HN ) ( resid   68 and name   HB# )  5.53  3.73  0.00
assign ( resid   58 and name  HG2# ) ( resid   59 and name    HN )  3.23  1.43  0.00
assign ( resid   58 and name  HG2# ) ( resid   65 and name   HB# )  4.62  2.82  0.00
assign ( resid   58 and name  HG2# ) ( resid   66 and name    HN )  4.00  2.20  0.00
assign ( resid   58 and name  HG2# ) ( resid   67 and name    HA )  4.57  2.77  0.00
assign ( resid   58 and name  HG2# ) ( resid   68 and name    HN )  5.33  3.53  0.00
assign ( resid   59 and name    HA ) ( resid   59 and name   HD# )  4.48  2.68  0.00
assign ( resid   59 and name    HA ) ( resid   60 and name    HB )  5.06  3.26  0.00
assign ( resid   59 and name    HA ) ( resid   60 and name    HN )  3.11  1.31  0.00
assign ( resid   59 and name    HA ) ( resid   60 and name  HD1# )  3.65  1.85  0.00
assign ( resid   59 and name    HN ) ( resid   59 and name   HB1 )  4.19  2.39  0.00
assign ( resid   59 and name    HN ) ( resid   59 and name   HB2 )  4.11  2.31  0.00
assign ( resid   59 and name    HN ) ( resid   59 and name   HD# )  3.86  2.06  0.00
assign ( resid   59 and name    HN ) ( resid   59 and name   HE# )  4.34  2.54  0.00
assign ( resid   59 and name    HN ) ( resid   60 and name    HA )  4.95  3.15  0.00
assign ( resid   59 and name    HN ) ( resid   65 and name    HA )  5.19  3.39  0.00
assign ( resid   59 and name    HN ) ( resid   66 and name    HN )  3.38  1.58  0.00
assign ( resid   59 and name    HN ) ( resid   66 and name   HB2 )  4.71  2.91  0.00
assign ( resid   59 and name    HN ) ( resid   67 and name    HA )  3.73  1.93  0.00
assign ( resid   59 and name    HN ) ( resid   67 and name    HN )  4.85  3.05  0.00
assign ( resid   59 and name    HN ) ( resid   67 and name   HG# )  4.85  3.05  0.00
assign ( resid   59 and name    HN ) ( resid   68 and name    HN )  4.56  2.76  0.00
assign ( resid   59 and name    HN ) ( resid   68 and name   HB# )  4.64  2.84  0.00
!+1.0
assign ( resid   59 and name   HB1 ) ( resid   60 and name    HN )  3.44  1.64  1.00
!+1.0
assign ( resid   59 and name   HB2 ) ( resid   60 and name    HN )  3.70  1.90  1.00
assign ( resid   59 and name   HD# ) ( resid   60 and name    HN )  4.64  2.84  0.00
assign ( resid   59 and name   HD# ) ( resid   60 and name  HD1# )  5.21  3.41  0.00
assign ( resid   59 and name   HD# ) ( resid   60 and name  HG2# )  4.81  3.01  0.00
assign ( resid   59 and name   HD# ) ( resid   61 and name   HB1 )  3.76  1.96  0.00
assign ( resid   59 and name   HD# ) ( resid   66 and name   HB1 )  5.01  3.21  0.00
assign ( resid   59 and name   HD# ) ( resid   66 and name   HB2 )  4.45  2.65  0.00
assign ( resid   59 and name   HD# ) ( resid   67 and name    HA )  4.88  3.08  0.00
assign ( resid   59 and name   HD# ) ( resid   68 and name    HN )  4.21  2.41  0.00
assign ( resid   59 and name   HE# ) ( resid   60 and name    HN )  5.22  3.42  0.00
assign ( resid   59 and name   HE# ) ( resid   60 and name  HD1# )  5.98  4.18  0.00
assign ( resid   59 and name   HE# ) ( resid   61 and name    HN )  4.51  2.71  0.00
assign ( resid   59 and name   HE# ) ( resid   61 and name   HB1 )  4.35  2.55  0.00
assign ( resid   59 and name   HE# ) ( resid   61 and name   HD# )  5.23  3.43  0.00
assign ( resid   59 and name   HE# ) ( resid   66 and name    HN )  4.60  2.80  0.00
assign ( resid   59 and name   HE# ) ( resid   66 and name   HB1 )  4.49  2.69  0.00
assign ( resid   59 and name   HE# ) ( resid   66 and name   HB2 )  4.51  2.71  0.00
assign ( resid   59 and name   HE# ) ( resid   66 and name   HD2 )  3.84  2.04  0.00
assign ( resid   59 and name   HE# ) ( resid   67 and name    HA )  4.89  3.09  0.00
assign ( resid   59 and name   HE# ) ( resid   67 and name    HN )  4.75  2.95  0.00
assign ( resid   59 and name   HE# ) ( resid   68 and name    HN )  4.47  2.67  0.00
assign ( resid   59 and name   HE# ) ( resid   68 and name   HB# )  3.40  1.60  0.00
assign ( resid   60 and name    HA ) ( resid   60 and name  HD1# )  3.84  2.04  0.00
assign ( resid   60 and name    HA ) ( resid   60 and name  HG1# )  4.09  2.29  0.00
assign ( resid   60 and name    HA ) ( resid   60 and name  HG2# )  3.56  1.76  0.00
assign ( resid   60 and name    HA ) ( resid   61 and name    HN )  2.84  1.04  0.00
!+0.5
assign ( resid   60 and name    HA ) ( resid   64 and name    HN )  4.12  2.32  0.50
assign ( resid   60 and name    HA ) ( resid   66 and name    HN )  3.84  2.04  0.00
assign ( resid   60 and name    HB ) ( resid   60 and name  HD1# )  3.60  1.80  0.00
assign ( resid   60 and name    HB ) ( resid   61 and name    HN )  4.76  2.96  0.00
assign ( resid   60 and name    HN ) ( resid   60 and name    HB )  3.41  1.61  0.00
assign ( resid   60 and name    HN ) ( resid   60 and name  HD1# )  3.49  1.69  0.00
assign ( resid   60 and name    HN ) ( resid   60 and name  HG1# )  4.18  2.38  0.00
assign ( resid   60 and name    HN ) ( resid   60 and name  HG2# )  3.49  1.69  0.00
assign ( resid   60 and name    HN ) ( resid   61 and name    HN )  4.54  2.74  0.00
assign ( resid   60 and name    HN ) ( resid   61 and name   HB1 )  5.94  4.14  0.00
assign ( resid   60 and name    HN ) ( resid   65 and name    HA )  5.26  3.46  0.00
!Removed
!assign ( resid   60 and name    HN ) ( resid   66 and name   HB1 )  5.49  3.69  0.00
assign ( resid   60 and name  HD1# ) ( resid   65 and name    HA )  3.83  2.03  0.00
assign ( resid   60 and name  HD1# ) ( resid   65 and name    HN )  4.23  2.43  0.00
assign ( resid   60 and name  HD1# ) ( resid   65 and name   HB# )  4.07  2.27  0.00
assign ( resid   60 and name  HD1# ) ( resid   66 and name    HN )  3.43  1.63  0.00
assign ( resid   60 and name  HG1# ) ( resid   64 and name    HA )  4.67  2.87  0.00
!+1.0
assign ( resid   60 and name  HG1# ) ( resid   64 and name    HN )  3.70  1.90  1.00
assign ( resid   60 and name  HG1# ) ( resid   65 and name    HN )  4.39  2.59  0.00
assign ( resid   60 and name  HG2# ) ( resid   60 and name  HG1# )  3.48  1.68  0.00
assign ( resid   60 and name  HG2# ) ( resid   61 and name    HN )  3.22  1.42  0.00
assign ( resid   60 and name  HG2# ) ( resid   62 and name    HN )  5.20  3.40  0.00
assign ( resid   60 and name  HG2# ) ( resid   63 and name    HA )  3.38  1.58  0.00
assign ( resid   60 and name  HG2# ) ( resid   63 and name    HN )  3.33  1.53  0.00
assign ( resid   60 and name  HG2# ) ( resid   64 and name    HN )  3.22  1.42  0.00
!+1.0
assign ( resid   60 and name  HG2# ) ( resid   66 and name   HD2 )  4.89  3.09  1.00
assign ( resid   61 and name    HA ) ( resid   62 and name    HN )  2.99  1.19  0.00
assign ( resid   61 and name    HA ) ( resid   63 and name    HN )  3.82  2.02  0.00
assign ( resid   61 and name    HN ) ( resid   61 and name   HB1 )  3.79  1.99  0.00
assign ( resid   61 and name    HN ) ( resid   61 and name   HB2 )  3.50  1.70  0.00
assign ( resid   61 and name    HN ) ( resid   61 and name   HD# )  5.06  3.26  0.00
assign ( resid   61 and name    HN ) ( resid   61 and name   HG# )  5.06  3.26  0.00
assign ( resid   61 and name    HN ) ( resid   62 and name    HN )  5.03  3.23  0.00
assign ( resid   61 and name    HN ) ( resid   63 and name    HA )  4.86  3.06  0.00
assign ( resid   61 and name    HN ) ( resid   63 and name    HN )  4.55  2.75  0.00
assign ( resid   61 and name    HN ) ( resid   64 and name    HN )  3.26  1.46  0.00
assign ( resid   61 and name    HN ) ( resid   65 and name    HA )  4.20  2.40  0.00
assign ( resid   61 and name    HN ) ( resid   65 and name    HN )  5.32  3.52  0.00
assign ( resid   61 and name    HN ) ( resid   66 and name   HD2 )  3.94  2.14  0.00
assign ( resid   61 and name   HB1 ) ( resid   62 and name    HN )  4.79  2.99  0.00
assign ( resid   61 and name   HB1 ) ( resid   64 and name    HN )  5.01  3.21  0.00
assign ( resid   61 and name   HB1 ) ( resid   66 and name   HD2 )  4.00  2.20  0.00
assign ( resid   61 and name   HB2 ) ( resid   61 and name   HD# )  3.48  1.68  0.00
assign ( resid   61 and name   HB2 ) ( resid   61 and name   HD1 )  3.98  2.18  0.00
assign ( resid   61 and name   HB2 ) ( resid   61 and name   HD2 )  3.98  2.18  0.00
assign ( resid   61 and name   HB2 ) ( resid   62 and name    HN )  4.46  2.66  0.00
!+1.0,2.0
assign ( resid   61 and name   HB2 ) ( resid   64 and name   HE# )  3.71  1.91  2.20
!+1.0
assign ( resid   61 and name   HB2 ) ( resid   66 and name   HD2 )  3.62  1.82  1.00
assign ( resid   61 and name   HG# ) ( resid   62 and name    HN )  4.48  2.68  0.00
assign ( resid   62 and name    HA ) ( resid   63 and name    HN )  3.21  1.41  0.00
assign ( resid   62 and name    HA ) ( resid   64 and name    HN )  5.02  3.22  0.00
assign ( resid   62 and name    HN ) ( resid   63 and name    HA )  5.01  3.21  0.00
assign ( resid   62 and name    HN ) ( resid   63 and name    HN )  3.88  2.08  0.00
assign ( resid   62 and name    HN ) ( resid   64 and name    HN )  4.95  3.15  0.00
!assign ( resid   62 and name   HB# ) ( resid   63 and name    HN )  3.86  2.06  0.00
assign ( resid   62 and name   HB# ) ( resid   64 and name    HN )  4.51  2.71  0.00
assign ( resid   62 and name   HB1 ) ( resid   63 and name    HN )  4.63  2.83  0.00
assign ( resid   62 and name   HB2 ) ( resid   63 and name    HN )  4.63  2.83  0.00
assign ( resid   63 and name    HA ) ( resid   64 and name    HN )  3.32  1.52  0.00
assign ( resid   63 and name    HN ) ( resid   63 and name    HA )  2.70  0.90  0.00
assign ( resid   63 and name    HN ) ( resid   63 and name   HB# )  3.06  1.26  0.00
!+1.0
assign ( resid   63 and name    HN ) ( resid   63 and name   HD# )  4.33  2.53  1.00
assign ( resid   63 and name    HN ) ( resid   64 and name    HA )  5.37  3.57  0.00
assign ( resid   63 and name    HN ) ( resid   64 and name    HN )  3.06  1.26  0.00
assign ( resid   63 and name   HB# ) ( resid   63 and name   HD# )  2.98  1.18  0.00
assign ( resid   63 and name   HB# ) ( resid   64 and name    HN )  4.29  2.49  0.00
!+1.0
assign ( resid   63 and name   HD# ) ( resid   64 and name    HN )  4.85  3.05  1.00
assign ( resid   64 and name    HA ) ( resid   65 and name    HN )  2.61  0.81  0.00
assign ( resid   64 and name    HA ) ( resid   65 and name   HB# )  4.51  2.71  0.00
assign ( resid   64 and name    HN ) ( resid   64 and name   HB# )  2.91  1.11  0.00
!+0.5
assign ( resid   64 and name    HN ) ( resid   64 and name   HD# )  3.83  2.03  0.50
assign ( resid   64 and name    HN ) ( resid   64 and name   HE# )  4.17  2.37  0.00
assign ( resid   64 and name    HN ) ( resid   65 and name    HN )  4.11  2.31  0.00
assign ( resid   64 and name    HN ) ( resid   66 and name   HD2 )  4.87  3.07  0.00
assign ( resid   64 and name   HB# ) ( resid   65 and name    HN )  4.60  2.80  0.00
assign ( resid   64 and name   HB# ) ( resid   66 and name   HD2 )  3.91  2.11  0.00
assign ( resid   64 and name   HG# ) ( resid   65 and name   HG# )  6.00  4.20  0.00
assign ( resid   65 and name    HA ) ( resid   66 and name    HN )  2.69  0.89  0.00
assign ( resid   65 and name    HA ) ( resid   66 and name   HD2 )  4.55  2.75  0.00
assign ( resid   65 and name    HN ) ( resid   65 and name   HB# )  2.80  1.00  0.00
assign ( resid   65 and name    HN ) ( resid   65 and name   HG# )  4.03  2.23  0.00
assign ( resid   65 and name    HN ) ( resid   66 and name    HN )  4.34  2.54  0.00
assign ( resid   65 and name   HB# ) ( resid   66 and name    HN )  3.42  1.62  0.00
assign ( resid   65 and name   HG# ) ( resid   66 and name    HN )  4.46  2.66  0.00
assign ( resid   66 and name    HA ) ( resid   67 and name    HN )  2.63  0.83  0.00
!1.0
assign ( resid   66 and name    HN ) ( resid   66 and name   HB1 )  3.35  1.55  1.00
assign ( resid   66 and name    HN ) ( resid   66 and name   HB2 )  3.73  1.93  0.00
assign ( resid   66 and name    HN ) ( resid   66 and name   HD2 )  3.72  1.92  0.00
assign ( resid   66 and name    HN ) ( resid   67 and name    HN )  4.44  2.64  0.00
assign ( resid   66 and name   HB1 ) ( resid   66 and name   HD2 )  3.81  2.01  0.00
assign ( resid   66 and name   HB1 ) ( resid   67 and name    HN )  3.44  1.64  0.00
!+1.0
assign ( resid   66 and name   HB2 ) ( resid   67 and name    HN )  3.09  1.29  1.00
assign ( resid   66 and name   HD2 ) ( resid   67 and name    HN )  5.93  4.13  0.00
assign ( resid   67 and name    HA ) ( resid   67 and name   HG# )  4.05  2.25  0.00
assign ( resid   67 and name    HA ) ( resid   68 and name    HN )  2.63  0.83  0.00
assign ( resid   67 and name    HA ) ( resid   68 and name   HB# )  4.07  2.27  0.00
assign ( resid   67 and name    HN ) ( resid   67 and name   HB# )  2.97  1.17  0.00
assign ( resid   67 and name    HN ) ( resid   67 and name   HG# )  3.48  1.68  0.00
assign ( resid   67 and name    HN ) ( resid   68 and name    HN )  4.22  2.42  0.00
!1.0
assign ( resid   67 and name    HN ) ( resid   68 and name   HB# )  4.76  2.96  1.00
assign ( resid   67 and name   HB# ) ( resid   68 and name    HN )  3.22  1.42  0.00
assign ( resid   67 and name   HG# ) ( resid   68 and name    HN )  3.89  2.09  0.00
assign ( resid   68 and name    HA ) ( resid   69 and name    HN )  2.70  0.90  0.00
assign ( resid   68 and name    HN ) ( resid   68 and name   HB# )  2.97  1.17  0.00
assign ( resid   68 and name    HN ) ( resid   69 and name    HN )  4.19  2.39  0.00
assign ( resid   68 and name   HB# ) ( resid   69 and name    HN )  3.46  1.66  0.00
assign ( resid   69 and name    HA ) ( resid   69 and name   HG# )  4.05  2.25  0.00
assign ( resid   69 and name    HA ) ( resid   70 and name    HN )  2.65  0.85  0.00
assign ( resid   69 and name    HA ) ( resid   70 and name   HB# )  4.36  2.56  0.00
assign ( resid   69 and name    HN ) ( resid   69 and name   HB# )  2.97  1.17  0.00
assign ( resid   69 and name    HN ) ( resid   69 and name   HG# )  4.13  2.33  0.00
assign ( resid   69 and name    HN ) ( resid   70 and name    HN )  4.27  2.47  0.00
assign ( resid   69 and name   HB# ) ( resid   70 and name    HN )  3.93  2.13  0.00
assign ( resid   69 and name   HG# ) ( resid   70 and name    HN )  4.36  2.56  0.00
assign ( resid   70 and name    HA ) ( resid   71 and name    HN )  2.94  1.14  0.00
assign ( resid   70 and name    HA ) ( resid   71 and name   HG# )  3.97  2.17  0.00
assign ( resid   70 and name    HN ) ( resid   70 and name   HB# )  3.07  1.27  0.00
assign ( resid   70 and name    HN ) ( resid   70 and name   HB1 )  3.80  2.00  0.00
assign ( resid   70 and name    HN ) ( resid   70 and name   HB2 )  3.80  2.00  0.00
assign ( resid   70 and name    HN ) ( resid   71 and name    HA )  4.99  3.19  0.00
assign ( resid   70 and name    HN ) ( resid   71 and name    HN )  4.47  2.67  0.00
assign ( resid   70 and name   HB# ) ( resid   71 and name    HN )  3.40  1.60  0.00
!+1.5, 2.0,2.4
assign ( resid   70 and name   HB# ) ( resid   86 and name   HG# )  3.49  1.69  2.40
assign ( resid   70 and name   HB1 ) ( resid   71 and name    HN )  3.92  2.12  0.00
assign ( resid   70 and name   HB2 ) ( resid   71 and name    HN )  3.92  2.12  0.00
assign ( resid   71 and name    HA ) ( resid   72 and name    HN )  3.00  1.20  0.00
assign ( resid   71 and name    HN ) ( resid   71 and name    HB )  3.67  1.87  0.00
assign ( resid   71 and name    HN ) ( resid   71 and name   HG# )  3.21  1.41  0.00
assign ( resid   71 and name    HN ) ( resid   72 and name    HN )  4.62  2.82  0.00
assign ( resid   71 and name   HG# ) ( resid   72 and name    HN )  4.35  2.55  0.00
assign ( resid   72 and name    HA ) ( resid   72 and name    HG )  3.95  2.15  0.00
assign ( resid   72 and name    HA ) ( resid   72 and name   HD# )  3.30  1.50  0.00
assign ( resid   72 and name    HA ) ( resid   73 and name    HN )  2.93  1.13  0.00
assign ( resid   72 and name    HA ) ( resid   82 and name  HG2# )  4.07  2.27  0.00
assign ( resid   72 and name    HG ) ( resid   73 and name    HN )  5.67  3.87  0.00
assign ( resid   72 and name    HN ) ( resid   72 and name   HB1 )  3.43  1.63  0.00
assign ( resid   72 and name    HN ) ( resid   72 and name   HB2 )  3.84  2.04  0.00
assign ( resid   72 and name    HN ) ( resid   72 and name   HD# )  3.91  2.11  0.00
assign ( resid   72 and name    HN ) ( resid   73 and name    HN )  4.72  2.92  0.00
assign ( resid   72 and name   HB1 ) ( resid   73 and name    HN )  4.64  2.84  0.00
assign ( resid   72 and name   HB1 ) ( resid   82 and name  HG2# )  3.98  2.18  0.00
!+1.5
assign ( resid   72 and name   HB2 ) ( resid   73 and name    HN )  3.75  1.95  1.50
assign ( resid   72 and name   HB2 ) ( resid   82 and name  HG2# )  3.72  1.92  0.00
assign ( resid   72 and name   HD# ) ( resid   82 and name    HB )  3.26  1.46  0.00
assign ( resid   73 and name    HA ) ( resid   74 and name   HD# )  3.40  1.60  0.00
assign ( resid   73 and name    HN ) ( resid   73 and name   HB# )  3.32  1.52  0.00
assign ( resid   73 and name    HN ) ( resid   73 and name   HB1 )  3.81  2.01  0.00
assign ( resid   73 and name    HN ) ( resid   73 and name   HB2 )  3.81  2.01  0.00
assign ( resid   73 and name    HN ) ( resid   74 and name   HD# )  4.35  2.55  0.00
assign ( resid   73 and name    HN ) ( resid   82 and name    HA )  4.85  3.05  0.00
assign ( resid   73 and name    HN ) ( resid   82 and name  HG2# )  3.52  1.72  0.00
assign ( resid   73 and name    HN ) ( resid   83 and name    HN )  3.64  1.84  0.00
assign ( resid   73 and name   HB# ) ( resid   74 and name   HD# )  3.90  2.10  0.00
assign ( resid   73 and name   HB1 ) ( resid   74 and name   HD# )  4.52  2.72  0.00
assign ( resid   73 and name   HB2 ) ( resid   74 and name   HD# )  4.52  2.72  0.00
assign ( resid   74 and name    HA ) ( resid   75 and name    HN )  3.01  1.21  0.00
assign ( resid   74 and name    HA ) ( resid   81 and name    HN )  4.96  3.16  0.00
assign ( resid   74 and name    HA ) ( resid   82 and name  HG2# )  3.85  2.05  0.00
assign ( resid   74 and name    HA ) ( resid   83 and name    HN )  4.01  2.21  0.00
assign ( resid   74 and name   HB2 ) ( resid   75 and name    HN )  3.67  1.87  0.00
assign ( resid   74 and name   HB2 ) ( resid   79 and name    HA )  4.21  2.41  0.00
!+1.0
assign ( resid   74 and name   HB2 ) ( resid   82 and name  HD1# )  3.75  1.95  1.00
!+1.0
assign ( resid   74 and name   HB2 ) ( resid   82 and name  HG2# )  3.78  1.98  1.00
assign ( resid   74 and name   HD# ) ( resid   75 and name    HN )  5.13  3.33  0.00
assign ( resid   74 and name   HD# ) ( resid   82 and name  HD1# )  5.36  3.56  0.00
assign ( resid   74 and name   HD# ) ( resid   83 and name    HN )  5.10  3.30  0.00
!+1.50
assign ( resid   74 and name   HD1 ) ( resid   75 and name    HN )  3.90  2.10  1.50
!+1.0,then removed
!assign ( resid   74 and name   HD1 ) ( resid   81 and name    HN )  4.69  2.89  1.00
assign ( resid   74 and name   HD1 ) ( resid   82 and name  HD1# )  4.94  3.14  0.00
assign ( resid   74 and name   HD1 ) ( resid   82 and name  HG2# )  4.57  2.77  0.00
assign ( resid   74 and name   HG# ) ( resid   82 and name  HD1# )  4.82  3.02  0.00
assign ( resid   75 and name    HN ) ( resid   75 and name   HB# )  3.05  1.25  0.00
assign ( resid   75 and name    HN ) ( resid   75 and name   HB1 )  3.62  1.82  0.00
assign ( resid   75 and name    HN ) ( resid   75 and name   HB2 )  3.62  1.82  0.00
assign ( resid   75 and name    HN ) ( resid   75 and name   HD# )  3.81  2.01  0.00
assign ( resid   75 and name    HN ) ( resid   79 and name    HA )  4.28  2.48  0.00
assign ( resid   75 and name    HN ) ( resid   80 and name    HN )  5.51  3.71  0.00
assign ( resid   75 and name    HN ) ( resid   81 and name    HN )  4.35  2.55  0.00
assign ( resid   75 and name    HN ) ( resid   81 and name   HB# )  4.28  2.48  0.00
!+1.0
assign ( resid   75 and name    HN ) ( resid   82 and name  HG2# )  4.80  3.00  1.00
assign ( resid   75 and name   HD# ) ( resid   81 and name   HB# )  3.75  1.95  0.00
assign ( resid   77 and name    HN ) ( resid   78 and name    HN )  5.01  3.21  0.00
assign ( resid   78 and name    HA ) ( resid   79 and name   HD# )  3.28  1.48  0.00
assign ( resid   78 and name    HA ) ( resid   79 and name   HD1 )  3.77  1.97  0.00
assign ( resid   78 and name    HA ) ( resid   79 and name   HD2 )  3.77  1.97  0.00
assign ( resid   78 and name    HA ) ( resid   79 and name   HG# )  4.46  2.66  0.00
assign ( resid   78 and name    HA ) ( resid   80 and name    HN )  4.18  2.38  0.00
assign ( resid   78 and name    HA ) ( resid   80 and name   HB# )  4.40  2.60  0.00
assign ( resid   78 and name    HN ) ( resid   78 and name   HB# )  4.05  2.25  0.00
assign ( resid   78 and name    HN ) ( resid   79 and name   HD# )  3.96  2.16  0.00
assign ( resid   78 and name    HN ) ( resid   79 and name   HD1 )  4.64  2.84  0.00
assign ( resid   78 and name    HN ) ( resid   79 and name   HD2 )  4.64  2.84  0.00
assign ( resid   78 and name    HN ) ( resid   81 and name    HN )  6.00  4.20  0.00
assign ( resid   78 and name   HB# ) ( resid   80 and name    HN )  4.41  2.61  0.00
assign ( resid   78 and name   HB# ) ( resid   81 and name    HN )  4.26  2.46  0.00
assign ( resid   79 and name    HA ) ( resid   81 and name    HN )  4.36  2.56  0.00
assign ( resid   79 and name   HB# ) ( resid   80 and name    HN )  3.99  2.19  0.00
assign ( resid   79 and name   HD# ) ( resid   80 and name    HN )  3.61  1.81  0.00
assign ( resid   79 and name   HD1 ) ( resid   80 and name    HN )  4.35  2.55  0.00
assign ( resid   79 and name   HD2 ) ( resid   80 and name    HN )  4.35  2.55  0.00
!+0.5
assign ( resid   79 and name   HG# ) ( resid   80 and name    HN )  3.32  1.52  0.50
assign ( resid   80 and name    HN ) ( resid   80 and name   HB# )  3.07  1.27  0.00
assign ( resid   80 and name    HN ) ( resid   81 and name    HA )  5.24  3.44  0.00
assign ( resid   80 and name    HN ) ( resid   81 and name   HB# )  4.50  2.70  0.00
assign ( resid   80 and name   HB# ) ( resid   81 and name    HN )  3.88  2.08  0.00
assign ( resid   81 and name    HN ) ( resid   81 and name   HB# )  3.25  1.45  0.00
assign ( resid   81 and name    HN ) ( resid   82 and name  HD1# )  4.95  3.15  0.00
assign ( resid   81 and name    HN ) ( resid   82 and name  HG1# )  5.55  3.75  0.00
!+1.0
assign ( resid   81 and name    HN ) ( resid   82 and name  HG2# )  4.52  2.72  1.00
assign ( resid   81 and name   HG# ) ( resid   82 and name  HG2# )  6.00  4.20  0.00
assign ( resid   82 and name    HA ) ( resid   82 and name  HD1# )  3.65  1.85  0.00
assign ( resid   82 and name    HA ) ( resid   82 and name  HG2# )  3.88  2.08  0.00
assign ( resid   82 and name    HA ) ( resid   83 and name    HN )  3.05  1.25  0.00
assign ( resid   82 and name    HB ) ( resid   82 and name  HD1# )  3.45  1.65  0.00
assign ( resid   82 and name    HB ) ( resid   83 and name    HN )  3.56  1.76  0.00
assign ( resid   82 and name  HG2# ) ( resid   82 and name  HG1# )  3.49  1.69  0.00
assign ( resid   82 and name  HG2# ) ( resid   83 and name    HN )  3.21  1.41  0.00
assign ( resid   84 and name   HB# ) ( resid   85 and name    HN )  4.66  2.86  0.00
assign ( resid   86 and name    HA ) ( resid   87 and name    HN )  3.12  1.32  0.00
!+1.0
assign ( resid   86 and name    HB ) ( resid   87 and name    HN )  3.40  1.60  1.00
assign ( resid   86 and name   HG# ) ( resid   87 and name    HN )  3.57  1.77  0.00
assign ( resid   87 and name    HN ) ( resid   87 and name    HB )  3.89  2.09  0.00
assign ( resid   87 and name    HN ) ( resid   87 and name  HG2# )  3.95  2.15  0.00
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -93.9   44.2 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  134.7   39.2 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -102.9   40.1 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  133.3   23.2 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -87.8   38.8 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  126.2   38.1 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -85.9   22.8 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -21.3   54.8 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0 -155.8   48.7 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  159.6   15.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -113.3   23.7 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  127.5   26.9 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -84.1   28.6 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  136.6   44.4 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -97.9   44.5 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -15.6   55.2 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -73.0   31.1 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  136.7   22.4 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0 -131.9   47.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  151.7   23.4 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0 -128.3   26.8 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  156.9   26.7 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0   96.9   13.5 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  -15.9   18.0 2
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0 -116.1   35.1 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  143.9   27.7 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -77.0   28.5 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  126.1   19.5 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0 -102.4   19.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  -34.6   18.5 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0 -136.1   61.9 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  150.9   57.1 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0 -123.1   23.1 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  138.8   24.6 2
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0   86.6   31.1 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0   -7.3   39.2 2
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0  -94.1   28.8 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  132.2   25.9 2
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0 -118.7   39.9 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0  142.7   54.8 2
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0 -120.9   54.5 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0  161.2   22.7 2
assign (resid   38 and name C    ) (resid   39 and name N    )
       (resid   39 and name CA   ) (resid   39 and name C    )    1.0  -64.4   16.4 2
assign (resid   39 and name N    ) (resid   39 and name CA   )
       (resid   39 and name C    ) (resid   40 and name N    )    1.0  -34.4   18.3 2
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0  -66.3   10.4 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  -40.4   10.0 2
assign (resid   40 and name C    ) (resid   41 and name N    )
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assign (resid   41 and name N    ) (resid   41 and name CA   )
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assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0  -66.6   12.7 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  -43.3   12.3 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -61.1   11.1 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
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assign (resid   43 and name C    ) (resid   44 and name N    )
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assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  -40.7   10.0 2
assign (resid   44 and name C    ) (resid   45 and name N    )
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assign (resid   45 and name N    ) (resid   45 and name CA   )
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assign (resid   45 and name C    ) (resid   46 and name N    )
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assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  -45.3   15.2 2
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0  -69.5   31.9 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0  -40.9   21.2 2
assign (resid   49 and name C    ) (resid   50 and name N    )
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assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )    1.0  156.3   30.7 2
assign (resid   51 and name C    ) (resid   52 and name N    )
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assign (resid   52 and name N    ) (resid   52 and name CA   )
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assign (resid   52 and name C    ) (resid   53 and name N    )
       (resid   53 and name CA   ) (resid   53 and name C    )    1.0  -74.8   23.4 2
assign (resid   53 and name N    ) (resid   53 and name CA   )
       (resid   53 and name C    ) (resid   54 and name N    )    1.0  136.9   49.0 2
assign (resid   53 and name C    ) (resid   54 and name N    )
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assign (resid   54 and name N    ) (resid   54 and name CA   )
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assign (resid   54 and name C    ) (resid   55 and name N    )
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assign (resid   55 and name N    ) (resid   55 and name CA   )
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assign (resid   55 and name C    ) (resid   56 and name N    )
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assign (resid   56 and name N    ) (resid   56 and name CA   )
       (resid   56 and name C    ) (resid   57 and name N    )    1.0  117.8   20.3 2
assign (resid   56 and name C    ) (resid   57 and name N    )
       (resid   57 and name CA   ) (resid   57 and name C    )    1.0 -115.8   38.0 2
assign (resid   57 and name N    ) (resid   57 and name CA   )
       (resid   57 and name C    ) (resid   58 and name N    )    1.0  125.2   21.7 2
assign (resid   57 and name C    ) (resid   58 and name N    )
       (resid   58 and name CA   ) (resid   58 and name C    )    1.0 -106.7   10.0 2
assign (resid   58 and name N    ) (resid   58 and name CA   )
       (resid   58 and name C    ) (resid   59 and name N    )    1.0  127.9   18.6 2
assign (resid   58 and name C    ) (resid   59 and name N    )
       (resid   59 and name CA   ) (resid   59 and name C    )    1.0 -136.7   28.5 2
assign (resid   59 and name N    ) (resid   59 and name CA   )
       (resid   59 and name C    ) (resid   60 and name N    )    1.0  156.2   31.8 2
assign (resid   59 and name C    ) (resid   60 and name N    )
       (resid   60 and name CA   ) (resid   60 and name C    )    1.0 -118.0   27.8 2
assign (resid   60 and name N    ) (resid   60 and name CA   )
       (resid   60 and name C    ) (resid   61 and name N    )    1.0  124.8   12.2 2
assign (resid   60 and name C    ) (resid   61 and name N    )
       (resid   61 and name CA   ) (resid   61 and name C    )    1.0 -127.3   47.3 2
assign (resid   61 and name N    ) (resid   61 and name CA   )
       (resid   61 and name C    ) (resid   62 and name N    )    1.0  130.0   17.0 2
assign (resid   61 and name C    ) (resid   62 and name N    )
       (resid   62 and name CA   ) (resid   62 and name C    )    1.0   53.7   10.0 2
assign (resid   62 and name N    ) (resid   62 and name CA   )
       (resid   62 and name C    ) (resid   63 and name N    )    1.0   43.9   10.0 2
assign (resid   62 and name C    ) (resid   63 and name N    )
       (resid   63 and name CA   ) (resid   63 and name C    )    1.0   69.0   21.8 2
assign (resid   63 and name N    ) (resid   63 and name CA   )
       (resid   63 and name C    ) (resid   64 and name N    )    1.0   13.4   29.1 2
assign (resid   64 and name C    ) (resid   65 and name N    )
       (resid   65 and name CA   ) (resid   65 and name C    )    1.0  -94.7   32.5 2
assign (resid   65 and name N    ) (resid   65 and name CA   )
       (resid   65 and name C    ) (resid   66 and name N    )    1.0  131.0   24.4 2
assign (resid   65 and name C    ) (resid   66 and name N    )
       (resid   66 and name CA   ) (resid   66 and name C    )    1.0 -130.8   33.4 2
assign (resid   66 and name N    ) (resid   66 and name CA   )
       (resid   66 and name C    ) (resid   67 and name N    )    1.0  159.5   18.3 2
assign (resid   66 and name C    ) (resid   67 and name N    )
       (resid   67 and name CA   ) (resid   67 and name C    )    1.0 -134.4   42.7 2
assign (resid   67 and name N    ) (resid   67 and name CA   )
       (resid   67 and name C    ) (resid   68 and name N    )    1.0  148.9   25.4 2
assign (resid   67 and name C    ) (resid   68 and name N    )
       (resid   68 and name CA   ) (resid   68 and name C    )    1.0 -143.2   32.3 2
assign (resid   68 and name N    ) (resid   68 and name CA   )
       (resid   68 and name C    ) (resid   69 and name N    )    1.0  132.9   26.7 2
assign (resid   68 and name C    ) (resid   69 and name N    )
       (resid   69 and name CA   ) (resid   69 and name C    )    1.0  -96.2   21.9 2
assign (resid   69 and name N    ) (resid   69 and name CA   )
       (resid   69 and name C    ) (resid   70 and name N    )    1.0  127.0   24.7 2
assign (resid   69 and name C    ) (resid   70 and name N    )
       (resid   70 and name CA   ) (resid   70 and name C    )    1.0 -117.9   32.6 2
assign (resid   70 and name N    ) (resid   70 and name CA   )
       (resid   70 and name C    ) (resid   71 and name N    )    1.0  135.0   26.4 2
assign (resid   70 and name C    ) (resid   71 and name N    )
       (resid   71 and name CA   ) (resid   71 and name C    )    1.0 -101.3   40.5 2
assign (resid   71 and name N    ) (resid   71 and name CA   )
       (resid   71 and name C    ) (resid   72 and name N    )    1.0  137.6   20.1 2
assign (resid   72 and name C    ) (resid   73 and name N    )
       (resid   73 and name CA   ) (resid   73 and name C    )    1.0 -126.7   43.7 2
assign (resid   73 and name N    ) (resid   73 and name CA   )
       (resid   73 and name C    ) (resid   74 and name N    )    1.0  138.3   55.1 2
assign (resid   74 and name C    ) (resid   75 and name N    )
       (resid   75 and name CA   ) (resid   75 and name C    )    1.0  -83.8   41.3 2
assign (resid   75 and name N    ) (resid   75 and name CA   )
       (resid   75 and name C    ) (resid   76 and name N    )    1.0  129.7   49.2 2
assign (resid   76 and name C    ) (resid   77 and name N    )
       (resid   77 and name CA   ) (resid   77 and name C    )    1.0  -80.6   20.9 2
assign (resid   77 and name N    ) (resid   77 and name CA   )
       (resid   77 and name C    ) (resid   78 and name N    )    1.0   -9.2   29.4 2
assign (resid   80 and name C    ) (resid   81 and name N    )
       (resid   81 and name CA   ) (resid   81 and name C    )    1.0 -109.6   54.8 2
assign (resid   81 and name N    ) (resid   81 and name CA   )
       (resid   81 and name C    ) (resid   82 and name N    )    1.0  135.1   56.2 2
assign (resid   81 and name C    ) (resid   82 and name N    )
       (resid   82 and name CA   ) (resid   82 and name C    )    1.0 -108.8   32.2 2
assign (resid   82 and name N    ) (resid   82 and name CA   )
       (resid   82 and name C    ) (resid   83 and name N    )    1.0  163.9   32.8 2
assign (resid   83 and name C    ) (resid   84 and name N    )
       (resid   84 and name CA   ) (resid   84 and name C    )    1.0  -64.2   31.6 2
assign (resid   84 and name N    ) (resid   84 and name CA   )
       (resid   84 and name C    ) (resid   85 and name N    )    1.0  -40.3   38.9 2
assign (resid   85 and name C    ) (resid   86 and name N    )
       (resid   86 and name CA   ) (resid   86 and name C    )    1.0 -136.8   27.8 2
assign (resid   86 and name N    ) (resid   86 and name CA   )
       (resid   86 and name C    ) (resid   87 and name N    )    1.0  152.7   18.0 2
assign (resid   86 and name C    ) (resid   87 and name N    )
       (resid   87 and name CA   ) (resid   87 and name C    )    1.0 -107.7   30.8 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1H       MET   1 -14.291 -15.861  -1.421
    2    H2   MET   1           2H       MET   1 -15.118 -14.559  -0.708
    3    H3   MET   1           3H       MET   1 -15.163 -14.780  -2.393
    4    HA   MET   1           HA       MET   1 -17.234 -15.484  -1.314
    5    HB2  MET   1           1HB      MET   1 -17.192 -17.837  -2.318
    6    HB3  MET   1           2HB      MET   1 -16.716 -16.536  -3.407
    7    HG2  MET   1           1HG      MET   1 -14.363 -17.008  -3.037
    8    HG3  MET   1           2HG      MET   1 -14.756 -18.212  -1.812
    9    HE1  MET   1           3HE      MET   1 -14.808 -20.742  -2.416
   10    HE2  MET   1           1HE      MET   1 -16.052 -21.222  -3.582
   11    HE3  MET   1           2HE      MET   1 -16.444 -20.108  -2.276
   12    H    ASN   2           H        ASN   2 -15.252 -15.400   0.848
   13    HA   ASN   2           HA       ASN   2 -16.424 -17.415   2.556
   14    HB2  ASN   2           1HB      ASN   2 -14.317 -18.497   3.184
   15    HB3  ASN   2           2HB      ASN   2 -14.657 -18.736   1.471
   16   HD21  ASN   2          2HD2      ASN   2 -12.088 -19.100   1.793
   17   HD22  ASN   2          1HD2      ASN   2 -11.146 -17.728   1.464
   18    H    GLU   3           H        GLU   3 -16.342 -14.558   2.509
   19    HA   GLU   3           HA       GLU   3 -15.965 -12.756   3.886
   20    HB2  GLU   3           1HB      GLU   3 -15.735 -15.025   5.878
   21    HB3  GLU   3           2HB      GLU   3 -15.818 -13.322   6.334
   22    HG2  GLU   3           1HG      GLU   3 -17.992 -13.103   5.215
   23    HG3  GLU   3           2HG      GLU   3 -17.909 -14.783   4.690
   24    H    ALA   4           H        ALA   4 -13.968 -12.354   2.693
   25    HA   ALA   4           HA       ALA   4 -11.435 -13.287   3.483
   26    HB1  ALA   4           3HB      ALA   4 -11.865 -12.174   1.334
   27    HB2  ALA   4           1HB      ALA   4 -10.548 -11.391   2.209
   28    HB3  ALA   4           2HB      ALA   4 -12.150 -10.652   2.180
   29    H    LYS   5           H        LYS   5 -12.756 -10.016   4.083
   30    HA   LYS   5           HA       LYS   5 -12.405  -8.505   5.767
   31    HB2  LYS   5           1HB      LYS   5 -11.966 -11.050   7.352
   32    HB3  LYS   5           2HB      LYS   5 -11.976  -9.450   8.080
   33    HG2  LYS   5           1HG      LYS   5 -14.256  -9.066   7.277
   34    HG3  LYS   5           2HG      LYS   5 -14.257 -10.638   6.475
   35    HD2  LYS   5           1HD      LYS   5 -14.047 -11.788   8.603
   36    HD3  LYS   5           2HD      LYS   5 -13.844 -10.259   9.458
   37    HE2  LYS   5           1HE      LYS   5 -16.146 -11.052   9.721
   38    HE3  LYS   5           2HE      LYS   5 -16.132  -9.585   8.743
   39    HZ1  LYS   5           3HZ      LYS   5 -15.856 -11.481   6.876
   40    HZ2  LYS   5           1HZ      LYS   5 -17.345 -10.818   7.342
   41    HZ3  LYS   5           2HZ      LYS   5 -16.828 -12.294   8.009
   42    H    GLY   6           H        GLY   6 -10.629  -7.607   4.717
   43    HA2  GLY   6           1HA      GLY   6  -7.939  -8.346   5.780
   44    HA3  GLY   6           2HA      GLY   6  -8.224  -7.651   4.190
   45    H    VAL   7           H        VAL   7  -8.132  -5.513   3.955
   46    HA   VAL   7           HA       VAL   7  -8.292  -3.741   6.327
   47    HB   VAL   7           HB       VAL   7  -6.162  -3.618   4.176
   48   HG11  VAL   7          1HG1      VAL   7  -6.703  -1.398   4.976
   49   HG12  VAL   7          2HG1      VAL   7  -5.199  -1.890   5.751
   50   HG13  VAL   7          3HG1      VAL   7  -6.715  -1.951   6.650
   51   HG21  VAL   7          3HG2      VAL   7  -5.795  -5.497   5.702
   52   HG22  VAL   7          1HG2      VAL   7  -6.052  -4.443   7.093
   53   HG23  VAL   7          2HG2      VAL   7  -4.641  -4.210   6.062
   54    H    TYR   8           H        TYR   8  -9.193  -1.754   5.945
   55    HA   TYR   8           HA       TYR   8 -10.488  -1.383   3.304
   56    HB2  TYR   8           1HB      TYR   8 -11.064  -0.201   6.036
   57    HB3  TYR   8           2HB      TYR   8 -11.944   0.213   4.563
   58    HD1  TYR   8           HD2      TYR   8 -11.238  -2.461   7.021
   59    HD2  TYR   8           HD1      TYR   8 -13.487  -1.366   3.527
   60    HE1  TYR   8           HE2      TYR   8 -12.669  -4.462   7.313
   61    HE2  TYR   8           HE1      TYR   8 -14.918  -3.366   3.824
   62    HH   TYR   8           HH       TYR   8 -15.560  -4.940   5.436
   63    H    VAL   9           H        VAL   9  -9.648   0.096   1.951
   64    HA   VAL   9           HA       VAL   9  -7.446   1.635   2.327
   65    HB   VAL   9           HB       VAL   9  -8.447   1.300   0.158
   66   HG11  VAL   9          1HG1      VAL   9 -10.828   1.430   0.982
   67   HG12  VAL   9          2HG1      VAL   9 -10.517   2.288  -0.519
   68   HG13  VAL   9          3HG1      VAL   9 -10.658   3.183   0.997
   69   HG21  VAL   9          3HG2      VAL   9  -8.110   3.472  -0.781
   70   HG22  VAL   9          1HG2      VAL   9  -7.077   3.416   0.645
   71   HG23  VAL   9          2HG2      VAL   9  -8.615   4.277   0.698
   72    H    MET  10           H        MET  10  -7.251   4.035   2.406
   73    HA   MET  10           HA       MET  10  -8.914   5.118   4.617
   74    HB2  MET  10           1HB      MET  10  -6.138   5.880   3.682
   75    HB3  MET  10           2HB      MET  10  -7.001   6.622   5.030
   76    HG2  MET  10           1HG      MET  10  -6.360   3.660   4.858
   77    HG3  MET  10           2HG      MET  10  -5.378   4.832   5.737
   78    HE1  MET  10           3HE      MET  10  -7.155   2.783   8.517
   79    HE2  MET  10           1HE      MET  10  -5.639   3.597   8.103
   80    HE3  MET  10           2HE      MET  10  -6.305   2.368   7.031
   81    H    SER  11           H        SER  11  -6.996   6.636   2.018
   82    HA   SER  11           HA       SER  11  -9.348   8.003   0.960
   83    HB2  SER  11           1HB      SER  11  -8.763   9.406   2.894
   84    HB3  SER  11           2HB      SER  11  -7.113   9.553   2.295
   85    HG   SER  11           HG       SER  11  -8.636  11.291   1.736
   86    H    VAL  12           H        VAL  12  -8.568   9.693  -0.745
   87    HA   VAL  12           HA       VAL  12  -6.290   8.579  -2.285
   88    HB   VAL  12           HB       VAL  12  -8.685  10.005  -3.482
   89   HG11  VAL  12          1HG1      VAL  12  -7.978   8.889  -5.519
   90   HG12  VAL  12          2HG1      VAL  12  -6.764   7.962  -4.637
   91   HG13  VAL  12          3HG1      VAL  12  -6.584   9.707  -4.815
   92   HG21  VAL  12          3HG2      VAL  12  -9.631   7.781  -3.992
   93   HG22  VAL  12          1HG2      VAL  12  -9.578   8.074  -2.257
   94   HG23  VAL  12          2HG2      VAL  12  -8.374   7.027  -3.008
   95    H    LEU  13           H        LEU  13  -4.691  10.040  -1.899
   96    HA   LEU  13           HA       LEU  13  -5.291  12.890  -1.694
   97    HB2  LEU  13           1HB      LEU  13  -2.619  11.512  -1.435
   98    HB3  LEU  13           2HB      LEU  13  -3.078  13.093  -0.829
   99    HG   LEU  13           HG       LEU  13  -4.095  10.402   0.132
  100   HD11  LEU  13          1HD1      LEU  13  -3.088  11.183   2.280
  101   HD12  LEU  13          2HD1      LEU  13  -2.479  12.609   1.440
  102   HD13  LEU  13          3HD1      LEU  13  -1.895  11.006   0.992
  103   HD21  LEU  13          3HD2      LEU  13  -5.281  11.894   1.896
  104   HD22  LEU  13          1HD2      LEU  13  -6.007  11.827   0.292
  105   HD23  LEU  13          2HD2      LEU  13  -5.033  13.221   0.761
  106    HA   PRO  14           HA       PRO  14  -4.009  13.575  -5.925
  107    HB2  PRO  14           1HB      PRO  14  -3.521  16.252  -5.916
  108    HB3  PRO  14           2HB      PRO  14  -5.164  15.602  -5.726
  109    HG2  PRO  14           1HG      PRO  14  -3.248  16.516  -3.594
  110    HG3  PRO  14           2HG      PRO  14  -4.967  16.928  -3.796
  111    HD2  PRO  14           1HD      PRO  14  -4.166  14.977  -2.059
  112    HD3  PRO  14           2HD      PRO  14  -5.701  14.856  -2.960
  113    H    ASN  15           H        ASN  15  -2.160  14.022  -7.227
  114    HA   ASN  15           HA       ASN  15   0.064  13.941  -7.755
  115    HB2  ASN  15           1HB      ASN  15  -0.056  16.226  -6.688
  116    HB3  ASN  15           2HB      ASN  15   0.491  15.486  -5.184
  117   HD21  ASN  15          2HD2      ASN  15   2.621  16.291  -5.049
  118   HD22  ASN  15          1HD2      ASN  15   3.801  16.042  -6.243
  119    H    MET  16           H        MET  16  -1.034  11.758  -6.113
  120    HA   MET  16           HA       MET  16   1.468  10.843  -4.776
  121    HB2  MET  16           1HB      MET  16  -1.437  10.509  -4.008
  122    HB3  MET  16           2HB      MET  16  -0.221   9.400  -3.398
  123    HG2  MET  16           1HG      MET  16   0.988  11.831  -2.810
  124    HG3  MET  16           2HG      MET  16  -0.709  12.259  -2.660
  125    HE1  MET  16           3HE      MET  16   0.742  11.764   0.943
  126    HE2  MET  16           1HE      MET  16  -0.245  12.834  -0.065
  127    HE3  MET  16           2HE      MET  16   1.419  12.472  -0.519
  128    HA   PRO  17           HA       PRO  17   1.577   7.495  -7.606
  129    HB2  PRO  17           1HB      PRO  17   2.586   5.433  -6.055
  130    HB3  PRO  17           2HB      PRO  17   3.570   6.777  -6.662
  131    HG2  PRO  17           1HG      PRO  17   2.316   6.428  -3.957
  132    HG3  PRO  17           2HG      PRO  17   3.944   7.012  -4.370
  133    HD2  PRO  17           1HD      PRO  17   1.971   8.740  -3.723
  134    HD3  PRO  17           2HD      PRO  17   3.164   9.147  -4.957
  135    H    ALA  18           H        ALA  18  -0.405   7.254  -4.790
  136    HA   ALA  18           HA       ALA  18  -1.649   4.723  -5.541
  137    HB1  ALA  18           3HB      ALA  18  -2.965   5.025  -3.545
  138    HB2  ALA  18           1HB      ALA  18  -2.493   6.722  -3.433
  139    HB3  ALA  18           2HB      ALA  18  -1.294   5.459  -3.161
  140    H    ALA  19           H        ALA  19  -2.149   8.086  -6.026
  141    HA   ALA  19           HA       ALA  19  -4.947   8.079  -6.590
  142    HB1  ALA  19           3HB      ALA  19  -3.763  10.167  -6.119
  143    HB2  ALA  19           1HB      ALA  19  -4.565  10.251  -7.688
  144    HB3  ALA  19           2HB      ALA  19  -2.824   9.982  -7.599
  145    H    GLY  20           H        GLY  20  -6.061   7.476  -8.320
  146    HA2  GLY  20           1HA      GLY  20  -6.529   7.132 -10.596
  147    HA3  GLY  20           2HA      GLY  20  -4.813   7.248 -10.966
  148    H    ARG  21           H        ARG  21  -4.365   5.339  -8.611
  149    HA   ARG  21           HA       ARG  21  -4.859   2.828 -10.125
  150    HB2  ARG  21           1HB      ARG  21  -2.775   3.591  -8.056
  151    HB3  ARG  21           2HB      ARG  21  -2.991   1.949  -8.669
  152    HG2  ARG  21           1HG      ARG  21  -2.511   2.680 -10.940
  153    HG3  ARG  21           2HG      ARG  21  -2.444   4.364 -10.423
  154    HD2  ARG  21           1HD      ARG  21  -0.528   3.836  -8.966
  155    HD3  ARG  21           2HD      ARG  21  -0.585   2.156  -9.500
  156    HE   ARG  21           HE       ARG  21  -0.355   3.470 -11.847
  157   HH11  ARG  21          1HH2      ARG  21   1.306   3.769  -8.829
  158   HH12  ARG  21          2HH2      ARG  21   2.810   4.228  -9.547
  159   HH21  ARG  21          1HH1      ARG  21   1.618   4.072 -12.789
  160   HH22  ARG  21          2HH1      ARG  21   2.988   4.395 -11.783
  161    H    LEU  22           H        LEU  22  -4.918   4.254  -6.879
  162    HA   LEU  22           HA       LEU  22  -6.731   2.097  -5.969
  163    HB2  LEU  22           1HB      LEU  22  -4.264   2.701  -4.945
  164    HB3  LEU  22           2HB      LEU  22  -5.244   3.786  -3.977
  165    HG   LEU  22           HG       LEU  22  -5.025   1.692  -2.809
  166   HD11  LEU  22          1HD1      LEU  22  -7.280   1.305  -2.287
  167   HD12  LEU  22          2HD1      LEU  22  -7.805   1.531  -3.945
  168   HD13  LEU  22          3HD1      LEU  22  -7.336   2.922  -2.984
  169   HD21  LEU  22          3HD2      LEU  22  -4.843   0.434  -5.242
  170   HD22  LEU  22          1HD2      LEU  22  -6.505   0.038  -4.812
  171   HD23  LEU  22          2HD2      LEU  22  -5.185  -0.410  -3.740
  172    H    GLU  23           H        GLU  23  -8.651   2.678  -5.012
  173    HA   GLU  23           HA       GLU  23  -9.226   5.574  -4.706
  174    HB2  GLU  23           1HB      GLU  23 -10.809   3.462  -6.158
  175    HB3  GLU  23           2HB      GLU  23 -11.568   4.941  -5.578
  176    HG2  GLU  23           1HG      GLU  23  -9.139   4.883  -7.399
  177    HG3  GLU  23           2HG      GLU  23 -10.794   5.028  -7.982
  178    H    ALA  24           H        ALA  24 -10.991   6.034  -3.324
  179    HA   ALA  24           HA       ALA  24 -10.912   4.598  -0.891
  180    HB1  ALA  24           3HB      ALA  24 -12.672   6.139  -0.156
  181    HB2  ALA  24           1HB      ALA  24 -12.911   6.666  -1.822
  182    HB3  ALA  24           2HB      ALA  24 -11.389   7.006  -0.998
  183    H    GLY  25           H        GLY  25 -12.165   2.958  -0.140
  184    HA2  GLY  25           1HA      GLY  25 -14.322   1.861   0.042
  185    HA3  GLY  25           2HA      GLY  25 -14.586   2.170  -1.670
  186    H    ASP  26           H        ASP  26 -11.642   1.521  -2.123
  187    HA   ASP  26           HA       ASP  26 -12.022  -1.305  -2.679
  188    HB2  ASP  26           1HB      ASP  26  -9.555   0.395  -2.987
  189    HB3  ASP  26           2HB      ASP  26  -9.861  -1.135  -3.765
  190    H    ARG  27           H        ARG  27 -10.931  -3.051  -1.743
  191    HA   ARG  27           HA       ARG  27  -9.520  -2.492   0.821
  192    HB2  ARG  27           1HB      ARG  27 -10.148  -4.804   1.449
  193    HB3  ARG  27           2HB      ARG  27 -11.548  -3.776   1.168
  194    HG2  ARG  27           1HG      ARG  27 -11.870  -4.732  -1.047
  195    HG3  ARG  27           2HG      ARG  27 -10.388  -5.677  -0.898
  196    HD2  ARG  27           1HD      ARG  27 -11.334  -6.905   1.002
  197    HD3  ARG  27           2HD      ARG  27 -12.813  -5.956   0.906
  198    HE   ARG  27           HE       ARG  27 -12.078  -8.178  -0.774
  199   HH11  ARG  27          1HH2      ARG  27 -13.831  -5.199  -0.594
  200   HH12  ARG  27          2HH2      ARG  27 -14.944  -5.622  -1.850
  201   HH21  ARG  27          1HH1      ARG  27 -13.540  -8.732  -2.424
  202   HH22  ARG  27          2HH1      ARG  27 -14.779  -7.614  -2.881
  203    H    ILE  28           H        ILE  28  -7.832  -3.983   1.400
  204    HA   ILE  28           HA       ILE  28  -6.152  -4.690  -0.940
  205    HB   ILE  28           HB       ILE  28  -5.272  -4.663   1.960
  206   HG12  ILE  28          1HG1      ILE  28  -6.165  -2.449   1.526
  207   HG13  ILE  28          2HG1      ILE  28  -4.408  -2.355   1.463
  208   HG21  ILE  28          1HG2      ILE  28  -3.790  -5.797   0.375
  209   HG22  ILE  28          2HG2      ILE  28  -3.056  -4.282   0.902
  210   HG23  ILE  28          3HG2      ILE  28  -3.816  -4.389  -0.688
  211   HD11  ILE  28          3HD1      ILE  28  -6.366  -2.324  -0.840
  212   HD12  ILE  28          1HD1      ILE  28  -4.656  -2.670  -1.093
  213   HD13  ILE  28          2HD1      ILE  28  -5.151  -1.120  -0.427
  214    H    ALA  29           H        ALA  29  -6.268  -6.708  -1.620
  215    HA   ALA  29           HA       ALA  29  -7.081  -8.887   0.186
  216    HB1  ALA  29           3HB      ALA  29  -6.599  -8.807  -2.803
  217    HB2  ALA  29           1HB      ALA  29  -8.163  -8.765  -1.987
  218    HB3  ALA  29           2HB      ALA  29  -7.166 -10.217  -1.907
  219    H    ALA  30           H        ALA  30  -4.240  -7.518  -1.066
  220    HA   ALA  30           HA       ALA  30  -2.487  -9.205   0.334
  221    HB1  ALA  30           3HB      ALA  30  -3.019 -10.038  -2.511
  222    HB2  ALA  30           1HB      ALA  30  -2.895 -11.054  -1.077
  223    HB3  ALA  30           2HB      ALA  30  -1.444 -10.348  -1.779
  224    H    ILE  31           H        ILE  31  -0.185  -8.970  -0.369
  225    HA   ILE  31           HA       ILE  31   0.348  -6.564  -1.975
  226    HB   ILE  31           HB       ILE  31   1.403  -6.977   0.831
  227   HG12  ILE  31          1HG1      ILE  31  -0.204  -4.707  -0.372
  228   HG13  ILE  31          2HG1      ILE  31  -0.919  -6.009   0.561
  229   HG21  ILE  31          1HG2      ILE  31   2.537  -4.727   0.345
  230   HG22  ILE  31          2HG2      ILE  31   2.146  -4.993  -1.348
  231   HG23  ILE  31          3HG2      ILE  31   3.221  -6.105  -0.509
  232   HD11  ILE  31          3HD1      ILE  31  -0.517  -4.091   2.008
  233   HD12  ILE  31          1HD1      ILE  31   1.185  -4.078   1.549
  234   HD13  ILE  31          2HD1      ILE  31   0.535  -5.435   2.464
  235    H    ASP  32           H        ASP  32   1.862  -6.906  -3.380
  236    HA   ASP  32           HA       ASP  32   3.445  -8.028  -4.614
  237    HB2  ASP  32           1HB      ASP  32   5.567  -8.087  -3.590
  238    HB3  ASP  32           2HB      ASP  32   4.706  -6.813  -2.739
  239    H    GLY  33           H        GLY  33   1.307  -9.658  -3.282
  240    HA2  GLY  33           1HA      GLY  33   0.825 -11.927  -3.845
  241    HA3  GLY  33           2HA      GLY  33   2.537 -12.308  -3.728
  242    H    GLN  34           H        GLN  34   2.091 -10.447  -1.138
  243    HA   GLN  34           HA       GLN  34   1.908 -12.693   0.693
  244    HB2  GLN  34           1HB      GLN  34   2.335  -9.751   1.245
  245    HB3  GLN  34           2HB      GLN  34   2.527 -11.057   2.413
  246    HG2  GLN  34           1HG      GLN  34   4.092 -10.823  -0.170
  247    HG3  GLN  34           2HG      GLN  34   4.695 -10.322   1.410
  248   HE21  GLN  34          2HE2      GLN  34   4.311 -13.015  -0.711
  249   HE22  GLN  34          1HE2      GLN  34   4.816 -14.220   0.372
  250    HA   PRO  35           HA       PRO  35  -2.457 -11.652   1.409
  251    HB2  PRO  35           1HB      PRO  35  -3.134 -13.633   3.139
  252    HB3  PRO  35           2HB      PRO  35  -2.816 -13.965   1.423
  253    HG2  PRO  35           1HG      PRO  35  -0.996 -14.337   3.783
  254    HG3  PRO  35           2HG      PRO  35  -1.287 -15.429   2.413
  255    HD2  PRO  35           1HD      PRO  35   0.894 -13.735   2.550
  256    HD3  PRO  35           2HD      PRO  35   0.176 -14.278   1.009
  257    H    ILE  36           H        ILE  36  -3.164 -10.046   2.685
  258    HA   ILE  36           HA       ILE  36  -1.900  -9.576   5.313
  259    HB   ILE  36           HB       ILE  36  -3.684  -7.734   3.708
  260   HG12  ILE  36          1HG1      ILE  36  -1.732  -8.218   2.357
  261   HG13  ILE  36          2HG1      ILE  36  -1.514  -6.625   3.062
  262   HG21  ILE  36          1HG2      ILE  36  -1.675  -7.139   5.904
  263   HG22  ILE  36          2HG2      ILE  36  -3.411  -7.263   6.177
  264   HG23  ILE  36          3HG2      ILE  36  -2.774  -5.995   5.144
  265   HD11  ILE  36          3HD1      ILE  36   0.578  -7.642   3.405
  266   HD12  ILE  36          1HD1      ILE  36  -0.140  -9.208   3.758
  267   HD13  ILE  36          2HD1      ILE  36  -0.219  -7.912   4.954
  268    H    ASN  37           H        ASN  37  -2.867 -10.142   7.014
  269    HA   ASN  37           HA       ASN  37  -5.843 -10.274   7.181
  270    HB2  ASN  37           1HB      ASN  37  -4.660 -12.468   7.399
  271    HB3  ASN  37           2HB      ASN  37  -3.849 -11.844   8.833
  272   HD21  ASN  37          2HD2      ASN  37  -4.917 -13.285  10.330
  273   HD22  ASN  37          1HD2      ASN  37  -6.579 -13.173  10.657
  274    H    THR  38           H        THR  38  -2.968  -8.852   8.501
  275    HA   THR  38           HA       THR  38  -4.593  -7.496  10.586
  276    HB   THR  38           HB       THR  38  -2.690  -7.596  12.111
  277    HG1  THR  38           HG1      THR  38  -1.521  -9.107  10.021
  278   HG21  THR  38          3HG2      THR  38  -4.384  -9.436  12.096
  279   HG22  THR  38          1HG2      THR  38  -2.799  -9.928  12.694
  280   HG23  THR  38          2HG2      THR  38  -3.298 -10.364  11.060
  281    H    SER  39           H        SER  39  -3.838  -5.436  11.204
  282    HA   SER  39           HA       SER  39  -2.796  -3.872   9.037
  283    HB2  SER  39           1HB      SER  39  -4.456  -3.021  10.708
  284    HB3  SER  39           2HB      SER  39  -3.188  -3.075  11.932
  285    HG   SER  39           HG       SER  39  -2.230  -1.400  11.024
  286    H    GLU  40           H        GLU  40  -1.528  -5.301  11.973
  287    HA   GLU  40           HA       GLU  40   0.923  -3.876  12.082
  288    HB2  GLU  40           1HB      GLU  40   0.151  -6.622  13.111
  289    HB3  GLU  40           2HB      GLU  40   1.685  -5.835  13.476
  290    HG2  GLU  40           1HG      GLU  40   0.212  -5.352  15.308
  291    HG3  GLU  40           2HG      GLU  40   0.357  -3.867  14.375
  292    H    GLN  41           H        GLN  41  -0.113  -6.713  10.269
  293    HA   GLN  41           HA       GLN  41   2.412  -7.665   9.533
  294    HB2  GLN  41           1HB      GLN  41   0.242  -8.851   9.110
  295    HB3  GLN  41           2HB      GLN  41  -0.103  -7.688   7.838
  296    HG2  GLN  41           1HG      GLN  41   0.839  -9.691   6.836
  297    HG3  GLN  41           2HG      GLN  41   2.010  -8.388   6.688
  298   HE21  GLN  41          2HE2      GLN  41   3.944  -9.638   6.748
  299   HE22  GLN  41          1HE2      GLN  41   4.393 -10.593   8.077
  300    H    ILE  42           H        ILE  42   0.535  -4.908   8.381
  301    HA   ILE  42           HA       ILE  42   2.050  -4.460   6.011
  302    HB   ILE  42           HB       ILE  42   0.328  -2.594   7.657
  303   HG12  ILE  42          1HG1      ILE  42  -0.905  -4.586   6.883
  304   HG13  ILE  42          2HG1      ILE  42  -1.443  -3.149   6.021
  305   HG21  ILE  42          1HG2      ILE  42   1.458  -2.375   4.859
  306   HG22  ILE  42          2HG2      ILE  42   1.702  -1.265   6.210
  307   HG23  ILE  42          3HG2      ILE  42   0.120  -1.380   5.435
  308   HD11  ILE  42          3HD1      ILE  42   0.056  -5.521   5.017
  309   HD12  ILE  42          1HD1      ILE  42   0.473  -3.974   4.287
  310   HD13  ILE  42          2HD1      ILE  42  -1.177  -4.553   4.222
  311    H    VAL  43           H        VAL  43   2.432  -3.579   9.390
  312    HA   VAL  43           HA       VAL  43   4.205  -1.392   9.025
  313    HB   VAL  43           HB       VAL  43   3.886  -3.302  11.359
  314   HG11  VAL  43          1HG1      VAL  43   5.185  -0.576  11.106
  315   HG12  VAL  43          2HG1      VAL  43   5.952  -2.086  11.603
  316   HG13  VAL  43          3HG1      VAL  43   4.770  -1.311  12.655
  317   HG21  VAL  43          3HG2      VAL  43   1.798  -2.098  10.638
  318   HG22  VAL  43          1HG2      VAL  43   2.648  -0.575  10.893
  319   HG23  VAL  43          2HG2      VAL  43   2.341  -1.652  12.255
  320    H    SER  44           H        SER  44   4.674  -4.898   9.433
  321    HA   SER  44           HA       SER  44   7.521  -4.749   9.618
  322    HB2  SER  44           1HB      SER  44   7.425  -7.171   9.146
  323    HB3  SER  44           2HB      SER  44   6.290  -6.714  10.413
  324    HG   SER  44           HG       SER  44   5.213  -8.007   8.953
  325    H    TYR  45           H        TYR  45   5.208  -5.263   7.038
  326    HA   TYR  45           HA       TYR  45   6.952  -5.901   4.939
  327    HB2  TYR  45           1HB      TYR  45   4.511  -6.054   4.764
  328    HB3  TYR  45           2HB      TYR  45   4.386  -4.299   4.816
  329    HD1  TYR  45           HD1      TYR  45   6.115  -7.041   2.942
  330    HD2  TYR  45           HD2      TYR  45   4.386  -3.109   2.764
  331    HE1  TYR  45           HE1      TYR  45   6.457  -7.000   0.486
  332    HE2  TYR  45           HE2      TYR  45   4.720  -3.073   0.321
  333    HH   TYR  45           HH       TYR  45   6.479  -5.650  -1.338
  334    H    VAL  46           H        VAL  46   5.629  -2.660   5.694
  335    HA   VAL  46           HA       VAL  46   7.223  -1.234   3.892
  336    HB   VAL  46           HB       VAL  46   6.778   0.726   5.387
  337   HG11  VAL  46          1HG1      VAL  46   4.414   0.806   5.015
  338   HG12  VAL  46          2HG1      VAL  46   4.337  -0.954   4.892
  339   HG13  VAL  46          3HG1      VAL  46   5.170  -0.016   3.654
  340   HG21  VAL  46          3HG2      VAL  46   5.596  -1.406   7.115
  341   HG22  VAL  46          1HG2      VAL  46   5.194   0.282   7.312
  342   HG23  VAL  46          2HG2      VAL  46   6.847  -0.264   7.553
  343    H    ARG  47           H        ARG  47   7.866  -2.278   7.205
  344    HA   ARG  47           HA       ARG  47  10.152  -0.746   7.695
  345    HB2  ARG  47           1HB      ARG  47   8.994  -2.082   9.427
  346    HB3  ARG  47           2HB      ARG  47   9.595  -3.559   8.674
  347    HG2  ARG  47           1HG      ARG  47  11.901  -2.886   9.086
  348    HG3  ARG  47           2HG      ARG  47  11.365  -1.327   9.710
  349    HD2  ARG  47           1HD      ARG  47  10.193  -2.471  11.556
  350    HD3  ARG  47           2HD      ARG  47  10.722  -4.029  10.925
  351    HE   ARG  47           HE       ARG  47  13.004  -2.443  11.263
  352   HH11  ARG  47          1HH2      ARG  47  10.499  -3.896  13.169
  353   HH12  ARG  47          2HH2      ARG  47  11.491  -4.058  14.578
  354   HH21  ARG  47          1HH1      ARG  47  14.292  -2.657  13.109
  355   HH22  ARG  47          2HH1      ARG  47  13.628  -3.359  14.546
  356    H    GLU  48           H        GLU  48   9.807  -3.882   6.056
  357    HA   GLU  48           HA       GLU  48  12.552  -4.433   5.722
  358    HB2  GLU  48           1HB      GLU  48  10.191  -5.173   3.968
  359    HB3  GLU  48           2HB      GLU  48  11.811  -5.843   3.782
  360    HG2  GLU  48           1HG      GLU  48  10.180  -6.038   6.323
  361    HG3  GLU  48           2HG      GLU  48  10.263  -7.305   5.105
  362    H    LYS  49           H        LYS  49  10.263  -2.626   3.697
  363    HA   LYS  49           HA       LYS  49  12.365  -1.966   1.762
  364    HB2  LYS  49           1HB      LYS  49   9.526  -0.918   1.763
  365    HB3  LYS  49           2HB      LYS  49  10.626  -1.073   0.420
  366    HG2  LYS  49           1HG      LYS  49   9.530  -3.451   1.952
  367    HG3  LYS  49           2HG      LYS  49   8.819  -2.831   0.474
  368    HD2  LYS  49           1HD      LYS  49  10.962  -3.226  -0.715
  369    HD3  LYS  49           2HD      LYS  49  11.639  -3.915   0.760
  370    HE2  LYS  49           1HE      LYS  49   9.139  -4.975  -0.577
  371    HE3  LYS  49           2HE      LYS  49  10.753  -5.628  -0.862
  372    HZ1  LYS  49           3HZ      LYS  49  10.133  -5.340   1.923
  373    HZ2  LYS  49           1HZ      LYS  49  10.739  -6.681   1.083
  374    HZ3  LYS  49           2HZ      LYS  49   9.064  -6.390   1.122
  375    H    GLN  50           H        GLN  50  12.925   0.193   1.226
  376    HA   GLN  50           HA       GLN  50  12.668   2.116   3.467
  377    HB2  GLN  50           1HB      GLN  50  14.828   3.065   2.610
  378    HB3  GLN  50           2HB      GLN  50  14.961   1.426   3.241
  379    HG2  GLN  50           1HG      GLN  50  14.530   1.984   0.288
  380    HG3  GLN  50           2HG      GLN  50  16.136   1.879   1.000
  381   HE21  GLN  50          2HE2      GLN  50  16.641  -0.251   2.156
  382   HE22  GLN  50          1HE2      GLN  50  15.915  -1.666   1.563
  383    H    ALA  51           H        ALA  51  13.395   4.431   2.472
  384    HA   ALA  51           HA       ALA  51  11.166   5.255   0.932
  385    HB1  ALA  51           3HB      ALA  51  12.181   6.806   2.467
  386    HB2  ALA  51           1HB      ALA  51  12.438   7.443   0.842
  387    HB3  ALA  51           2HB      ALA  51  13.753   6.629   1.691
  388    H    GLY  52           H        GLY  52  10.958   5.674  -1.233
  389    HA2  GLY  52           1HA      GLY  52  11.642   6.013  -3.446
  390    HA3  GLY  52           2HA      GLY  52  13.295   5.609  -2.996
  391    H    ASP  53           H        ASP  53  11.347   3.314  -1.602
  392    HA   ASP  53           HA       ASP  53  12.187   1.292  -3.479
  393    HB2  ASP  53           1HB      ASP  53  11.990   0.918  -1.010
  394    HB3  ASP  53           2HB      ASP  53  10.245   0.996  -1.172
  395    H    ARG  54           H        ARG  54  10.355  -0.440  -3.963
  396    HA   ARG  54           HA       ARG  54   7.919   0.855  -5.022
  397    HB2  ARG  54           1HB      ARG  54   9.611   0.781  -6.847
  398    HB3  ARG  54           2HB      ARG  54   9.751  -0.959  -6.619
  399    HG2  ARG  54           1HG      ARG  54   7.400  -1.263  -7.194
  400    HG3  ARG  54           2HG      ARG  54   7.180   0.480  -7.312
  401    HD2  ARG  54           1HD      ARG  54   8.751   0.578  -9.189
  402    HD3  ARG  54           2HD      ARG  54   9.071  -1.148  -9.040
  403    HE   ARG  54           HE       ARG  54   6.296  -0.778  -9.392
  404   HH11  ARG  54          1HH2      ARG  54   9.302  -0.400 -11.078
  405   HH12  ARG  54          2HH2      ARG  54   8.613  -0.672 -12.641
  406   HH21  ARG  54          1HH1      ARG  54   5.395  -1.132 -11.437
  407   HH22  ARG  54          2HH1      ARG  54   6.399  -1.086 -12.844
  408    H    VAL  55           H        VAL  55   6.256  -0.286  -4.385
  409    HA   VAL  55           HA       VAL  55   6.519  -3.221  -3.980
  410    HB   VAL  55           HB       VAL  55   4.955  -2.940  -2.028
  411   HG11  VAL  55          1HG1      VAL  55   7.661  -1.572  -1.897
  412   HG12  VAL  55          2HG1      VAL  55   7.359  -3.297  -1.704
  413   HG13  VAL  55          3HG1      VAL  55   6.755  -2.157  -0.502
  414   HG21  VAL  55          3HG2      VAL  55   5.742  -0.026  -2.362
  415   HG22  VAL  55          1HG2      VAL  55   4.843  -0.704  -1.005
  416   HG23  VAL  55          2HG2      VAL  55   4.124  -0.687  -2.613
  417    H    ARG  56           H        ARG  56   5.025  -4.420  -4.756
  418    HA   ARG  56           HA       ARG  56   2.840  -3.261  -6.333
  419    HB2  ARG  56           1HB      ARG  56   4.132  -5.983  -6.120
  420    HB3  ARG  56           2HB      ARG  56   2.526  -5.847  -6.830
  421    HG2  ARG  56           1HG      ARG  56   4.205  -5.751  -8.599
  422    HG3  ARG  56           2HG      ARG  56   3.414  -4.185  -8.464
  423    HD2  ARG  56           1HD      ARG  56   5.289  -3.297  -7.186
  424    HD3  ARG  56           2HD      ARG  56   6.068  -4.879  -7.158
  425    HE   ARG  56           HE       ARG  56   6.036  -2.984  -9.355
  426   HH11  ARG  56          1HH2      ARG  56   6.351  -6.294  -8.402
  427   HH12  ARG  56          2HH2      ARG  56   7.276  -6.749  -9.792
  428   HH21  ARG  56          1HH1      ARG  56   7.246  -3.573 -11.178
  429   HH22  ARG  56          2HH1      ARG  56   7.783  -5.206 -11.364
  430    H    VAL  57           H        VAL  57   0.882  -3.020  -5.514
  431    HA   VAL  57           HA       VAL  57   0.060  -4.630  -3.141
  432    HB   VAL  57           HB       VAL  57  -0.647  -1.816  -3.948
  433   HG11  VAL  57          1HG1      VAL  57  -1.775  -3.610  -1.781
  434   HG12  VAL  57          2HG1      VAL  57  -2.659  -2.706  -3.007
  435   HG13  VAL  57          3HG1      VAL  57  -1.875  -1.851  -1.682
  436   HG21  VAL  57          3HG2      VAL  57   0.419  -1.288  -1.756
  437   HG22  VAL  57          1HG2      VAL  57   1.545  -2.024  -2.895
  438   HG23  VAL  57          2HG2      VAL  57   0.856  -2.984  -1.590
  439    H    THR  58           H        THR  58  -1.700  -5.903  -3.307
  440    HA   THR  58           HA       THR  58  -3.287  -5.810  -5.785
  441    HB   THR  58           HB       THR  58  -3.173  -7.867  -3.564
  442    HG1  THR  58           HG1      THR  58  -2.129  -9.008  -5.421
  443   HG21  THR  58          3HG2      THR  58  -5.288  -7.998  -4.710
  444   HG22  THR  58          1HG2      THR  58  -4.266  -9.296  -5.325
  445   HG23  THR  58          2HG2      THR  58  -4.504  -7.834  -6.282
  446    H    PHE  59           H        PHE  59  -5.409  -5.281  -5.814
  447    HA   PHE  59           HA       PHE  59  -6.922  -5.153  -3.296
  448    HB2  PHE  59           1HB      PHE  59  -7.542  -2.868  -3.481
  449    HB3  PHE  59           2HB      PHE  59  -5.802  -2.881  -3.696
  450    HD1  PHE  59           HD1      PHE  59  -9.056  -2.600  -5.441
  451    HD2  PHE  59           HD2      PHE  59  -4.792  -2.268  -5.830
  452    HE1  PHE  59           HE1      PHE  59  -9.346  -1.489  -7.621
  453    HE2  PHE  59           HE2      PHE  59  -5.093  -1.168  -8.032
  454    HZ   PHE  59           HZ       PHE  59  -7.365  -0.768  -8.922
  455    H    ILE  60           H        ILE  60  -9.265  -5.219  -3.651
  456    HA   ILE  60           HA       ILE  60 -10.017  -5.995  -6.408
  457    HB   ILE  60           HB       ILE  60 -10.723  -7.029  -3.673
  458   HG12  ILE  60          1HG1      ILE  60 -10.621  -9.194  -4.855
  459   HG13  ILE  60          2HG1      ILE  60 -10.416  -8.354  -6.392
  460   HG21  ILE  60          1HG2      ILE  60 -12.622  -6.927  -6.022
  461   HG22  ILE  60          2HG2      ILE  60 -12.937  -6.453  -4.352
  462   HG23  ILE  60          3HG2      ILE  60 -12.772  -8.160  -4.767
  463   HD11  ILE  60          3HD1      ILE  60  -8.242  -7.695  -5.890
  464   HD12  ILE  60          1HD1      ILE  60  -8.307  -9.250  -5.075
  465   HD13  ILE  60          2HD1      ILE  60  -8.492  -7.765  -4.147
  466    H    ARG  61           H        ARG  61 -11.672  -5.009  -7.399
  467    HA   ARG  61           HA       ARG  61 -13.385  -3.161  -5.880
  468    HB2  ARG  61           1HB      ARG  61 -11.761  -1.674  -6.784
  469    HB3  ARG  61           2HB      ARG  61 -11.697  -2.538  -8.310
  470    HG2  ARG  61           1HG      ARG  61 -13.785  -1.685  -9.037
  471    HG3  ARG  61           2HG      ARG  61 -14.295  -1.264  -7.404
  472    HD2  ARG  61           1HD      ARG  61 -11.896   0.115  -8.615
  473    HD3  ARG  61           2HD      ARG  61 -13.527   0.655  -9.020
  474    HE   ARG  61           HE       ARG  61 -13.064   0.334  -6.176
  475   HH11  ARG  61          1HH2      ARG  61 -12.807   2.431  -8.918
  476   HH12  ARG  61          2HH2      ARG  61 -12.900   3.884  -7.983
  477   HH21  ARG  61          1HH1      ARG  61 -13.194   2.237  -4.953
  478   HH22  ARG  61          2HH1      ARG  61 -13.119   3.774  -5.742
  479    H    ASP  62           H        ASP  62 -15.400  -3.711  -6.239
  480    HA   ASP  62           HA       ASP  62 -17.280  -4.694  -7.187
  481    HB2  ASP  62           1HB      ASP  62 -15.965  -3.416  -9.596
  482    HB3  ASP  62           2HB      ASP  62 -17.590  -4.098  -9.624
  483    H    ARG  63           H        ARG  63 -15.110  -6.519  -6.811
  484    HA   ARG  63           HA       ARG  63 -14.654  -8.676  -7.298
  485    HB2  ARG  63           1HB      ARG  63 -17.162  -8.601  -8.098
  486    HB3  ARG  63           2HB      ARG  63 -16.470  -8.660  -9.715
  487    HG2  ARG  63           1HG      ARG  63 -15.257 -10.740  -9.118
  488    HG3  ARG  63           2HG      ARG  63 -15.950 -10.677  -7.500
  489    HD2  ARG  63           1HD      ARG  63 -18.234 -10.757  -8.551
  490    HD3  ARG  63           2HD      ARG  63 -17.450 -11.011 -10.110
  491    HE   ARG  63           HE       ARG  63 -16.427 -12.923  -8.334
  492   HH11  ARG  63          1HH2      ARG  63 -19.425 -12.026  -9.816
  493   HH12  ARG  63          2HH2      ARG  63 -20.058 -13.636  -9.823
  494   HH21  ARG  63          1HH1      ARG  63 -17.259 -15.036  -8.342
  495   HH22  ARG  63          2HH1      ARG  63 -18.835 -15.337  -8.990
  496    H    LYS  64           H        LYS  64 -13.573  -6.161  -8.873
  497    HA   LYS  64           HA       LYS  64 -12.217  -7.664 -11.050
  498    HB2  LYS  64           1HB      LYS  64 -12.493  -4.670 -10.699
  499    HB3  LYS  64           2HB      LYS  64 -11.818  -5.519 -12.079
  500    HG2  LYS  64           1HG      LYS  64 -13.927  -6.385 -12.754
  501    HG3  LYS  64           2HG      LYS  64 -14.676  -6.021 -11.202
  502    HD2  LYS  64           1HD      LYS  64 -15.300  -4.440 -13.082
  503    HD3  LYS  64           2HD      LYS  64 -14.658  -3.661 -11.638
  504    HE2  LYS  64           1HE      LYS  64 -12.537  -3.283 -12.657
  505    HE3  LYS  64           2HE      LYS  64 -12.884  -4.394 -13.982
  506    HZ1  LYS  64           3HZ      LYS  64 -13.564  -2.610 -15.097
  507    HZ2  LYS  64           1HZ      LYS  64 -13.549  -1.630 -13.715
  508    HZ3  LYS  64           2HZ      LYS  64 -14.917  -2.571 -14.071
  509    H    GLN  65           H        GLN  65 -10.462  -8.518 -10.035
  510    HA   GLN  65           HA       GLN  65  -8.921  -7.144  -8.086
  511    HB2  GLN  65           1HB      GLN  65  -7.364  -9.041  -8.315
  512    HB3  GLN  65           2HB      GLN  65  -9.035  -9.567  -8.112
  513    HG2  GLN  65           1HG      GLN  65  -9.193  -9.743 -10.632
  514    HG3  GLN  65           2HG      GLN  65  -7.458  -9.448 -10.698
  515   HE21  GLN  65          2HE2      GLN  65  -7.433 -11.699 -11.693
  516   HE22  GLN  65          1HE2      GLN  65  -7.398 -13.029 -10.639
  517    H    HIS  66           H        HIS  66  -7.351  -5.728  -8.304
  518    HA   HIS  66           HA       HIS  66  -5.719  -5.626 -10.756
  519    HB2  HIS  66           1HB      HIS  66  -7.225  -3.263  -9.640
  520    HB3  HIS  66           2HB      HIS  66  -5.996  -3.168 -10.897
  521    HD1  HIS  66           HD1      HIS  66  -6.575  -4.728 -13.095
  522    HD2  HIS  66           HD2      HIS  66  -9.728  -3.707 -10.583
  523    HE1  HIS  66           HE1      HIS  66  -8.689  -5.072 -14.445
  524    HE2  HIS  66           HE2      HIS  66 -10.631  -4.442 -12.933
  525    H    GLU  67           H        GLU  67  -3.699  -4.960 -10.441
  526    HA   GLU  67           HA       GLU  67  -2.721  -4.665  -7.723
  527    HB2  GLU  67           1HB      GLU  67  -1.319  -4.992 -10.379
  528    HB3  GLU  67           2HB      GLU  67  -0.487  -4.850  -8.830
  529    HG2  GLU  67           1HG      GLU  67  -1.632  -6.853  -8.003
  530    HG3  GLU  67           2HG      GLU  67  -2.524  -6.990  -9.517
  531    H    ALA  68           H        ALA  68  -1.576  -2.956  -6.983
  532    HA   ALA  68           HA       ALA  68  -1.601  -0.449  -8.575
  533    HB1  ALA  68           3HB      ALA  68  -3.268  -0.608  -6.667
  534    HB2  ALA  68           1HB      ALA  68  -2.184   0.777  -6.620
  535    HB3  ALA  68           2HB      ALA  68  -1.898  -0.612  -5.570
  536    H    GLU  69           H        GLU  69   0.227   0.540  -8.777
  537    HA   GLU  69           HA       GLU  69   2.648  -0.484  -7.443
  538    HB2  GLU  69           1HB      GLU  69   2.653  -0.179  -9.896
  539    HB3  GLU  69           2HB      GLU  69   2.373   1.547  -9.676
  540    HG2  GLU  69           1HG      GLU  69   4.495   1.782  -8.487
  541    HG3  GLU  69           2HG      GLU  69   4.756   0.041  -8.555
  542    H    LEU  70           H        LEU  70   2.917   0.348  -5.494
  543    HA   LEU  70           HA       LEU  70   2.660   3.289  -5.070
  544    HB2  LEU  70           1HB      LEU  70   2.213   0.935  -3.261
  545    HB3  LEU  70           2HB      LEU  70   2.673   2.475  -2.553
  546    HG   LEU  70           HG       LEU  70   0.737   3.568  -3.596
  547   HD11  LEU  70          1HD1      LEU  70  -1.036   1.882  -4.596
  548   HD12  LEU  70          2HD1      LEU  70   0.376   0.873  -4.904
  549   HD13  LEU  70          3HD1      LEU  70   0.270   2.485  -5.611
  550   HD21  LEU  70          3HD2      LEU  70  -0.100   1.008  -2.202
  551   HD22  LEU  70          1HD2      LEU  70  -0.997   2.524  -2.250
  552   HD23  LEU  70          2HD2      LEU  70   0.528   2.431  -1.369
  553    H    VAL  71           H        VAL  71   4.286   4.405  -4.085
  554    HA   VAL  71           HA       VAL  71   6.925   3.070  -3.881
  555    HB   VAL  71           HB       VAL  71   6.122   5.858  -4.762
  556   HG11  VAL  71          1HG1      VAL  71   8.838   4.807  -3.913
  557   HG12  VAL  71          2HG1      VAL  71   8.036   6.288  -3.403
  558   HG13  VAL  71          3HG1      VAL  71   8.687   6.160  -5.036
  559   HG21  VAL  71          3HG2      VAL  71   7.711   3.641  -6.083
  560   HG22  VAL  71          1HG2      VAL  71   7.393   5.224  -6.788
  561   HG23  VAL  71          2HG2      VAL  71   6.059   4.111  -6.484
  562    H    LEU  72           H        LEU  72   7.876   3.140  -1.974
  563    HA   LEU  72           HA       LEU  72   6.616   4.146   0.351
  564    HB2  LEU  72           1HB      LEU  72   9.345   3.052  -0.316
  565    HB3  LEU  72           2HB      LEU  72   9.011   3.647   1.296
  566    HG   LEU  72           HG       LEU  72   8.680   1.193   1.039
  567   HD11  LEU  72          1HD1      LEU  72   6.905   1.125   2.520
  568   HD12  LEU  72          2HD1      LEU  72   5.923   2.264   1.608
  569   HD13  LEU  72          3HD1      LEU  72   7.245   2.847   2.615
  570   HD21  LEU  72          3HD2      LEU  72   6.231   1.897  -0.596
  571   HD22  LEU  72          1HD2      LEU  72   6.895   0.297  -0.275
  572   HD23  LEU  72          2HD2      LEU  72   7.756   1.406  -1.340
  573    H    LYS  73           H        LYS  73   6.749   6.117   1.361
  574    HA   LYS  73           HA       LYS  73   8.941   7.936   0.635
  575    HB2  LYS  73           1HB      LYS  73   5.979   8.441   0.431
  576    HB3  LYS  73           2HB      LYS  73   7.087   9.789   0.677
  577    HG2  LYS  73           1HG      LYS  73   7.613   7.810  -1.563
  578    HG3  LYS  73           2HG      LYS  73   6.418   9.083  -1.788
  579    HD2  LYS  73           1HD      LYS  73   8.096  10.800  -1.319
  580    HD3  LYS  73           2HD      LYS  73   9.307   9.570  -0.981
  581    HE2  LYS  73           1HE      LYS  73   9.472  10.509  -3.297
  582    HE3  LYS  73           2HE      LYS  73   9.220   8.763  -3.264
  583    HZ1  LYS  73           3HZ      LYS  73   6.991  10.700  -3.501
  584    HZ2  LYS  73           1HZ      LYS  73   6.951   9.027  -3.778
  585    HZ3  LYS  73           2HZ      LYS  73   7.787  10.045  -4.852
  586    HA   PRO  74           HA       PRO  74   8.866   8.419   5.111
  587    HB2  PRO  74           1HB      PRO  74  10.526  10.548   5.423
  588    HB3  PRO  74           2HB      PRO  74  11.132   8.980   4.839
  589    HG2  PRO  74           1HG      PRO  74  10.330  11.396   3.232
  590    HG3  PRO  74           2HG      PRO  74  11.823  10.433   3.119
  591    HD2  PRO  74           1HD      PRO  74   9.750  10.003   1.419
  592    HD3  PRO  74           2HD      PRO  74  10.744   8.655   2.017
  593    H    PHE  75           H        PHE  75   8.180   9.929   6.797
  594    HA   PHE  75           HA       PHE  75   6.328  12.045   5.811
  595    HB2  PHE  75           1HB      PHE  75   6.017  10.221   8.202
  596    HB3  PHE  75           2HB      PHE  75   4.906  11.506   7.739
  597    HD1  PHE  75           HD1      PHE  75   3.657  11.383   5.584
  598    HD2  PHE  75           HD2      PHE  75   6.034   8.099   7.009
  599    HE1  PHE  75           HE1      PHE  75   2.525   9.867   3.982
  600    HE2  PHE  75           HE2      PHE  75   4.901   6.586   5.405
  601    HZ   PHE  75           HZ       PHE  75   3.148   7.470   3.890
  602    HA   PRO  76           HA       PRO  76   8.696  14.789   8.402
  603    HB2  PRO  76           1HB      PRO  76   6.838  16.759   8.952
  604    HB3  PRO  76           2HB      PRO  76   7.646  16.594   7.381
  605    HG2  PRO  76           1HG      PRO  76   4.923  15.648   8.210
  606    HG3  PRO  76           2HG      PRO  76   5.419  16.444   6.702
  607    HD2  PRO  76           1HD      PRO  76   5.047  13.746   6.843
  608    HD3  PRO  76           2HD      PRO  76   6.289  14.461   5.788
  609    H    HIS  77           H        HIS  77   5.618  13.537   9.533
  610    HA   HIS  77           HA       HIS  77   5.863  14.332  12.257
  611    HB2  HIS  77           1HB      HIS  77   4.320  12.027  11.037
  612    HB3  HIS  77           2HB      HIS  77   4.094  12.664  12.666
  613    HD1  HIS  77           HD1      HIS  77   3.252  13.296   9.114
  614    HD2  HIS  77           HD2      HIS  77   3.006  15.365  12.724
  615    HE1  HIS  77           HE1      HIS  77   1.727  15.275   8.701
  616    HE2  HIS  77           HE2      HIS  77   1.567  16.547  10.894
  617    H    HIS  78           H        HIS  78   6.960  11.603  10.375
  618    HA   HIS  78           HA       HIS  78   8.745  10.749  12.553
  619    HB2  HIS  78           1HB      HIS  78   6.764   8.897  11.199
  620    HB3  HIS  78           2HB      HIS  78   8.059   8.390  12.283
  621    HD1  HIS  78           HD1      HIS  78   7.864   9.136  14.806
  622    HD2  HIS  78           HD2      HIS  78   4.509   9.992  12.484
  623    HE1  HIS  78           HE1      HIS  78   6.005   9.719  16.424
  624    HE2  HIS  78           HE2      HIS  78   3.953  10.243  15.023
  625    HA   PRO  79           HA       PRO  79  10.607  10.944   8.251
  626    HB2  PRO  79           1HB      PRO  79  12.947  11.674   9.998
  627    HB3  PRO  79           2HB      PRO  79  12.417  12.407   8.469
  628    HG2  PRO  79           1HG      PRO  79  11.978  13.648  10.783
  629    HG3  PRO  79           2HG      PRO  79  10.748  13.665   9.502
  630    HD2  PRO  79           1HD      PRO  79  10.808  12.020  12.028
  631    HD3  PRO  79           2HD      PRO  79   9.421  12.790  11.224
  632    H    ASN  80           H        ASN  80  11.585   9.455  11.289
  633    HA   ASN  80           HA       ASN  80  13.441   7.589  10.074
  634    HB2  ASN  80           1HB      ASN  80  12.312   7.891  12.870
  635    HB3  ASN  80           2HB      ASN  80  13.485   6.651  12.420
  636   HD21  ASN  80          2HD2      ASN  80  13.083  10.046  13.173
  637   HD22  ASN  80          1HD2      ASN  80  14.721  10.467  13.034
  638    H    GLN  81           H        GLN  81  10.372   7.713   9.489
  639    HA   GLN  81           HA       GLN  81   9.944   4.791   9.717
  640    HB2  GLN  81           1HB      GLN  81   7.953   7.005  10.312
  641    HB3  GLN  81           2HB      GLN  81   7.510   5.309  10.083
  642    HG2  GLN  81           1HG      GLN  81   9.024   4.669  11.929
  643    HG3  GLN  81           2HG      GLN  81   9.427   6.365  12.180
  644   HE21  GLN  81          2HE2      GLN  81   6.365   6.809  11.391
  645   HE22  GLN  81          1HE2      GLN  81   5.582   6.560  12.876
  646    H    ILE  82           H        ILE  82   9.150   3.872   7.913
  647    HA   ILE  82           HA       ILE  82   8.546   5.644   5.597
  648    HB   ILE  82           HB       ILE  82   9.398   2.886   4.929
  649   HG12  ILE  82          1HG1      ILE  82  10.837   3.155   6.928
  650   HG13  ILE  82          2HG1      ILE  82  11.787   3.198   5.454
  651   HG21  ILE  82          1HG2      ILE  82  10.500   5.611   4.171
  652   HG22  ILE  82          2HG2      ILE  82   9.194   4.779   3.344
  653   HG23  ILE  82          3HG2      ILE  82  10.815   4.087   3.344
  654   HD11  ILE  82          3HD1      ILE  82  11.725   5.132   7.537
  655   HD12  ILE  82          1HD1      ILE  82  11.013   5.902   6.118
  656   HD13  ILE  82          2HD1      ILE  82  12.623   5.200   6.022
  657    H    GLY  83           H        GLY  83   6.625   5.326   4.558
  658    HA2  GLY  83           1HA      GLY  83   4.499   4.546   4.208
  659    HA3  GLY  83           2HA      GLY  83   5.280   2.973   4.145
  660    H    LEU  84           H        LEU  84   3.121   4.956   5.856
  661    HA   LEU  84           HA       LEU  84   3.185   3.261   8.287
  662    HB2  LEU  84           1HB      LEU  84   1.504   5.709   7.704
  663    HB3  LEU  84           2HB      LEU  84   1.735   4.918   9.263
  664    HG   LEU  84           HG       LEU  84   3.898   6.294   7.638
  665   HD11  LEU  84          1HD1      LEU  84   3.877   7.930   9.492
  666   HD12  LEU  84          2HD1      LEU  84   2.537   7.057  10.237
  667   HD13  LEU  84          3HD1      LEU  84   2.312   7.856   8.681
  668   HD21  LEU  84          3HD2      LEU  84   5.165   5.981   9.897
  669   HD22  LEU  84          1HD2      LEU  84   5.019   4.581   8.840
  670   HD23  LEU  84          2HD2      LEU  84   3.958   4.744  10.240
  671    H    GLY  85           H        GLY  85   1.977   3.192   5.317
  672    HA2  GLY  85           1HA      GLY  85   0.475   1.584   4.432
  673    HA3  GLY  85           2HA      GLY  85  -0.263   1.411   6.022
  674    H    VAL  86           H        VAL  86   0.346   4.246   3.967
  675    HA   VAL  86           HA       VAL  86  -2.530   4.978   4.150
  676    HB   VAL  86           HB       VAL  86  -0.947   6.621   5.116
  677   HG11  VAL  86          1HG1      VAL  86   0.953   6.026   3.566
  678   HG12  VAL  86          2HG1      VAL  86   0.670   7.758   3.730
  679   HG13  VAL  86          3HG1      VAL  86   0.116   6.908   2.288
  680   HG21  VAL  86          3HG2      VAL  86  -1.838   8.553   3.963
  681   HG22  VAL  86          1HG2      VAL  86  -3.086   7.308   3.961
  682   HG23  VAL  86          2HG2      VAL  86  -2.138   7.612   2.503
  683    H    THR  87           H        THR  87  -3.608   5.640   2.289
  684    HA   THR  87           HA       THR  87  -2.480   4.619  -0.242
  685    HB   THR  87           HB       THR  87  -5.322   5.392   0.456
  686    HG1  THR  87           HG1      THR  87  -4.929   3.665   1.677
  687   HG21  THR  87          3HG2      THR  87  -5.837   3.989  -1.521
  688   HG22  THR  87          1HG2      THR  87  -4.113   3.806  -1.824
  689   HG23  THR  87          2HG2      THR  87  -4.868   5.396  -1.946
  Start of MODEL    2
    1    H1   MET   1           1H       MET   1 -22.271 -13.220   4.041
    2    H2   MET   1           2H       MET   1 -22.968 -14.190   5.250
    3    H3   MET   1           3H       MET   1 -23.921 -13.615   3.966
    4    HA   MET   1           HA       MET   1 -23.173 -16.029   3.863
    5    HB2  MET   1           1HB      MET   1 -24.140 -14.723   1.969
    6    HB3  MET   1           2HB      MET   1 -22.517 -14.171   1.553
    7    HG2  MET   1           1HG      MET   1 -21.799 -16.477   1.151
    8    HG3  MET   1           2HG      MET   1 -23.373 -17.080   1.668
    9    HE1  MET   1           3HE      MET   1 -23.679 -17.928  -1.964
   10    HE2  MET   1           1HE      MET   1 -24.653 -18.143  -0.506
   11    HE3  MET   1           2HE      MET   1 -22.906 -18.373  -0.444
   12    H    ASN   2           H        ASN   2 -20.784 -13.607   2.773
   13    HA   ASN   2           HA       ASN   2 -18.622 -15.534   2.770
   14    HB2  ASN   2           1HB      ASN   2 -17.228 -13.554   2.199
   15    HB3  ASN   2           2HB      ASN   2 -18.611 -13.754   1.126
   16   HD21  ASN   2          2HD2      ASN   2 -18.012 -12.143   4.318
   17   HD22  ASN   2          1HD2      ASN   2 -18.828 -10.715   3.897
   18    H    GLU   3           H        GLU   3 -16.477 -14.534   3.846
   19    HA   GLU   3           HA       GLU   3 -16.844 -13.320   6.434
   20    HB2  GLU   3           1HB      GLU   3 -16.038 -15.276   7.744
   21    HB3  GLU   3           2HB      GLU   3 -17.611 -15.571   7.004
   22    HG2  GLU   3           1HG      GLU   3 -16.468 -16.742   5.121
   23    HG3  GLU   3           2HG      GLU   3 -14.928 -16.519   5.951
   24    H    ALA   4           H        ALA   4 -14.851 -12.878   7.478
   25    HA   ALA   4           HA       ALA   4 -12.593 -12.473   7.658
   26    HB1  ALA   4           3HB      ALA   4 -12.454 -14.925   6.726
   27    HB2  ALA   4           1HB      ALA   4 -11.014 -13.909   6.669
   28    HB3  ALA   4           2HB      ALA   4 -11.980 -14.147   5.216
   29    H    LYS   5           H        LYS   5 -10.980 -11.151   6.689
   30    HA   LYS   5           HA       LYS   5 -11.256 -10.112   4.030
   31    HB2  LYS   5           1HB      LYS   5 -11.729  -7.685   4.952
   32    HB3  LYS   5           2HB      LYS   5 -13.074  -8.794   4.691
   33    HG2  LYS   5           1HG      LYS   5 -13.201  -7.637   6.891
   34    HG3  LYS   5           2HG      LYS   5 -13.120  -9.391   7.044
   35    HD2  LYS   5           1HD      LYS   5 -10.822  -9.338   7.707
   36    HD3  LYS   5           2HD      LYS   5 -10.638  -7.653   7.215
   37    HE2  LYS   5           1HE      LYS   5 -10.818  -7.760   9.642
   38    HE3  LYS   5           2HE      LYS   5 -12.283  -7.017   9.001
   39    HZ1  LYS   5           3HZ      LYS   5 -12.284  -9.916   9.296
   40    HZ2  LYS   5           1HZ      LYS   5 -13.537  -8.798   9.544
   41    HZ3  LYS   5           2HZ      LYS   5 -12.335  -9.002  10.727
   42    H    GLY   6           H        GLY   6  -9.979  -7.855   3.979
   43    HA2  GLY   6           1HA      GLY   6  -7.364  -8.345   5.346
   44    HA3  GLY   6           2HA      GLY   6  -7.525  -7.666   3.731
   45    H    VAL   7           H        VAL   7  -7.442  -5.512   3.554
   46    HA   VAL   7           HA       VAL   7  -8.086  -3.811   5.908
   47    HB   VAL   7           HB       VAL   7  -5.819  -3.339   3.949
   48   HG11  VAL   7          1HG1      VAL   7  -6.621  -2.055   6.580
   49   HG12  VAL   7          2HG1      VAL   7  -6.626  -1.295   4.989
   50   HG13  VAL   7          3HG1      VAL   7  -5.100  -1.739   5.748
   51   HG21  VAL   7          3HG2      VAL   7  -4.360  -4.038   5.859
   52   HG22  VAL   7          1HG2      VAL   7  -5.359  -5.359   5.246
   53   HG23  VAL   7          2HG2      VAL   7  -5.807  -4.533   6.738
   54    H    TYR   8           H        TYR   8  -8.745  -1.650   5.363
   55    HA   TYR   8           HA       TYR   8  -9.879  -1.362   2.624
   56    HB2  TYR   8           1HB      TYR   8 -11.046  -0.494   5.278
   57    HB3  TYR   8           2HB      TYR   8 -11.762  -0.196   3.694
   58    HD1  TYR   8           HD2      TYR   8 -12.667  -2.060   2.340
   59    HD2  TYR   8           HD1      TYR   8 -11.060  -2.734   6.271
   60    HE1  TYR   8           HE2      TYR   8 -13.725  -4.302   2.391
   61    HE2  TYR   8           HE1      TYR   8 -12.119  -4.978   6.317
   62    HH   TYR   8           HH       TYR   8 -14.019  -6.139   5.234
   63    H    VAL   9           H        VAL   9  -9.428   0.495   1.591
   64    HA   VAL   9           HA       VAL   9  -7.583   2.401   2.740
   65    HB   VAL   9           HB       VAL   9  -9.071   2.264   0.096
   66   HG11  VAL   9          1HG1      VAL   9  -8.624   4.601   0.438
   67   HG12  VAL   9          2HG1      VAL   9  -7.367   4.004  -0.644
   68   HG13  VAL   9          3HG1      VAL   9  -7.016   4.263   1.063
   69   HG21  VAL   9          3HG2      VAL   9  -6.776   1.735  -0.745
   70   HG22  VAL   9          1HG2      VAL   9  -7.402   0.529   0.375
   71   HG23  VAL   9          2HG2      VAL   9  -6.209   1.711   0.919
   72    H    MET  10           H        MET  10  -8.204   4.139   4.022
   73    HA   MET  10           HA       MET  10 -10.960   4.806   4.288
   74    HB2  MET  10           1HB      MET  10  -8.541   6.345   5.261
   75    HB3  MET  10           2HB      MET  10 -10.167   6.346   5.946
   76    HG2  MET  10           1HG      MET  10  -8.289   3.962   5.856
   77    HG3  MET  10           2HG      MET  10  -8.647   4.937   7.272
   78    HE1  MET  10           3HE      MET  10  -9.287   2.804   8.589
   79    HE2  MET  10           1HE      MET  10 -11.026   2.585   8.804
   80    HE3  MET  10           2HE      MET  10 -10.311   4.188   8.966
   81    H    SER  11           H        SER  11  -8.211   6.976   3.487
   82    HA   SER  11           HA       SER  11  -9.967   8.387   1.517
   83    HB2  SER  11           1HB      SER  11  -9.099  10.506   2.290
   84    HB3  SER  11           2HB      SER  11  -9.751   9.631   3.673
   85    HG   SER  11           HG       SER  11  -7.844   9.786   4.505
   86    H    VAL  12           H        VAL  12  -8.739   9.756   0.004
   87    HA   VAL  12           HA       VAL  12  -6.086   8.606  -0.701
   88    HB   VAL  12           HB       VAL  12  -8.228   9.579  -2.609
   89   HG11  VAL  12          1HG1      VAL  12  -5.597   8.131  -3.009
   90   HG12  VAL  12          2HG1      VAL  12  -5.967   9.787  -3.489
   91   HG13  VAL  12          3HG1      VAL  12  -6.778   8.437  -4.285
   92   HG21  VAL  12          3HG2      VAL  12  -8.894   7.489  -1.417
   93   HG22  VAL  12          1HG2      VAL  12  -7.402   6.732  -1.978
   94   HG23  VAL  12          2HG2      VAL  12  -8.624   7.248  -3.135
   95    H    LEU  13           H        LEU  13  -4.573  10.099  -0.616
   96    HA   LEU  13           HA       LEU  13  -5.309  12.910  -0.497
   97    HB2  LEU  13           1HB      LEU  13  -2.952  11.268   0.273
   98    HB3  LEU  13           2HB      LEU  13  -2.566  12.900  -0.250
   99    HG   LEU  13           HG       LEU  13  -4.233  13.765   1.417
  100   HD11  LEU  13          1HD1      LEU  13  -5.676  11.808   1.575
  101   HD12  LEU  13          2HD1      LEU  13  -4.982  12.109   3.165
  102   HD13  LEU  13          3HD1      LEU  13  -4.339  10.815   2.154
  103   HD21  LEU  13          3HD2      LEU  13  -2.120  11.941   2.614
  104   HD22  LEU  13          1HD2      LEU  13  -2.808  13.384   3.360
  105   HD23  LEU  13          2HD2      LEU  13  -1.786  13.531   1.931
  106    HA   PRO  14           HA       PRO  14  -4.291  13.892  -4.676
  107    HB2  PRO  14           1HB      PRO  14  -3.459  16.494  -4.479
  108    HB3  PRO  14           2HB      PRO  14  -5.147  16.015  -4.206
  109    HG2  PRO  14           1HG      PRO  14  -2.984  16.517  -2.179
  110    HG3  PRO  14           2HG      PRO  14  -4.666  17.095  -2.185
  111    HD2  PRO  14           1HD      PRO  14  -3.918  14.930  -0.712
  112    HD3  PRO  14           2HD      PRO  14  -5.522  15.037  -1.475
  113    H    ASN  15           H        ASN  15  -2.608  14.121  -6.153
  114    HA   ASN  15           HA       ASN  15  -0.505  13.726  -6.968
  115    HB2  ASN  15           1HB      ASN  15  -0.277  16.055  -6.110
  116    HB3  ASN  15           2HB      ASN  15   0.330  15.395  -4.591
  117   HD21  ASN  15          2HD2      ASN  15   2.162  16.986  -5.782
  118   HD22  ASN  15          1HD2      ASN  15   3.356  16.092  -6.590
  119    H    MET  16           H        MET  16  -1.415  11.594  -5.430
  120    HA   MET  16           HA       MET  16   1.045  10.719  -4.012
  121    HB2  MET  16           1HB      MET  16  -1.882  10.328  -3.376
  122    HB3  MET  16           2HB      MET  16  -0.706   9.170  -2.778
  123    HG2  MET  16           1HG      MET  16  -0.479  12.163  -2.338
  124    HG3  MET  16           2HG      MET  16  -1.214  11.063  -1.188
  125    HE1  MET  16           3HE      MET  16   0.841  12.807  -0.119
  126    HE2  MET  16           1HE      MET  16   2.002  11.757   0.699
  127    HE3  MET  16           2HE      MET  16   0.274  11.430   0.824
  128    HA   PRO  17           HA       PRO  17   1.436   7.436  -6.878
  129    HB2  PRO  17           1HB      PRO  17   2.259   5.318  -5.238
  130    HB3  PRO  17           2HB      PRO  17   3.319   6.629  -5.788
  131    HG2  PRO  17           1HG      PRO  17   1.898   6.321  -3.167
  132    HG3  PRO  17           2HG      PRO  17   3.535   6.926  -3.487
  133    HD2  PRO  17           1HD      PRO  17   1.507   8.615  -2.968
  134    HD3  PRO  17           2HD      PRO  17   2.776   9.040  -4.107
  135    H    ALA  18           H        ALA  18  -0.792   7.064  -4.238
  136    HA   ALA  18           HA       ALA  18  -1.975   4.604  -5.315
  137    HB1  ALA  18           3HB      ALA  18  -3.443   4.787  -3.351
  138    HB2  ALA  18           1HB      ALA  18  -2.763   6.373  -2.984
  139    HB3  ALA  18           2HB      ALA  18  -1.752   4.940  -2.891
  140    H    ALA  19           H        ALA  19  -2.471   8.017  -5.418
  141    HA   ALA  19           HA       ALA  19  -5.251   7.993  -6.128
  142    HB1  ALA  19           3HB      ALA  19  -4.890  10.323  -6.880
  143    HB2  ALA  19           1HB      ALA  19  -3.157  10.120  -6.628
  144    HB3  ALA  19           2HB      ALA  19  -4.263  10.036  -5.256
  145    H    GLY  20           H        GLY  20  -6.244   7.993  -8.093
  146    HA2  GLY  20           1HA      GLY  20  -6.466   7.990 -10.424
  147    HA3  GLY  20           2HA      GLY  20  -4.714   8.035 -10.586
  148    H    ARG  21           H        ARG  21  -4.596   5.759  -8.558
  149    HA   ARG  21           HA       ARG  21  -5.294   3.522 -10.408
  150    HB2  ARG  21           1HB      ARG  21  -2.959   3.859  -8.502
  151    HB3  ARG  21           2HB      ARG  21  -3.364   2.334  -9.297
  152    HG2  ARG  21           1HG      ARG  21  -3.081   3.359 -11.492
  153    HG3  ARG  21           2HG      ARG  21  -2.787   4.931 -10.748
  154    HD2  ARG  21           1HD      ARG  21  -0.801   4.027  -9.611
  155    HD3  ARG  21           2HD      ARG  21  -1.085   2.454 -10.364
  156    HE   ARG  21           HE       ARG  21  -0.943   4.088 -12.517
  157   HH11  ARG  21          1HH2      ARG  21   1.026   3.732  -9.694
  158   HH12  ARG  21          2HH2      ARG  21   2.501   4.159 -10.491
  159   HH21  ARG  21          1HH1      ARG  21   0.999   4.657 -13.584
  160   HH22  ARG  21          2HH1      ARG  21   2.487   4.687 -12.698
  161    H    LEU  22           H        LEU  22  -5.190   4.702  -7.093
  162    HA   LEU  22           HA       LEU  22  -6.913   2.446  -6.269
  163    HB2  LEU  22           1HB      LEU  22  -4.408   3.131  -5.205
  164    HB3  LEU  22           2HB      LEU  22  -5.524   3.865  -4.066
  165    HG   LEU  22           HG       LEU  22  -4.981   1.610  -3.371
  166   HD11  LEU  22          1HD1      LEU  22  -7.169   0.881  -2.879
  167   HD12  LEU  22          2HD1      LEU  22  -7.815   1.448  -4.408
  168   HD13  LEU  22          3HD1      LEU  22  -7.375   2.609  -3.157
  169   HD21  LEU  22          3HD2      LEU  22  -4.854  -0.208  -4.760
  170   HD22  LEU  22          1HD2      LEU  22  -4.877   0.963  -6.075
  171   HD23  LEU  22          2HD2      LEU  22  -6.368   0.188  -5.573
  172    H    GLU  23           H        GLU  23  -8.781   2.858  -5.208
  173    HA   GLU  23           HA       GLU  23  -9.457   5.699  -4.673
  174    HB2  GLU  23           1HB      GLU  23 -11.058   3.605  -6.138
  175    HB3  GLU  23           2HB      GLU  23 -11.766   5.090  -5.512
  176    HG2  GLU  23           1HG      GLU  23 -10.190   6.419  -6.882
  177    HG3  GLU  23           2HG      GLU  23  -9.446   4.934  -7.471
  178    H    ALA  24           H        ALA  24 -10.967   6.052  -3.097
  179    HA   ALA  24           HA       ALA  24 -10.790   4.488  -0.785
  180    HB1  ALA  24           3HB      ALA  24 -11.437   6.891  -0.788
  181    HB2  ALA  24           1HB      ALA  24 -12.595   5.900   0.098
  182    HB3  ALA  24           2HB      ALA  24 -12.977   6.458  -1.530
  183    H    GLY  25           H        GLY  25 -12.074   2.880   0.062
  184    HA2  GLY  25           1HA      GLY  25 -14.107   1.627   0.228
  185    HA3  GLY  25           2HA      GLY  25 -14.447   1.976  -1.464
  186    H    ASP  26           H        ASP  26 -11.581   1.481  -2.205
  187    HA   ASP  26           HA       ASP  26 -11.833  -1.333  -2.762
  188    HB2  ASP  26           1HB      ASP  26  -9.504   0.545  -3.052
  189    HB3  ASP  26           2HB      ASP  26  -9.540  -1.059  -3.694
  190    H    ARG  27           H        ARG  27 -10.642  -3.062  -1.936
  191    HA   ARG  27           HA       ARG  27  -9.293  -2.599   0.667
  192    HB2  ARG  27           1HB      ARG  27 -10.098  -4.727   1.395
  193    HB3  ARG  27           2HB      ARG  27 -11.475  -3.898   0.694
  194    HG2  ARG  27           1HG      ARG  27 -11.066  -5.156  -1.444
  195    HG3  ARG  27           2HG      ARG  27  -9.804  -6.073  -0.621
  196    HD2  ARG  27           1HD      ARG  27 -11.769  -7.418  -0.460
  197    HD3  ARG  27           2HD      ARG  27 -11.574  -6.684   1.125
  198    HE   ARG  27           HE       ARG  27 -13.191  -4.988  -0.424
  199   HH11  ARG  27          1HH2      ARG  27 -13.187  -8.154   0.972
  200   HH12  ARG  27          2HH2      ARG  27 -14.902  -8.209   1.204
  201   HH21  ARG  27          1HH1      ARG  27 -15.444  -5.042  -0.131
  202   HH22  ARG  27          2HH1      ARG  27 -16.184  -6.437   0.575
  203    H    ILE  28           H        ILE  28  -7.606  -4.062   1.195
  204    HA   ILE  28           HA       ILE  28  -5.927  -4.712  -1.163
  205    HB   ILE  28           HB       ILE  28  -5.019  -4.749   1.727
  206   HG12  ILE  28          1HG1      ILE  28  -5.959  -2.553   1.368
  207   HG13  ILE  28          2HG1      ILE  28  -4.208  -2.413   1.284
  208   HG21  ILE  28          1HG2      ILE  28  -3.548  -5.817   0.056
  209   HG22  ILE  28          2HG2      ILE  28  -2.813  -4.339   0.679
  210   HG23  ILE  28          3HG2      ILE  28  -3.574  -4.346  -0.916
  211   HD11  ILE  28          3HD1      ILE  28  -4.519  -2.669  -1.295
  212   HD12  ILE  28          1HD1      ILE  28  -4.972  -1.135  -0.557
  213   HD13  ILE  28          2HD1      ILE  28  -6.215  -2.310  -0.974
  214    H    ALA  29           H        ALA  29  -5.891  -6.706  -1.869
  215    HA   ALA  29           HA       ALA  29  -6.747  -8.945  -0.148
  216    HB1  ALA  29           3HB      ALA  29  -7.740  -8.787  -2.366
  217    HB2  ALA  29           1HB      ALA  29  -6.731 -10.230  -2.260
  218    HB3  ALA  29           2HB      ALA  29  -6.141  -8.801  -3.111
  219    H    ALA  30           H        ALA  30  -3.897  -7.477  -1.292
  220    HA   ALA  30           HA       ALA  30  -2.166  -9.152   0.145
  221    HB1  ALA  30           3HB      ALA  30  -1.003 -10.237  -1.930
  222    HB2  ALA  30           1HB      ALA  30  -2.557  -9.964  -2.727
  223    HB3  ALA  30           2HB      ALA  30  -2.466 -10.990  -1.296
  224    H    ILE  31           H        ILE  31   0.128  -8.791  -0.325
  225    HA   ILE  31           HA       ILE  31   0.721  -6.393  -1.931
  226    HB   ILE  31           HB       ILE  31   1.473  -6.677   0.991
  227   HG12  ILE  31          1HG1      ILE  31  -0.125  -4.531  -0.442
  228   HG13  ILE  31          2HG1      ILE  31  -0.855  -5.853   0.450
  229   HG21  ILE  31          1HG2      ILE  31   2.396  -4.739  -1.161
  230   HG22  ILE  31          2HG2      ILE  31   3.392  -5.741  -0.111
  231   HG23  ILE  31          3HG2      ILE  31   2.530  -4.365   0.557
  232   HD11  ILE  31          3HD1      ILE  31   0.951  -3.708   1.574
  233   HD12  ILE  31          1HD1      ILE  31   0.402  -5.118   2.470
  234   HD13  ILE  31          2HD1      ILE  31  -0.769  -3.931   1.908
  235    H    ASP  32           H        ASP  32   2.478  -6.618  -3.101
  236    HA   ASP  32           HA       ASP  32   4.355  -7.613  -4.028
  237    HB2  ASP  32           1HB      ASP  32   5.247  -6.479  -1.947
  238    HB3  ASP  32           2HB      ASP  32   5.146  -8.040  -1.135
  239    H    GLY  33           H        GLY  33   2.018  -9.378  -2.936
  240    HA2  GLY  33           1HA      GLY  33   1.682 -11.634  -3.694
  241    HA3  GLY  33           2HA      GLY  33   3.377 -11.976  -3.388
  242    H    GLN  34           H        GLN  34   2.521 -10.248  -0.775
  243    HA   GLN  34           HA       GLN  34   2.073 -12.671   0.799
  244    HB2  GLN  34           1HB      GLN  34   2.960 -11.546   2.645
  245    HB3  GLN  34           2HB      GLN  34   3.861 -10.865   1.293
  246    HG2  GLN  34           1HG      GLN  34   1.982  -9.014   1.319
  247    HG3  GLN  34           2HG      GLN  34   1.658  -9.615   2.922
  248   HE21  GLN  34          2HE2      GLN  34   2.728  -8.537   4.504
  249   HE22  GLN  34          1HE2      GLN  34   4.231  -7.767   4.332
  250    HA   PRO  35           HA       PRO  35  -2.256 -11.426   1.277
  251    HB2  PRO  35           1HB      PRO  35  -3.122 -13.345   2.995
  252    HB3  PRO  35           2HB      PRO  35  -2.697 -13.726   1.312
  253    HG2  PRO  35           1HG      PRO  35  -1.058 -14.100   3.800
  254    HG3  PRO  35           2HG      PRO  35  -1.287 -15.212   2.435
  255    HD2  PRO  35           1HD      PRO  35   0.936 -13.587   2.692
  256    HD3  PRO  35           2HD      PRO  35   0.303 -14.140   1.120
  257    H    ILE  36           H        ILE  36  -3.199  -9.944   2.520
  258    HA   ILE  36           HA       ILE  36  -2.069  -9.302   5.182
  259    HB   ILE  36           HB       ILE  36  -3.901  -7.587   3.488
  260   HG12  ILE  36          1HG1      ILE  36  -1.919  -7.960   2.170
  261   HG13  ILE  36          2HG1      ILE  36  -1.775  -6.359   2.880
  262   HG21  ILE  36          1HG2      ILE  36  -3.025  -5.781   4.906
  263   HG22  ILE  36          2HG2      ILE  36  -2.010  -6.931   5.770
  264   HG23  ILE  36          3HG2      ILE  36  -3.765  -7.023   5.901
  265   HD11  ILE  36          3HD1      ILE  36  -0.427  -7.541   4.763
  266   HD12  ILE  36          1HD1      ILE  36   0.360  -7.362   3.196
  267   HD13  ILE  36          2HD1      ILE  36  -0.355  -8.897   3.653
  268    H    ASN  37           H        ASN  37  -3.053 -10.013   6.812
  269    HA   ASN  37           HA       ASN  37  -6.006 -10.350   6.862
  270    HB2  ASN  37           1HB      ASN  37  -4.651 -12.424   7.229
  271    HB3  ASN  37           2HB      ASN  37  -3.960 -11.670   8.667
  272   HD21  ASN  37          2HD2      ASN  37  -7.198 -12.395   7.240
  273   HD22  ASN  37          1HD2      ASN  37  -7.944 -12.718   8.730
  274    H    THR  38           H        THR  38  -3.290  -8.800   8.439
  275    HA   THR  38           HA       THR  38  -5.183  -7.343  10.206
  276    HB   THR  38           HB       THR  38  -3.921  -7.688  12.155
  277    HG1  THR  38           HG1      THR  38  -1.889  -7.297  11.746
  278   HG21  THR  38          3HG2      THR  38  -4.965  -9.819  11.336
  279   HG22  THR  38          1HG2      THR  38  -3.564 -10.064  12.378
  280   HG23  THR  38          2HG2      THR  38  -3.407 -10.251  10.632
  281    H    SER  39           H        SER  39  -4.209  -5.379  11.127
  282    HA   SER  39           HA       SER  39  -3.005  -3.788   9.102
  283    HB2  SER  39           1HB      SER  39  -2.878  -2.064  10.872
  284    HB3  SER  39           2HB      SER  39  -4.474  -2.814  10.809
  285    HG   SER  39           HG       SER  39  -2.651  -2.779  12.807
  286    H    GLU  40           H        GLU  40  -1.808  -5.574  11.891
  287    HA   GLU  40           HA       GLU  40   0.780  -4.471  12.050
  288    HB2  GLU  40           1HB      GLU  40  -0.152  -7.288  12.656
  289    HB3  GLU  40           2HB      GLU  40   1.366  -6.577  13.201
  290    HG2  GLU  40           1HG      GLU  40  -1.369  -5.443  13.845
  291    HG3  GLU  40           2HG      GLU  40  -0.461  -6.501  14.922
  292    H    GLN  41           H        GLN  41  -0.529  -7.100  10.086
  293    HA   GLN  41           HA       GLN  41   1.829  -8.139   9.056
  294    HB2  GLN  41           1HB      GLN  41  -0.861  -7.755   7.723
  295    HB3  GLN  41           2HB      GLN  41   0.452  -8.673   6.990
  296    HG2  GLN  41           1HG      GLN  41  -0.656  -9.265   9.754
  297    HG3  GLN  41           2HG      GLN  41  -1.218 -10.071   8.291
  298   HE21  GLN  41          2HE2      GLN  41   0.809 -10.598  10.831
  299   HE22  GLN  41          1HE2      GLN  41   1.986 -11.559  10.077
  300    H    ILE  42           H        ILE  42   0.087  -5.163   8.051
  301    HA   ILE  42           HA       ILE  42   1.664  -4.591   5.807
  302    HB   ILE  42           HB       ILE  42   0.254  -2.740   7.736
  303   HG12  ILE  42          1HG1      ILE  42  -1.243  -4.440   6.781
  304   HG13  ILE  42          2HG1      ILE  42  -1.619  -2.841   6.147
  305   HG21  ILE  42          1HG2      ILE  42   1.819  -1.475   6.343
  306   HG22  ILE  42          2HG2      ILE  42   0.163  -1.157   5.843
  307   HG23  ILE  42          3HG2      ILE  42   1.164  -2.242   4.897
  308   HD11  ILE  42          3HD1      ILE  42  -0.446  -5.208   4.754
  309   HD12  ILE  42          1HD1      ILE  42   0.072  -3.625   4.207
  310   HD13  ILE  42          2HD1      ILE  42  -1.628  -4.045   4.169
  311    H    VAL  43           H        VAL  43   2.174  -3.992   9.286
  312    HA   VAL  43           HA       VAL  43   4.231  -2.096   9.013
  313    HB   VAL  43           HB       VAL  43   3.795  -4.147  11.173
  314   HG11  VAL  43          1HG1      VAL  43   5.334  -1.543  11.124
  315   HG12  VAL  43          2HG1      VAL  43   5.985  -3.162  11.387
  316   HG13  VAL  43          3HG1      VAL  43   4.937  -2.432  12.597
  317   HG21  VAL  43          3HG2      VAL  43   2.780  -1.294  10.979
  318   HG22  VAL  43          1HG2      VAL  43   2.471  -2.431  12.292
  319   HG23  VAL  43          2HG2      VAL  43   1.794  -2.728  10.695
  320    H    SER  44           H        SER  44   4.331  -5.715   9.245
  321    HA   SER  44           HA       SER  44   7.106  -5.956   9.364
  322    HB2  SER  44           1HB      SER  44   6.680  -8.222   8.447
  323    HB3  SER  44           2HB      SER  44   5.589  -7.810   9.767
  324    HG   SER  44           HG       SER  44   4.653  -7.028   7.324
  325    H    TYR  45           H        TYR  45   4.916  -5.790   6.615
  326    HA   TYR  45           HA       TYR  45   6.834  -6.229   4.611
  327    HB2  TYR  45           1HB      TYR  45   4.883  -6.171   3.405
  328    HB3  TYR  45           2HB      TYR  45   4.056  -5.384   4.737
  329    HD1  TYR  45           HD2      TYR  45   6.634  -4.484   2.126
  330    HD2  TYR  45           HD1      TYR  45   3.092  -3.300   4.231
  331    HE1  TYR  45           HE2      TYR  45   6.585  -2.351   0.867
  332    HE2  TYR  45           HE1      TYR  45   3.036  -1.184   2.964
  333    HH   TYR  45           HH       TYR  45   5.017   0.261   1.706
  334    H    VAL  46           H        VAL  46   5.566  -3.046   5.737
  335    HA   VAL  46           HA       VAL  46   7.266  -1.443   4.301
  336    HB   VAL  46           HB       VAL  46   6.184  -1.000   7.102
  337   HG11  VAL  46          1HG1      VAL  46   7.463   0.885   5.112
  338   HG12  VAL  46          2HG1      VAL  46   7.975   0.569   6.770
  339   HG13  VAL  46          3HG1      VAL  46   6.478   1.444   6.462
  340   HG21  VAL  46          3HG2      VAL  46   5.177  -0.206   4.344
  341   HG22  VAL  46          1HG2      VAL  46   4.474   0.351   5.862
  342   HG23  VAL  46          2HG2      VAL  46   4.421  -1.356   5.442
  343    H    ARG  47           H        ARG  47   7.877  -3.031   7.387
  344    HA   ARG  47           HA       ARG  47  10.349  -1.845   7.975
  345    HB2  ARG  47           1HB      ARG  47   9.214  -4.565   8.655
  346    HB3  ARG  47           2HB      ARG  47  10.720  -3.961   9.327
  347    HG2  ARG  47           1HG      ARG  47   8.314  -2.148   9.568
  348    HG3  ARG  47           2HG      ARG  47   8.319  -3.587  10.581
  349    HD2  ARG  47           1HD      ARG  47   9.317  -1.718  11.799
  350    HD3  ARG  47           2HD      ARG  47  10.551  -2.933  11.469
  351    HE   ARG  47           HE       ARG  47  10.319  -0.809   9.487
  352   HH11  ARG  47          1HH2      ARG  47  11.860  -1.950  12.383
  353   HH12  ARG  47          2HH2      ARG  47  13.261  -0.952  12.183
  354   HH21  ARG  47          1HH1      ARG  47  12.141   0.464   9.210
  355   HH22  ARG  47          2HH1      ARG  47  13.421   0.423  10.373
  356    H    GLU  48           H        GLU  48   9.522  -4.627   5.927
  357    HA   GLU  48           HA       GLU  48  12.148  -5.571   5.528
  358    HB2  GLU  48           1HB      GLU  48  10.041  -6.782   4.867
  359    HB3  GLU  48           2HB      GLU  48   9.855  -5.640   3.541
  360    HG2  GLU  48           1HG      GLU  48  10.924  -7.601   2.640
  361    HG3  GLU  48           2HG      GLU  48  12.156  -6.349   2.727
  362    H    LYS  49           H        LYS  49  10.165  -3.289   3.687
  363    HA   LYS  49           HA       LYS  49  12.408  -2.558   1.958
  364    HB2  LYS  49           1HB      LYS  49   9.666  -1.270   1.930
  365    HB3  LYS  49           2HB      LYS  49  10.810  -1.459   0.635
  366    HG2  LYS  49           1HG      LYS  49   9.309  -3.748   1.929
  367    HG3  LYS  49           2HG      LYS  49   8.882  -2.991   0.400
  368    HD2  LYS  49           1HD      LYS  49  11.101  -3.607  -0.515
  369    HD3  LYS  49           2HD      LYS  49  11.473  -4.437   0.996
  370    HE2  LYS  49           1HE      LYS  49   9.594  -5.950   0.677
  371    HE3  LYS  49           2HE      LYS  49   9.139  -5.099  -0.799
  372    HZ1  LYS  49           3HZ      LYS  49  11.267  -5.677  -1.764
  373    HZ2  LYS  49           1HZ      LYS  49  10.439  -7.079  -1.284
  374    HZ3  LYS  49           2HZ      LYS  49  11.723  -6.482  -0.341
  375    H    GLN  50           H        GLN  50  12.513  -0.121   1.509
  376    HA   GLN  50           HA       GLN  50  12.175   1.554   3.875
  377    HB2  GLN  50           1HB      GLN  50  14.494   2.100   4.150
  378    HB3  GLN  50           2HB      GLN  50  14.356   0.343   4.240
  379    HG2  GLN  50           1HG      GLN  50  14.883   0.393   1.664
  380    HG3  GLN  50           2HG      GLN  50  15.432   2.041   1.964
  381   HE21  GLN  50          2HE2      GLN  50  17.304   0.185   1.049
  382   HE22  GLN  50          1HE2      GLN  50  18.386  -0.180   2.304
  383    H    ALA  51           H        ALA  51  11.582   3.368   3.239
  384    HA   ALA  51           HA       ALA  51  10.814   4.804   1.314
  385    HB1  ALA  51           3HB      ALA  51  12.455   6.786   1.660
  386    HB2  ALA  51           1HB      ALA  51  13.254   5.739   2.832
  387    HB3  ALA  51           2HB      ALA  51  11.577   6.215   3.075
  388    H    GLY  52           H        GLY  52  11.074   4.951  -0.912
  389    HA2  GLY  52           1HA      GLY  52  12.403   5.401  -2.862
  390    HA3  GLY  52           2HA      GLY  52  13.812   4.722  -2.048
  391    H    ASP  53           H        ASP  53  11.483   2.647  -1.176
  392    HA   ASP  53           HA       ASP  53  12.252   0.680  -3.200
  393    HB2  ASP  53           1HB      ASP  53  12.083   0.123  -0.765
  394    HB3  ASP  53           2HB      ASP  53  10.342   0.329  -0.881
  395    H    ARG  54           H        ARG  54  10.350  -0.877  -3.830
  396    HA   ARG  54           HA       ARG  54   7.885   0.556  -4.566
  397    HB2  ARG  54           1HB      ARG  54   9.487  -0.911  -6.689
  398    HB3  ARG  54           2HB      ARG  54   8.101   0.162  -6.909
  399    HG2  ARG  54           1HG      ARG  54   9.501   2.034  -6.012
  400    HG3  ARG  54           2HG      ARG  54  10.869   0.929  -5.972
  401    HD2  ARG  54           1HD      ARG  54  10.966   2.203  -8.034
  402    HD3  ARG  54           2HD      ARG  54  10.570   0.528  -8.416
  403    HE   ARG  54           HE       ARG  54   8.179   1.987  -8.057
  404   HH11  ARG  54          1HH2      ARG  54  10.890   1.691 -10.199
  405   HH12  ARG  54          2HH2      ARG  54  10.005   2.179 -11.605
  406   HH21  ARG  54          1HH1      ARG  54   7.012   2.623  -9.903
  407   HH22  ARG  54          2HH1      ARG  54   7.810   2.707 -11.437
  408    H    VAL  55           H        VAL  55   6.235  -0.775  -4.122
  409    HA   VAL  55           HA       VAL  55   6.616  -3.699  -4.460
  410    HB   VAL  55           HB       VAL  55   5.105  -3.937  -2.391
  411   HG11  VAL  55          1HG1      VAL  55   6.965  -3.884  -0.877
  412   HG12  VAL  55          2HG1      VAL  55   7.796  -2.657  -1.828
  413   HG13  VAL  55          3HG1      VAL  55   7.630  -4.297  -2.450
  414   HG21  VAL  55          3HG2      VAL  55   4.394  -1.526  -2.456
  415   HG22  VAL  55          1HG2      VAL  55   6.027  -1.077  -1.967
  416   HG23  VAL  55          2HG2      VAL  55   5.005  -2.029  -0.888
  417    H    ARG  56           H        ARG  56   5.152  -4.693  -5.493
  418    HA   ARG  56           HA       ARG  56   2.928  -3.347  -6.752
  419    HB2  ARG  56           1HB      ARG  56   4.003  -6.180  -6.784
  420    HB3  ARG  56           2HB      ARG  56   2.449  -5.806  -7.523
  421    HG2  ARG  56           1HG      ARG  56   4.252  -5.705  -9.199
  422    HG3  ARG  56           2HG      ARG  56   3.520  -4.118  -8.967
  423    HD2  ARG  56           1HD      ARG  56   6.065  -4.144  -9.056
  424    HD3  ARG  56           2HD      ARG  56   5.367  -3.361  -7.641
  425    HE   ARG  56           HE       ARG  56   6.246  -5.060  -6.314
  426   HH11  ARG  56          1HH2      ARG  56   6.312  -5.937  -9.662
  427   HH12  ARG  56          2HH2      ARG  56   7.275  -7.354  -9.419
  428   HH21  ARG  56          1HH1      ARG  56   7.514  -6.933  -5.982
  429   HH22  ARG  56          2HH1      ARG  56   7.956  -7.919  -7.334
  430    H    VAL  57           H        VAL  57   1.105  -2.969  -5.736
  431    HA   VAL  57           HA       VAL  57   0.266  -4.677  -3.461
  432    HB   VAL  57           HB       VAL  57  -0.499  -1.865  -4.272
  433   HG11  VAL  57          1HG1      VAL  57  -2.492  -2.775  -3.317
  434   HG12  VAL  57          2HG1      VAL  57  -1.710  -1.929  -1.985
  435   HG13  VAL  57          3HG1      VAL  57  -1.591  -3.683  -2.105
  436   HG21  VAL  57          3HG2      VAL  57   0.643  -1.253  -2.185
  437   HG22  VAL  57          1HG2      VAL  57   1.733  -2.154  -3.237
  438   HG23  VAL  57          2HG2      VAL  57   0.977  -2.951  -1.860
  439    H    THR  58           H        THR  58  -1.580  -5.852  -3.542
  440    HA   THR  58           HA       THR  58  -3.138  -5.840  -6.062
  441    HB   THR  58           HB       THR  58  -3.126  -7.874  -3.811
  442    HG1  THR  58           HG1      THR  58  -1.365  -8.611  -4.633
  443   HG21  THR  58          3HG2      THR  58  -4.084  -9.340  -5.550
  444   HG22  THR  58          1HG2      THR  58  -4.034  -8.008  -6.703
  445   HG23  THR  58          2HG2      THR  58  -5.099  -7.921  -5.300
  446    H    PHE  59           H        PHE  59  -5.250  -5.200  -6.048
  447    HA   PHE  59           HA       PHE  59  -6.745  -5.140  -3.509
  448    HB2  PHE  59           1HB      PHE  59  -7.364  -2.848  -3.659
  449    HB3  PHE  59           2HB      PHE  59  -5.625  -2.853  -3.865
  450    HD1  PHE  59           HD1      PHE  59  -4.601  -2.409  -6.102
  451    HD2  PHE  59           HD2      PHE  59  -8.867  -2.368  -5.544
  452    HE1  PHE  59           HE1      PHE  59  -4.895  -1.254  -8.288
  453    HE2  PHE  59           HE2      PHE  59  -9.141  -1.207  -7.702
  454    HZ   PHE  59           HZ       PHE  59  -7.159  -0.639  -9.074
  455    H    ILE  60           H        ILE  60  -9.082  -5.201  -3.853
  456    HA   ILE  60           HA       ILE  60  -9.874  -5.899  -6.608
  457    HB   ILE  60           HB       ILE  60 -10.646  -6.869  -3.873
  458   HG12  ILE  60          1HG1      ILE  60 -10.583  -9.056  -4.983
  459   HG13  ILE  60          2HG1      ILE  60 -10.399  -8.276  -6.555
  460   HG21  ILE  60          1HG2      ILE  60 -12.546  -6.766  -6.234
  461   HG22  ILE  60          2HG2      ILE  60 -12.845  -6.229  -4.578
  462   HG23  ILE  60          3HG2      ILE  60 -12.731  -7.949  -4.937
  463   HD11  ILE  60          3HD1      ILE  60  -8.192  -7.629  -6.120
  464   HD12  ILE  60          1HD1      ILE  60  -8.269  -9.185  -5.303
  465   HD13  ILE  60          2HD1      ILE  60  -8.394  -7.695  -4.371
  466    H    ARG  61           H        ARG  61 -11.399  -4.841  -7.622
  467    HA   ARG  61           HA       ARG  61 -13.150  -2.980  -6.176
  468    HB2  ARG  61           1HB      ARG  61 -11.403  -1.537  -6.942
  469    HB3  ARG  61           2HB      ARG  61 -11.340  -2.327  -8.511
  470    HG2  ARG  61           1HG      ARG  61 -13.450  -1.411  -9.181
  471    HG3  ARG  61           2HG      ARG  61 -13.840  -0.912  -7.536
  472    HD2  ARG  61           1HD      ARG  61 -11.468   0.205  -9.053
  473    HD3  ARG  61           2HD      ARG  61 -13.066   0.949  -9.110
  474    HE   ARG  61           HE       ARG  61 -11.221   0.974  -6.873
  475   HH11  ARG  61          1HH2      ARG  61 -14.512   1.183  -7.934
  476   HH12  ARG  61          2HH2      ARG  61 -15.057   2.059  -6.543
  477   HH21  ARG  61          1HH1      ARG  61 -11.939   2.101  -5.015
  478   HH22  ARG  61          2HH1      ARG  61 -13.597   2.578  -4.889
  479    H    ASP  62           H        ASP  62 -15.135  -3.445  -6.660
  480    HA   ASP  62           HA       ASP  62 -17.014  -4.273  -7.718
  481    HB2  ASP  62           1HB      ASP  62 -15.474  -3.181 -10.083
  482    HB3  ASP  62           2HB      ASP  62 -17.139  -3.745 -10.190
  483    H    ARG  63           H        ARG  63 -15.029  -6.236  -7.169
  484    HA   ARG  63           HA       ARG  63 -14.636  -8.416  -7.561
  485    HB2  ARG  63           1HB      ARG  63 -16.540  -8.209  -9.886
  486    HB3  ARG  63           2HB      ARG  63 -16.022  -9.664  -9.071
  487    HG2  ARG  63           1HG      ARG  63 -17.536  -7.429  -7.692
  488    HG3  ARG  63           2HG      ARG  63 -18.313  -8.841  -8.393
  489    HD2  ARG  63           1HD      ARG  63 -16.787 -10.260  -6.900
  490    HD3  ARG  63           2HD      ARG  63 -16.374  -8.762  -6.068
  491    HE   ARG  63           HE       ARG  63 -19.176  -8.974  -6.207
  492   HH11  ARG  63          1HH2      ARG  63 -16.394 -10.449  -4.751
  493   HH12  ARG  63          2HH2      ARG  63 -17.243 -10.974  -3.336
  494   HH21  ARG  63          1HH1      ARG  63 -20.292  -9.660  -4.363
  495   HH22  ARG  63          2HH1      ARG  63 -19.460 -10.525  -3.119
  496    H    LYS  64           H        LYS  64 -13.494  -6.018  -9.263
  497    HA   LYS  64           HA       LYS  64 -12.074  -7.686 -11.269
  498    HB2  LYS  64           1HB      LYS  64 -12.260  -4.664 -11.187
  499    HB3  LYS  64           2HB      LYS  64 -11.648  -5.669 -12.500
  500    HG2  LYS  64           1HG      LYS  64 -13.995  -6.702 -12.615
  501    HG3  LYS  64           2HG      LYS  64 -14.512  -5.399 -11.549
  502    HD2  LYS  64           1HD      LYS  64 -13.154  -4.987 -14.226
  503    HD3  LYS  64           2HD      LYS  64 -14.890  -4.886 -13.959
  504    HE2  LYS  64           1HE      LYS  64 -14.376  -3.092 -12.201
  505    HE3  LYS  64           2HE      LYS  64 -12.737  -3.066 -12.853
  506    HZ1  LYS  64           3HZ      LYS  64 -14.692  -2.961 -14.917
  507    HZ2  LYS  64           1HZ      LYS  64 -13.403  -1.903 -14.596
  508    HZ3  LYS  64           2HZ      LYS  64 -14.895  -1.687 -13.812
  509    H    GLN  65           H        GLN  65 -10.283  -8.424 -10.323
  510    HA   GLN  65           HA       GLN  65  -8.829  -7.001  -8.318
  511    HB2  GLN  65           1HB      GLN  65  -7.343  -8.893  -8.337
  512    HB3  GLN  65           2HB      GLN  65  -9.001  -9.472  -8.424
  513    HG2  GLN  65           1HG      GLN  65  -8.127 -10.753 -10.168
  514    HG3  GLN  65           2HG      GLN  65  -8.520  -9.312 -11.095
  515   HE21  GLN  65          2HE2      GLN  65  -6.090  -8.027  -9.478
  516   HE22  GLN  65          1HE2      GLN  65  -4.753  -8.536 -10.389
  517    H    HIS  66           H        HIS  66  -7.271  -5.575  -8.560
  518    HA   HIS  66           HA       HIS  66  -5.607  -5.536 -11.002
  519    HB2  HIS  66           1HB      HIS  66  -7.046  -3.125  -9.882
  520    HB3  HIS  66           2HB      HIS  66  -5.839  -3.085 -11.164
  521    HD1  HIS  66           HD1      HIS  66  -6.501  -4.532 -13.379
  522    HD2  HIS  66           HD2      HIS  66  -9.593  -3.634 -10.741
  523    HE1  HIS  66           HE1      HIS  66  -8.657  -4.884 -14.665
  524    HE2  HIS  66           HE2      HIS  66 -10.555  -4.324 -13.073
  525    H    GLU  67           H        GLU  67  -3.572  -4.808 -10.691
  526    HA   GLU  67           HA       GLU  67  -2.587  -4.607  -7.974
  527    HB2  GLU  67           1HB      GLU  67  -1.187  -4.847 -10.641
  528    HB3  GLU  67           2HB      GLU  67  -0.346  -4.730  -9.095
  529    HG2  GLU  67           1HG      GLU  67  -1.424  -6.777  -8.315
  530    HG3  GLU  67           2HG      GLU  67  -2.363  -6.878  -9.803
  531    H    ALA  68           H        ALA  68  -1.620  -2.861  -7.128
  532    HA   ALA  68           HA       ALA  68  -1.609  -0.318  -8.657
  533    HB1  ALA  68           3HB      ALA  68  -2.180   0.844  -6.653
  534    HB2  ALA  68           1HB      ALA  68  -1.892  -0.579  -5.656
  535    HB3  ALA  68           2HB      ALA  68  -3.257  -0.542  -6.746
  536    H    GLU  69           H        GLU  69   0.239   0.547  -8.955
  537    HA   GLU  69           HA       GLU  69   2.679  -0.481  -7.775
  538    HB2  GLU  69           1HB      GLU  69   2.458   0.339 -10.180
  539    HB3  GLU  69           2HB      GLU  69   2.414   1.974  -9.531
  540    HG2  GLU  69           1HG      GLU  69   4.704   1.547 -10.107
  541    HG3  GLU  69           2HG      GLU  69   4.618   1.456  -8.353
  542    H    LEU  70           H        LEU  70   2.938   0.026  -5.691
  543    HA   LEU  70           HA       LEU  70   2.688   2.857  -4.805
  544    HB2  LEU  70           1HB      LEU  70   2.221   0.232  -3.442
  545    HB3  LEU  70           2HB      LEU  70   2.769   1.565  -2.446
  546    HG   LEU  70           HG       LEU  70   0.287   1.367  -2.525
  547   HD11  LEU  70          1HD1      LEU  70   0.608   3.977  -3.904
  548   HD12  LEU  70          2HD1      LEU  70   1.796   3.711  -2.633
  549   HD13  LEU  70          3HD1      LEU  70   0.086   3.615  -2.260
  550   HD21  LEU  70          3HD2      LEU  70   0.371   0.586  -5.020
  551   HD22  LEU  70          1HD2      LEU  70   0.370   2.306  -5.403
  552   HD23  LEU  70          2HD2      LEU  70  -0.975   1.597  -4.514
  553    H    VAL  71           H        VAL  71   4.285   3.860  -3.792
  554    HA   VAL  71           HA       VAL  71   6.919   2.522  -3.583
  555    HB   VAL  71           HB       VAL  71   7.949   4.640  -4.248
  556   HG11  VAL  71          1HG1      VAL  71   7.394   4.522  -6.602
  557   HG12  VAL  71          2HG1      VAL  71   5.819   3.817  -6.241
  558   HG13  VAL  71          3HG1      VAL  71   7.287   2.893  -5.940
  559   HG21  VAL  71          3HG2      VAL  71   5.084   5.555  -4.582
  560   HG22  VAL  71          1HG2      VAL  71   6.467   6.423  -5.242
  561   HG23  VAL  71          2HG2      VAL  71   6.290   6.249  -3.499
  562    H    LEU  72           H        LEU  72   7.956   2.748  -1.723
  563    HA   LEU  72           HA       LEU  72   6.625   3.827   0.548
  564    HB2  LEU  72           1HB      LEU  72   9.350   2.659   0.015
  565    HB3  LEU  72           2HB      LEU  72   8.962   3.314   1.599
  566    HG   LEU  72           HG       LEU  72   8.600   0.857   1.404
  567   HD11  LEU  72          1HD1      LEU  72   5.845   2.013   1.836
  568   HD12  LEU  72          2HD1      LEU  72   7.144   2.543   2.897
  569   HD13  LEU  72          3HD1      LEU  72   6.730   0.838   2.797
  570   HD21  LEU  72          3HD2      LEU  72   7.801   1.013  -1.025
  571   HD22  LEU  72          1HD2      LEU  72   6.235   1.519  -0.374
  572   HD23  LEU  72          2HD2      LEU  72   6.886  -0.067   0.022
  573    H    LYS  73           H        LYS  73   6.692   5.823   1.416
  574    HA   LYS  73           HA       LYS  73   8.956   7.563   0.751
  575    HB2  LYS  73           1HB      LYS  73   7.196   9.441   0.598
  576    HB3  LYS  73           2HB      LYS  73   7.343   8.335  -0.769
  577    HG2  LYS  73           1HG      LYS  73   5.398   7.099  -0.117
  578    HG3  LYS  73           2HG      LYS  73   5.346   7.874   1.467
  579    HD2  LYS  73           1HD      LYS  73   3.650   8.830  -0.068
  580    HD3  LYS  73           2HD      LYS  73   4.840  10.035   0.423
  581    HE2  LYS  73           1HE      LYS  73   5.937   9.977  -1.693
  582    HE3  LYS  73           2HE      LYS  73   5.167   8.454  -2.144
  583    HZ1  LYS  73           3HZ      LYS  73   3.911  11.119  -1.895
  584    HZ2  LYS  73           1HZ      LYS  73   3.019   9.683  -2.038
  585    HZ3  LYS  73           2HZ      LYS  73   4.063  10.163  -3.291
  586    HA   PRO  74           HA       PRO  74   8.689   8.203   5.180
  587    HB2  PRO  74           1HB      PRO  74  10.419  10.271   5.494
  588    HB3  PRO  74           2HB      PRO  74  10.981   8.661   5.021
  589    HG2  PRO  74           1HG      PRO  74  10.421  11.045   3.277
  590    HG3  PRO  74           2HG      PRO  74  11.827   9.954   3.262
  591    HD2  PRO  74           1HD      PRO  74   9.756   9.640   1.510
  592    HD3  PRO  74           2HD      PRO  74  10.674   8.260   2.148
  593    H    PHE  75           H        PHE  75   8.142   9.865   6.818
  594    HA   PHE  75           HA       PHE  75   6.041  11.646   5.791
  595    HB2  PHE  75           1HB      PHE  75   6.579  10.199   8.365
  596    HB3  PHE  75           2HB      PHE  75   5.694  11.711   8.487
  597    HD1  PHE  75           HD2      PHE  75   5.778   8.482   6.645
  598    HD2  PHE  75           HD1      PHE  75   3.341  11.742   8.026
  599    HE1  PHE  75           HE2      PHE  75   3.745   7.318   5.843
  600    HE2  PHE  75           HE1      PHE  75   1.310  10.562   7.232
  601    HZ   PHE  75           HZ       PHE  75   1.514   8.349   6.139
  602    HA   PRO  76           HA       PRO  76   8.364  15.340   6.560
  603    HB2  PRO  76           1HB      PRO  76   6.391  17.067   7.488
  604    HB3  PRO  76           2HB      PRO  76   6.576  16.606   5.784
  605    HG2  PRO  76           1HG      PRO  76   4.696  15.497   7.845
  606    HG3  PRO  76           2HG      PRO  76   4.384  15.899   6.143
  607    HD2  PRO  76           1HD      PRO  76   4.796  13.334   6.937
  608    HD3  PRO  76           2HD      PRO  76   5.365  13.917   5.357
  609    H    HIS  77           H        HIS  77   5.964  15.449   9.192
  610    HA   HIS  77           HA       HIS  77   7.865  16.344  11.111
  611    HB2  HIS  77           1HB      HIS  77   6.050  16.031  12.738
  612    HB3  HIS  77           2HB      HIS  77   5.472  16.863  11.296
  613    HD1  HIS  77           HD1      HIS  77   3.269  15.543  12.750
  614    HD2  HIS  77           HD2      HIS  77   5.628  13.410  10.071
  615    HE1  HIS  77           HE1      HIS  77   1.914  13.516  12.056
  616    HE2  HIS  77           HE2      HIS  77   3.342  12.209  10.414
  617    H    HIS  78           H        HIS  78   7.952  13.511   9.674
  618    HA   HIS  78           HA       HIS  78   9.257  12.154  11.872
  619    HB2  HIS  78           1HB      HIS  78   6.729  11.069  10.607
  620    HB3  HIS  78           2HB      HIS  78   7.848  10.102  11.565
  621    HD1  HIS  78           HD1      HIS  78   4.849  11.978  11.975
  622    HD2  HIS  78           HD2      HIS  78   8.315  11.532  14.246
  623    HE1  HIS  78           HE1      HIS  78   4.264  12.710  14.329
  624    HE2  HIS  78           HE2      HIS  78   6.368  12.444  15.725
  625    HA   PRO  79           HA       PRO  79  10.812  11.437   7.546
  626    HB2  PRO  79           1HB      PRO  79  13.410  12.255   7.915
  627    HB3  PRO  79           2HB      PRO  79  12.095  13.381   7.514
  628    HG2  PRO  79           1HG      PRO  79  13.379  12.832  10.156
  629    HG3  PRO  79           2HG      PRO  79  12.780  14.364   9.496
  630    HD2  PRO  79           1HD      PRO  79  11.393  12.810  11.344
  631    HD3  PRO  79           2HD      PRO  79  10.615  13.984  10.268
  632    H    ASN  80           H        ASN  80  11.664  10.267  10.712
  633    HA   ASN  80           HA       ASN  80  13.547   8.279   9.705
  634    HB2  ASN  80           1HB      ASN  80  12.431   9.009  12.423
  635    HB3  ASN  80           2HB      ASN  80  13.531   7.657  12.171
  636   HD21  ASN  80          2HD2      ASN  80  14.215   9.960  13.796
  637   HD22  ASN  80          1HD2      ASN  80  15.497  10.765  13.027
  638    H    GLN  81           H        GLN  81  10.361   8.507   9.315
  639    HA   GLN  81           HA       GLN  81   9.861   5.622   9.805
  640    HB2  GLN  81           1HB      GLN  81   8.199   8.002  10.607
  641    HB3  GLN  81           2HB      GLN  81   7.362   6.532  10.137
  642    HG2  GLN  81           1HG      GLN  81   7.706   6.562  12.557
  643    HG3  GLN  81           2HG      GLN  81   8.664   5.274  11.832
  644   HE21  GLN  81          2HE2      GLN  81  10.592   5.190  13.015
  645   HE22  GLN  81          1HE2      GLN  81  11.541   6.542  13.411
  646    H    ILE  82           H        ILE  82   8.583   4.635   8.324
  647    HA   ILE  82           HA       ILE  82   8.281   6.049   5.751
  648    HB   ILE  82           HB       ILE  82   8.095   3.096   5.682
  649   HG12  ILE  82          1HG1      ILE  82   9.701   3.226   7.525
  650   HG13  ILE  82          2HG1      ILE  82  10.506   2.691   6.059
  651   HG21  ILE  82          1HG2      ILE  82   9.892   5.090   4.293
  652   HG22  ILE  82          2HG2      ILE  82   8.366   4.462   3.673
  653   HG23  ILE  82          3HG2      ILE  82   9.747   3.381   3.875
  654   HD11  ILE  82          3HD1      ILE  82  11.107   4.979   7.710
  655   HD12  ILE  82          1HD1      ILE  82  10.716   5.543   6.086
  656   HD13  ILE  82          2HD1      ILE  82  11.999   4.361   6.323
  657    H    GLY  83           H        GLY  83   6.574   4.593   4.378
  658    HA2  GLY  83           1HA      GLY  83   4.377   3.390   5.150
  659    HA3  GLY  83           2HA      GLY  83   4.014   4.980   5.804
  660    H    LEU  84           H        LEU  84   2.512   3.623   3.756
  661    HA   LEU  84           HA       LEU  84   3.175   4.483   1.145
  662    HB2  LEU  84           1HB      LEU  84   0.704   3.521   2.557
  663    HB3  LEU  84           2HB      LEU  84   0.503   4.226   0.953
  664    HG   LEU  84           HG       LEU  84   2.144   2.596   0.060
  665   HD11  LEU  84          1HD1      LEU  84   2.107   1.598   2.924
  666   HD12  LEU  84          2HD1      LEU  84   3.493   2.207   2.023
  667   HD13  LEU  84          3HD1      LEU  84   2.752   0.682   1.567
  668   HD21  LEU  84          3HD2      LEU  84   0.685   0.597   0.308
  669   HD22  LEU  84          1HD2      LEU  84  -0.260   2.057   0.022
  670   HD23  LEU  84          2HD2      LEU  84  -0.147   1.383   1.647
  671    H    GLY  85           H        GLY  85   0.142   5.696   2.575
  672    HA2  GLY  85           1HA      GLY  85   0.852   8.368   2.942
  673    HA3  GLY  85           2HA      GLY  85   0.375   8.161   1.259
  674    H    VAL  86           H        VAL  86  -1.145   5.955   3.382
  675    HA   VAL  86           HA       VAL  86  -3.708   7.476   3.271
  676    HB   VAL  86           HB       VAL  86  -3.315   4.501   3.683
  677   HG11  VAL  86          1HG1      VAL  86  -5.488   5.408   4.416
  678   HG12  VAL  86          2HG1      VAL  86  -5.679   4.433   2.974
  679   HG13  VAL  86          3HG1      VAL  86  -5.694   6.190   2.849
  680   HG21  VAL  86          3HG2      VAL  86  -2.390   5.100   1.505
  681   HG22  VAL  86          1HG2      VAL  86  -3.808   6.088   1.144
  682   HG23  VAL  86          2HG2      VAL  86  -3.960   4.334   1.265
  683    H    THR  87           H        THR  87  -5.130   7.344   5.147
  684    HA   THR  87           HA       THR  87  -3.722   7.661   7.604
  685    HB   THR  87           HB       THR  87  -6.695   7.537   7.089
  686    HG1  THR  87           HG1      THR  87  -6.213   9.237   5.937
  687   HG21  THR  87          3HG2      THR  87  -6.140   7.400   9.453
  688   HG22  THR  87          1HG2      THR  87  -6.753   9.017   9.107
  689   HG23  THR  87          2HG2      THR  87  -5.020   8.755   9.304
  Start of MODEL    3
    1    H1   MET   1           1H       MET   1 -21.211 -10.108  12.628
    2    H2   MET   1           2H       MET   1 -19.896 -10.862  11.861
    3    H3   MET   1           3H       MET   1 -20.926  -9.841  10.976
    4    HA   MET   1           HA       MET   1 -20.111  -7.924  11.936
    5    HB2  MET   1           1HB      MET   1 -18.385  -8.353  13.978
    6    HB3  MET   1           2HB      MET   1 -20.116  -8.215  14.253
    7    HG2  MET   1           1HG      MET   1 -19.044 -10.207  15.367
    8    HG3  MET   1           2HG      MET   1 -20.390 -10.604  14.301
    9    HE1  MET   1           3HE      MET   1 -17.831 -13.559  14.017
   10    HE2  MET   1           1HE      MET   1 -19.301 -12.943  14.793
   11    HE3  MET   1           2HE      MET   1 -17.714 -12.456  15.386
   12    H    ASN   2           H        ASN   2 -19.266  -8.677   9.725
   13    HA   ASN   2           HA       ASN   2 -17.517  -8.903   8.252
   14    HB2  ASN   2           1HB      ASN   2 -16.026  -7.674  10.584
   15    HB3  ASN   2           2HB      ASN   2 -15.411  -7.789   8.938
   16   HD21  ASN   2          2HD2      ASN   2 -16.645  -5.522  10.898
   17   HD22  ASN   2          1HD2      ASN   2 -17.559  -4.610   9.796
   18    H    GLU   3           H        GLU   3 -17.220 -11.037   7.911
   19    HA   GLU   3           HA       GLU   3 -16.077 -12.840   9.818
   20    HB2  GLU   3           1HB      GLU   3 -15.899 -14.349   7.699
   21    HB3  GLU   3           2HB      GLU   3 -17.507 -13.870   8.240
   22    HG2  GLU   3           1HG      GLU   3 -17.666 -12.156   6.566
   23    HG3  GLU   3           2HG      GLU   3 -15.966 -12.316   6.138
   24    H    ALA   4           H        ALA   4 -14.116 -11.856  10.449
   25    HA   ALA   4           HA       ALA   4 -11.859 -11.446  10.394
   26    HB1  ALA   4           3HB      ALA   4 -11.851 -13.542   8.213
   27    HB2  ALA   4           1HB      ALA   4 -11.931 -13.909   9.937
   28    HB3  ALA   4           2HB      ALA   4 -10.511 -13.100   9.272
   29    H    LYS   5           H        LYS   5 -10.035 -10.660   9.101
   30    HA   LYS   5           HA       LYS   5  -9.129  -9.145   7.624
   31    HB2  LYS   5           1HB      LYS   5 -11.120 -10.345   5.680
   32    HB3  LYS   5           2HB      LYS   5  -9.671  -9.433   5.268
   33    HG2  LYS   5           1HG      LYS   5  -8.270 -11.154   6.366
   34    HG3  LYS   5           2HG      LYS   5  -9.717 -12.080   6.759
   35    HD2  LYS   5           1HD      LYS   5 -10.236 -12.187   4.300
   36    HD3  LYS   5           2HD      LYS   5  -8.675 -11.428   3.986
   37    HE2  LYS   5           1HE      LYS   5  -9.109 -14.070   5.417
   38    HE3  LYS   5           2HE      LYS   5  -8.492 -13.871   3.778
   39    HZ1  LYS   5           3HZ      LYS   5  -6.510 -13.893   4.782
   40    HZ2  LYS   5           1HZ      LYS   5  -7.148 -13.523   6.309
   41    HZ3  LYS   5           2HZ      LYS   5  -6.855 -12.278   5.188
   42    H    GLY   6           H        GLY   6 -10.324  -7.773   5.461
   43    HA2  GLY   6           1HA      GLY   6 -12.163  -6.295   4.977
   44    HA3  GLY   6           2HA      GLY   6 -12.508  -6.187   6.699
   45    H    VAL   7           H        VAL   7  -9.638  -5.634   4.577
   46    HA   VAL   7           HA       VAL   7  -8.982  -3.221   6.164
   47    HB   VAL   7           HB       VAL   7  -7.403  -4.579   3.957
   48   HG11  VAL   7          1HG1      VAL   7  -5.529  -3.285   4.986
   49   HG12  VAL   7          2HG1      VAL   7  -6.692  -2.506   6.058
   50   HG13  VAL   7          3HG1      VAL   7  -6.785  -2.244   4.317
   51   HG21  VAL   7          3HG2      VAL   7  -7.265  -4.863   6.978
   52   HG22  VAL   7          1HG2      VAL   7  -6.045  -5.487   5.866
   53   HG23  VAL   7          2HG2      VAL   7  -7.688  -6.128   5.825
   54    H    TYR   8           H        TYR   8  -9.438  -1.242   5.365
   55    HA   TYR   8           HA       TYR   8 -10.136  -0.968   2.474
   56    HB2  TYR   8           1HB      TYR   8 -11.479   0.239   4.913
   57    HB3  TYR   8           2HB      TYR   8 -11.810   0.742   3.255
   58    HD1  TYR   8           HD1      TYR   8 -11.693  -2.297   5.437
   59    HD2  TYR   8           HD2      TYR   8 -13.470  -0.433   1.998
   60    HE1  TYR   8           HE1      TYR   8 -13.249  -4.216   5.212
   61    HE2  TYR   8           HE2      TYR   8 -15.038  -2.339   1.781
   62    HH   TYR   8           HH       TYR   8 -15.207  -4.662   2.427
   63    H    VAL   9           H        VAL   9  -9.071   0.605   1.412
   64    HA   VAL   9           HA       VAL   9  -6.894   1.956   2.283
   65    HB   VAL   9           HB       VAL   9  -8.937   2.986   0.286
   66   HG11  VAL   9          1HG1      VAL   9  -6.001   3.587   0.749
   67   HG12  VAL   9          2HG1      VAL   9  -7.339   4.731   0.624
   68   HG13  VAL   9          3HG1      VAL   9  -6.780   3.874  -0.808
   69   HG21  VAL   9          3HG2      VAL   9  -8.333   0.702  -0.250
   70   HG22  VAL   9          1HG2      VAL   9  -6.626   1.036   0.018
   71   HG23  VAL   9          2HG2      VAL   9  -7.467   1.761  -1.344
   72    H    MET  10           H        MET  10  -6.716   4.487   2.461
   73    HA   MET  10           HA       MET  10  -8.504   5.287   4.646
   74    HB2  MET  10           1HB      MET  10  -5.961   5.306   4.833
   75    HB3  MET  10           2HB      MET  10  -5.990   6.650   3.695
   76    HG2  MET  10           1HG      MET  10  -5.925   7.552   5.883
   77    HG3  MET  10           2HG      MET  10  -7.531   7.838   5.237
   78    HE1  MET  10           3HE      MET  10  -5.651   6.748   8.316
   79    HE2  MET  10           1HE      MET  10  -5.327   5.407   7.205
   80    HE3  MET  10           2HE      MET  10  -6.247   5.132   8.682
   81    H    SER  11           H        SER  11  -6.838   6.999   1.939
   82    HA   SER  11           HA       SER  11  -9.407   8.195   1.112
   83    HB2  SER  11           1HB      SER  11  -7.159   9.905   2.204
   84    HB3  SER  11           2HB      SER  11  -8.637  10.502   1.453
   85    HG   SER  11           HG       SER  11  -9.772   9.330   3.129
   86    H    VAL  12           H        VAL  12  -8.957   9.897  -0.706
   87    HA   VAL  12           HA       VAL  12  -6.736   8.916  -2.421
   88    HB   VAL  12           HB       VAL  12  -9.373  10.104  -3.313
   89   HG11  VAL  12          1HG1      VAL  12  -7.471  10.252  -4.896
   90   HG12  VAL  12          2HG1      VAL  12  -8.723   9.162  -5.484
   91   HG13  VAL  12          3HG1      VAL  12  -7.247   8.505  -4.776
   92   HG21  VAL  12          3HG2      VAL  12  -9.826   8.007  -2.139
   93   HG22  VAL  12          1HG2      VAL  12  -8.558   7.200  -3.062
   94   HG23  VAL  12          2HG2      VAL  12 -10.017   7.776  -3.874
   95    H    LEU  13           H        LEU  13  -5.231  10.498  -2.025
   96    HA   LEU  13           HA       LEU  13  -6.059  13.303  -2.107
   97    HB2  LEU  13           1HB      LEU  13  -3.769  11.830  -0.944
   98    HB3  LEU  13           2HB      LEU  13  -3.457  13.471  -1.482
   99    HG   LEU  13           HG       LEU  13  -5.355  14.280  -0.112
  100   HD11  LEU  13          1HD1      LEU  13  -6.815  12.380  -0.081
  101   HD12  LEU  13          2HD1      LEU  13  -6.290  12.606   1.581
  102   HD13  LEU  13          3HD1      LEU  13  -5.566  11.337   0.594
  103   HD21  LEU  13          3HD2      LEU  13  -3.140  14.292   0.888
  104   HD22  LEU  13          1HD2      LEU  13  -3.307  12.602   1.362
  105   HD23  LEU  13          2HD2      LEU  13  -4.322  13.832   2.113
  106    HA   PRO  14           HA       PRO  14  -4.685  13.334  -6.468
  107    HB2  PRO  14           1HB      PRO  14  -4.917  16.302  -5.967
  108    HB3  PRO  14           2HB      PRO  14  -5.574  15.336  -7.305
  109    HG2  PRO  14           1HG      PRO  14  -7.161  16.209  -5.364
  110    HG3  PRO  14           2HG      PRO  14  -7.370  14.579  -6.038
  111    HD2  PRO  14           1HD      PRO  14  -6.123  15.385  -3.417
  112    HD3  PRO  14           2HD      PRO  14  -7.159  13.988  -3.819
  113    H    ASN  15           H        ASN  15  -2.654  12.926  -4.631
  114    HA   ASN  15           HA       ASN  15  -0.413  14.169  -5.847
  115    HB2  ASN  15           1HB      ASN  15  -1.176  16.028  -4.355
  116    HB3  ASN  15           2HB      ASN  15  -0.948  14.957  -2.971
  117   HD21  ASN  15          2HD2      ASN  15   0.920  15.817  -1.978
  118   HD22  ASN  15          1HD2      ASN  15   2.398  16.048  -2.783
  119    H    MET  16           H        MET  16  -1.783  11.616  -4.425
  120    HA   MET  16           HA       MET  16   0.655  10.657  -3.056
  121    HB2  MET  16           1HB      MET  16  -2.284  10.003  -2.805
  122    HB3  MET  16           2HB      MET  16  -1.094   8.853  -2.229
  123    HG2  MET  16           1HG      MET  16  -1.164  11.767  -1.384
  124    HG3  MET  16           2HG      MET  16  -1.907  10.464  -0.465
  125    HE1  MET  16           3HE      MET  16   1.244  11.606   1.523
  126    HE2  MET  16           1HE      MET  16  -0.383  10.958   1.780
  127    HE3  MET  16           2HE      MET  16  -0.145  12.372   0.757
  128    HA   PRO  17           HA       PRO  17   1.588   7.809  -6.242
  129    HB2  PRO  17           1HB      PRO  17   2.209   5.481  -4.801
  130    HB3  PRO  17           2HB      PRO  17   3.298   6.859  -5.038
  131    HG2  PRO  17           1HG      PRO  17   1.565   6.200  -2.684
  132    HG3  PRO  17           2HG      PRO  17   3.215   6.851  -2.715
  133    HD2  PRO  17           1HD      PRO  17   1.107   8.450  -2.240
  134    HD3  PRO  17           2HD      PRO  17   2.489   9.030  -3.160
  135    H    ALA  18           H        ALA  18  -0.942   6.897  -3.981
  136    HA   ALA  18           HA       ALA  18  -1.905   4.689  -5.653
  137    HB1  ALA  18           3HB      ALA  18  -2.200   5.614  -2.884
  138    HB2  ALA  18           1HB      ALA  18  -2.522   4.014  -3.549
  139    HB3  ALA  18           2HB      ALA  18  -3.777   5.251  -3.584
  140    H    ALA  19           H        ALA  19  -2.266   7.979  -5.465
  141    HA   ALA  19           HA       ALA  19  -4.994   8.393  -6.146
  142    HB1  ALA  19           3HB      ALA  19  -4.326  10.576  -7.066
  143    HB2  ALA  19           1HB      ALA  19  -2.630  10.106  -6.947
  144    HB3  ALA  19           2HB      ALA  19  -3.602  10.286  -5.486
  145    H    GLY  20           H        GLY  20  -6.029   7.506  -7.814
  146    HA2  GLY  20           1HA      GLY  20  -6.531   7.393 -10.133
  147    HA3  GLY  20           2HA      GLY  20  -4.824   7.593 -10.513
  148    H    ARG  21           H        ARG  21  -4.566   5.507  -8.120
  149    HA   ARG  21           HA       ARG  21  -4.857   3.082  -9.840
  150    HB2  ARG  21           1HB      ARG  21  -2.906   3.700  -7.606
  151    HB3  ARG  21           2HB      ARG  21  -3.037   2.148  -8.430
  152    HG2  ARG  21           1HG      ARG  21  -2.518   3.233 -10.578
  153    HG3  ARG  21           2HG      ARG  21  -2.392   4.793  -9.762
  154    HD2  ARG  21           1HD      ARG  21  -0.572   3.888  -8.345
  155    HD3  ARG  21           2HD      ARG  21  -0.670   2.355  -9.212
  156    HE   ARG  21           HE       ARG  21   0.508   4.843 -10.178
  157   HH11  ARG  21          1HH2      ARG  21  -0.790   1.728 -10.969
  158   HH12  ARG  21          2HH2      ARG  21   0.056   1.608 -12.475
  159   HH21  ARG  21          1HH1      ARG  21   1.620   4.686 -12.146
  160   HH22  ARG  21          2HH1      ARG  21   1.423   3.285 -13.141
  161    H    LEU  22           H        LEU  22  -5.258   4.447  -6.653
  162    HA   LEU  22           HA       LEU  22  -7.057   2.216  -5.894
  163    HB2  LEU  22           1HB      LEU  22  -4.683   3.233  -4.495
  164    HB3  LEU  22           2HB      LEU  22  -6.094   3.307  -3.454
  165    HG   LEU  22           HG       LEU  22  -4.952   1.171  -3.182
  166   HD11  LEU  22          1HD1      LEU  22  -6.918   0.059  -2.929
  167   HD12  LEU  22          2HD1      LEU  22  -7.275   0.087  -4.652
  168   HD13  LEU  22          3HD1      LEU  22  -7.699   1.464  -3.649
  169   HD21  LEU  22          3HD2      LEU  22  -4.438  -0.317  -4.930
  170   HD22  LEU  22          1HD2      LEU  22  -4.072   1.247  -5.647
  171   HD23  LEU  22          2HD2      LEU  22  -5.578   0.428  -6.038
  172    H    GLU  23           H        GLU  23  -8.853   2.638  -4.653
  173    HA   GLU  23           HA       GLU  23  -9.593   5.474  -4.308
  174    HB2  GLU  23           1HB      GLU  23 -11.053   3.378  -5.925
  175    HB3  GLU  23           2HB      GLU  23 -11.891   4.780  -5.264
  176    HG2  GLU  23           1HG      GLU  23  -9.423   4.985  -7.021
  177    HG3  GLU  23           2HG      GLU  23 -11.060   5.047  -7.652
  178    H    ALA  24           H        ALA  24 -11.266   5.819  -2.886
  179    HA   ALA  24           HA       ALA  24 -11.231   4.259  -0.538
  180    HB1  ALA  24           3HB      ALA  24 -11.819   6.678  -0.588
  181    HB2  ALA  24           1HB      ALA  24 -13.039   5.707   0.241
  182    HB3  ALA  24           2HB      ALA  24 -13.329   6.267  -1.406
  183    H    GLY  25           H        GLY  25 -12.402   2.497   0.061
  184    HA2  GLY  25           1HA      GLY  25 -14.523   1.314   0.115
  185    HA3  GLY  25           2HA      GLY  25 -14.739   1.687  -1.592
  186    H    ASP  26           H        ASP  26 -11.766   1.209  -2.019
  187    HA   ASP  26           HA       ASP  26 -11.970  -1.644  -2.591
  188    HB2  ASP  26           1HB      ASP  26  -9.716   0.354  -3.004
  189    HB3  ASP  26           2HB      ASP  26  -9.643  -1.304  -3.504
  190    H    ARG  27           H        ARG  27 -10.546  -3.258  -1.813
  191    HA   ARG  27           HA       ARG  27  -9.210  -2.662   0.770
  192    HB2  ARG  27           1HB      ARG  27  -9.794  -5.001   1.437
  193    HB3  ARG  27           2HB      ARG  27 -11.191  -3.940   1.279
  194    HG2  ARG  27           1HG      ARG  27 -11.789  -4.896  -0.836
  195    HG3  ARG  27           2HG      ARG  27 -10.253  -5.753  -0.963
  196    HD2  ARG  27           1HD      ARG  27 -10.824  -7.205   0.880
  197    HD3  ARG  27           2HD      ARG  27 -12.274  -6.275   1.248
  198    HE   ARG  27           HE       ARG  27 -12.555  -7.078  -1.394
  199   HH11  ARG  27          1HH2      ARG  27 -12.059  -8.584   1.678
  200   HH12  ARG  27          2HH2      ARG  27 -12.908 -10.033   1.259
  201   HH21  ARG  27          1HH1      ARG  27 -13.663  -8.968  -1.955
  202   HH22  ARG  27          2HH1      ARG  27 -13.820 -10.251  -0.805
  203    H    ILE  28           H        ILE  28  -7.533  -4.276   1.353
  204    HA   ILE  28           HA       ILE  28  -5.909  -4.873  -1.061
  205    HB   ILE  28           HB       ILE  28  -4.982  -4.965   1.824
  206   HG12  ILE  28          1HG1      ILE  28  -5.912  -2.750   1.500
  207   HG13  ILE  28          2HG1      ILE  28  -4.157  -2.634   1.440
  208   HG21  ILE  28          1HG2      ILE  28  -2.791  -4.527   0.759
  209   HG22  ILE  28          2HG2      ILE  28  -3.563  -4.536  -0.828
  210   HG23  ILE  28          3HG2      ILE  28  -3.521  -6.009   0.142
  211   HD11  ILE  28          3HD1      ILE  28  -4.913  -1.308  -0.377
  212   HD12  ILE  28          1HD1      ILE  28  -6.123  -2.494  -0.852
  213   HD13  ILE  28          2HD1      ILE  28  -4.413  -2.816  -1.133
  214    H    ALA  29           H        ALA  29  -5.779  -6.855  -1.778
  215    HA   ALA  29           HA       ALA  29  -6.623  -9.124  -0.049
  216    HB1  ALA  29           3HB      ALA  29  -6.296  -8.817  -3.041
  217    HB2  ALA  29           1HB      ALA  29  -7.789  -9.052  -2.134
  218    HB3  ALA  29           2HB      ALA  29  -6.622 -10.367  -2.259
  219    H    ALA  30           H        ALA  30  -3.862  -7.713  -1.562
  220    HA   ALA  30           HA       ALA  30  -2.054  -9.419  -0.186
  221    HB1  ALA  30           3HB      ALA  30  -2.401  -9.982  -3.129
  222    HB2  ALA  30           1HB      ALA  30  -2.639 -11.105  -1.791
  223    HB3  ALA  30           2HB      ALA  30  -1.017 -10.524  -2.175
  224    H    ILE  31           H        ILE  31   0.158  -8.981  -0.614
  225    HA   ILE  31           HA       ILE  31   0.742  -6.555  -2.207
  226    HB   ILE  31           HB       ILE  31   1.571  -6.900   0.684
  227   HG12  ILE  31          1HG1      ILE  31  -0.110  -4.786  -0.683
  228   HG13  ILE  31          2HG1      ILE  31  -0.768  -6.106   0.275
  229   HG21  ILE  31          1HG2      ILE  31   2.595  -4.596   0.297
  230   HG22  ILE  31          2HG2      ILE  31   2.337  -4.853  -1.421
  231   HG23  ILE  31          3HG2      ILE  31   3.424  -5.911  -0.527
  232   HD11  ILE  31          3HD1      ILE  31  -0.653  -4.224   1.752
  233   HD12  ILE  31          1HD1      ILE  31   0.980  -3.830   1.225
  234   HD13  ILE  31          2HD1      ILE  31   0.692  -5.269   2.195
  235    H    ASP  32           H        ASP  32   2.343  -6.928  -3.522
  236    HA   ASP  32           HA       ASP  32   4.142  -7.933  -4.528
  237    HB2  ASP  32           1HB      ASP  32   5.178  -6.625  -2.658
  238    HB3  ASP  32           2HB      ASP  32   5.190  -8.099  -1.695
  239    H    GLY  33           H        GLY  33   1.943  -9.678  -3.404
  240    HA2  GLY  33           1HA      GLY  33   1.667 -11.977  -3.956
  241    HA3  GLY  33           2HA      GLY  33   3.378 -12.255  -3.656
  242    H    GLN  34           H        GLN  34   2.556 -10.353  -1.183
  243    HA   GLN  34           HA       GLN  34   2.282 -12.605   0.628
  244    HB2  GLN  34           1HB      GLN  34   2.567  -9.687   1.314
  245    HB3  GLN  34           2HB      GLN  34   2.778 -11.059   2.405
  246    HG2  GLN  34           1HG      GLN  34   4.458 -10.502  -0.061
  247    HG3  GLN  34           2HG      GLN  34   4.958 -10.207   1.602
  248   HE21  GLN  34          2HE2      GLN  34   5.630 -12.317  -0.737
  249   HE22  GLN  34          1HE2      GLN  34   5.770 -13.760   0.146
  250    HA   PRO  35           HA       PRO  35  -2.168 -11.709   0.869
  251    HB2  PRO  35           1HB      PRO  35  -2.928 -13.748   2.532
  252    HB3  PRO  35           2HB      PRO  35  -2.506 -14.023   0.830
  253    HG2  PRO  35           1HG      PRO  35  -0.833 -14.444   3.283
  254    HG3  PRO  35           2HG      PRO  35  -1.002 -15.475   1.849
  255    HD2  PRO  35           1HD      PRO  35   1.119 -13.760   2.226
  256    HD3  PRO  35           2HD      PRO  35   0.533 -14.231   0.609
  257    H    ILE  36           H        ILE  36  -3.205 -10.280   2.139
  258    HA   ILE  36           HA       ILE  36  -2.089  -9.660   4.805
  259    HB   ILE  36           HB       ILE  36  -4.073  -8.066   3.182
  260   HG12  ILE  36          1HG1      ILE  36  -2.103  -8.287   1.828
  261   HG13  ILE  36          2HG1      ILE  36  -2.066  -6.689   2.540
  262   HG21  ILE  36          1HG2      ILE  36  -3.977  -7.481   5.566
  263   HG22  ILE  36          2HG2      ILE  36  -3.249  -6.204   4.601
  264   HG23  ILE  36          3HG2      ILE  36  -2.222  -7.340   5.477
  265   HD11  ILE  36          3HD1      ILE  36   0.132  -7.452   2.860
  266   HD12  ILE  36          1HD1      ILE  36  -0.382  -9.096   3.196
  267   HD13  ILE  36          2HD1      ILE  36  -0.610  -7.841   4.407
  268    H    ASN  37           H        ASN  37  -2.961 -10.639   6.361
  269    HA   ASN  37           HA       ASN  37  -5.910 -11.026   6.548
  270    HB2  ASN  37           1HB      ASN  37  -5.407 -12.778   8.222
  271    HB3  ASN  37           2HB      ASN  37  -4.718 -13.131   6.641
  272   HD21  ASN  37          2HD2      ASN  37  -3.474 -14.511   8.559
  273   HD22  ASN  37          1HD2      ASN  37  -1.996 -13.814   9.012
  274    H    THR  38           H        THR  38  -3.266  -9.334   7.914
  275    HA   THR  38           HA       THR  38  -5.040  -8.230  10.015
  276    HB   THR  38           HB       THR  38  -3.335  -8.396  11.708
  277    HG1  THR  38           HG1      THR  38  -1.731  -9.898   9.961
  278   HG21  THR  38          3HG2      THR  38  -3.557 -11.069  10.315
  279   HG22  THR  38          1HG2      THR  38  -4.812 -10.373  11.339
  280   HG23  THR  38          2HG2      THR  38  -3.243 -10.795  12.027
  281    H    SER  39           H        SER  39  -4.422  -6.169  10.770
  282    HA   SER  39           HA       SER  39  -3.295  -4.468   8.771
  283    HB2  SER  39           1HB      SER  39  -5.046  -3.756  10.412
  284    HB3  SER  39           2HB      SER  39  -3.835  -3.849  11.688
  285    HG   SER  39           HG       SER  39  -4.114  -2.036   9.590
  286    H    GLU  40           H        GLU  40  -2.085  -6.192  11.523
  287    HA   GLU  40           HA       GLU  40   0.306  -4.714  11.964
  288    HB2  GLU  40           1HB      GLU  40  -0.439  -7.593  12.565
  289    HB3  GLU  40           2HB      GLU  40   1.065  -6.841  13.101
  290    HG2  GLU  40           1HG      GLU  40  -0.501  -6.663  14.914
  291    HG3  GLU  40           2HG      GLU  40  -0.324  -5.053  14.225
  292    H    GLN  41           H        GLN  41  -0.576  -7.302   9.751
  293    HA   GLN  41           HA       GLN  41   2.015  -8.093   9.001
  294    HB2  GLN  41           1HB      GLN  41  -0.142  -9.258   8.403
  295    HB3  GLN  41           2HB      GLN  41  -0.430  -7.994   7.211
  296    HG2  GLN  41           1HG      GLN  41   0.593  -9.850   6.063
  297    HG3  GLN  41           2HG      GLN  41   1.802  -8.578   6.174
  298   HE21  GLN  41          2HE2      GLN  41   0.930 -11.796   7.321
  299   HE22  GLN  41          1HE2      GLN  41   2.396 -12.105   8.119
  300    H    ILE  42           H        ILE  42   0.063  -5.306   8.147
  301    HA   ILE  42           HA       ILE  42   1.704  -4.483   5.921
  302    HB   ILE  42           HB       ILE  42  -0.332  -2.931   7.544
  303   HG12  ILE  42          1HG1      ILE  42  -1.338  -4.947   6.546
  304   HG13  ILE  42          2HG1      ILE  42  -1.903  -3.503   5.711
  305   HG21  ILE  42          1HG2      ILE  42  -0.457  -1.550   5.452
  306   HG22  ILE  42          2HG2      ILE  42   0.932  -2.444   4.836
  307   HG23  ILE  42          3HG2      ILE  42   1.097  -1.443   6.277
  308   HD11  ILE  42          3HD1      ILE  42   0.116  -4.008   4.071
  309   HD12  ILE  42          1HD1      ILE  42  -1.384  -4.908   3.930
  310   HD13  ILE  42          2HD1      ILE  42  -0.008  -5.621   4.750
  311    H    VAL  43           H        VAL  43   1.705  -4.042   9.364
  312    HA   VAL  43           HA       VAL  43   3.329  -1.683   9.415
  313    HB   VAL  43           HB       VAL  43   2.852  -3.807  11.517
  314   HG11  VAL  43          1HG1      VAL  43   4.081  -1.039  11.655
  315   HG12  VAL  43          2HG1      VAL  43   4.841  -2.568  12.096
  316   HG13  VAL  43          3HG1      VAL  43   3.526  -1.923  13.075
  317   HG21  VAL  43          3HG2      VAL  43   1.568  -1.088  11.116
  318   HG22  VAL  43          1HG2      VAL  43   1.169  -2.257  12.373
  319   HG23  VAL  43          2HG2      VAL  43   0.814  -2.621  10.687
  320    H    SER  44           H        SER  44   3.958  -5.174   9.707
  321    HA   SER  44           HA       SER  44   6.774  -4.886  10.114
  322    HB2  SER  44           1HB      SER  44   6.864  -7.297   9.603
  323    HB3  SER  44           2HB      SER  44   5.602  -6.923  10.772
  324    HG   SER  44           HG       SER  44   5.295  -7.331   7.979
  325    H    TYR  45           H        TYR  45   4.745  -5.490   7.300
  326    HA   TYR  45           HA       TYR  45   6.767  -5.934   5.401
  327    HB2  TYR  45           1HB      TYR  45   4.350  -6.353   5.046
  328    HB3  TYR  45           2HB      TYR  45   4.079  -4.615   4.962
  329    HD1  TYR  45           HD2      TYR  45   6.220  -7.305   3.465
  330    HD2  TYR  45           HD1      TYR  45   4.198  -3.563   2.833
  331    HE1  TYR  45           HE2      TYR  45   6.824  -7.383   1.061
  332    HE2  TYR  45           HE1      TYR  45   4.795  -3.653   0.437
  333    HH   TYR  45           HH       TYR  45   7.117  -5.759  -0.816
  334    H    VAL  46           H        VAL  46   5.077  -2.865   6.132
  335    HA   VAL  46           HA       VAL  46   6.538  -1.212   4.417
  336    HB   VAL  46           HB       VAL  46   5.242  -0.649   7.103
  337   HG11  VAL  46          1HG1      VAL  46   6.589   1.261   5.174
  338   HG12  VAL  46          2HG1      VAL  46   6.884   1.085   6.902
  339   HG13  VAL  46          3HG1      VAL  46   5.376   1.796   6.337
  340   HG21  VAL  46          3HG2      VAL  46   3.475   0.323   5.755
  341   HG22  VAL  46          1HG2      VAL  46   3.813  -1.290   5.130
  342   HG23  VAL  46          2HG2      VAL  46   4.429   0.128   4.285
  343    H    ARG  47           H        ARG  47   7.310  -2.273   7.718
  344    HA   ARG  47           HA       ARG  47   9.627  -0.688   8.045
  345    HB2  ARG  47           1HB      ARG  47   8.734  -3.291   9.303
  346    HB3  ARG  47           2HB      ARG  47  10.232  -2.486   9.773
  347    HG2  ARG  47           1HG      ARG  47   9.007  -0.480  10.414
  348    HG3  ARG  47           2HG      ARG  47   7.495  -1.175   9.836
  349    HD2  ARG  47           1HD      ARG  47   7.637  -1.434  12.263
  350    HD3  ARG  47           2HD      ARG  47   7.747  -3.012  11.495
  351    HE   ARG  47           HE       ARG  47   9.970  -3.175  12.188
  352   HH11  ARG  47          1HH2      ARG  47   8.713   0.013  12.686
  353   HH12  ARG  47          2HH2      ARG  47  10.088   0.564  13.582
  354   HH21  ARG  47          1HH1      ARG  47  11.779  -2.456  13.348
  355   HH22  ARG  47          2HH1      ARG  47  11.827  -0.836  13.956
  356    H    GLU  48           H        GLU  48   9.187  -3.934   6.627
  357    HA   GLU  48           HA       GLU  48  11.876  -4.666   6.397
  358    HB2  GLU  48           1HB      GLU  48   9.544  -5.221   4.543
  359    HB3  GLU  48           2HB      GLU  48  11.127  -5.955   4.333
  360    HG2  GLU  48           1HG      GLU  48  10.985  -7.007   6.514
  361    HG3  GLU  48           2HG      GLU  48   9.476  -6.181   6.858
  362    H    LYS  49           H        LYS  49   9.862  -2.987   3.982
  363    HA   LYS  49           HA       LYS  49  12.160  -2.325   2.338
  364    HB2  LYS  49           1HB      LYS  49   9.338  -1.258   2.068
  365    HB3  LYS  49           2HB      LYS  49  10.563  -1.370   0.839
  366    HG2  LYS  49           1HG      LYS  49   9.444  -3.833   2.207
  367    HG3  LYS  49           2HG      LYS  49   8.751  -3.165   0.743
  368    HD2  LYS  49           1HD      LYS  49  10.917  -3.422  -0.409
  369    HD3  LYS  49           2HD      LYS  49  11.610  -4.119   1.052
  370    HE2  LYS  49           1HE      LYS  49  10.009  -5.966   0.969
  371    HE3  LYS  49           2HE      LYS  49   9.265  -5.269  -0.472
  372    HZ1  LYS  49           3HZ      LYS  49  10.913  -7.018  -0.968
  373    HZ2  LYS  49           1HZ      LYS  49  12.120  -6.053  -0.271
  374    HZ3  LYS  49           2HZ      LYS  49  11.306  -5.520  -1.663
  375    H    GLN  50           H        GLN  50  13.020  -0.309   1.974
  376    HA   GLN  50           HA       GLN  50  12.671   1.614   4.172
  377    HB2  GLN  50           1HB      GLN  50  14.816   2.527   3.451
  378    HB3  GLN  50           2HB      GLN  50  14.947   0.787   3.690
  379    HG2  GLN  50           1HG      GLN  50  14.595   0.477   1.225
  380    HG3  GLN  50           2HG      GLN  50  14.645   2.230   1.038
  381   HE21  GLN  50          2HE2      GLN  50  16.709   3.276   1.143
  382   HE22  GLN  50          1HE2      GLN  50  18.165   2.417   1.291
  383    H    ALA  51           H        ALA  51  13.217   3.945   3.410
  384    HA   ALA  51           HA       ALA  51  11.009   4.849   1.882
  385    HB1  ALA  51           3HB      ALA  51  13.546   6.285   2.707
  386    HB2  ALA  51           1HB      ALA  51  12.016   6.269   3.586
  387    HB3  ALA  51           2HB      ALA  51  12.127   7.073   2.019
  388    H    GLY  52           H        GLY  52  10.796   5.349  -0.254
  389    HA2  GLY  52           1HA      GLY  52  11.525   5.947  -2.419
  390    HA3  GLY  52           2HA      GLY  52  13.167   5.468  -2.001
  391    H    ASP  53           H        ASP  53  11.322   3.075  -0.802
  392    HA   ASP  53           HA       ASP  53  12.032   1.227  -2.891
  393    HB2  ASP  53           1HB      ASP  53  11.989   0.592  -0.491
  394    HB3  ASP  53           2HB      ASP  53  10.241   0.746  -0.494
  395    H    ARG  54           H        ARG  54  10.353  -0.384  -3.662
  396    HA   ARG  54           HA       ARG  54   7.752   0.845  -4.325
  397    HB2  ARG  54           1HB      ARG  54   8.083  -0.005  -6.704
  398    HB3  ARG  54           2HB      ARG  54   9.043   1.405  -6.259
  399    HG2  ARG  54           1HG      ARG  54  10.973  -0.049  -5.783
  400    HG3  ARG  54           2HG      ARG  54  10.019  -1.465  -6.224
  401    HD2  ARG  54           1HD      ARG  54   9.724  -0.565  -8.494
  402    HD3  ARG  54           2HD      ARG  54  10.660   0.861  -8.046
  403    HE   ARG  54           HE       ARG  54  12.618  -0.411  -8.170
  404   HH11  ARG  54          1HH2      ARG  54   9.804  -2.432  -8.295
  405   HH12  ARG  54          2HH2      ARG  54  10.680  -3.856  -8.743
  406   HH21  ARG  54          1HH1      ARG  54  13.768  -2.280  -8.754
  407   HH22  ARG  54          2HH1      ARG  54  12.923  -3.770  -9.002
  408    H    VAL  55           H        VAL  55   6.128  -0.513  -4.155
  409    HA   VAL  55           HA       VAL  55   6.626  -3.439  -4.263
  410    HB   VAL  55           HB       VAL  55   5.039  -3.635  -2.271
  411   HG11  VAL  55          1HG1      VAL  55   6.845  -3.155  -0.648
  412   HG12  VAL  55          2HG1      VAL  55   7.710  -2.259  -1.890
  413   HG13  VAL  55          3HG1      VAL  55   7.456  -3.993  -2.073
  414   HG21  VAL  55          3HG2      VAL  55   4.884  -1.645  -0.827
  415   HG22  VAL  55          1HG2      VAL  55   4.160  -1.320  -2.398
  416   HG23  VAL  55          2HG2      VAL  55   5.766  -0.695  -2.016
  417    H    ARG  56           H        ARG  56   5.268  -4.517  -5.334
  418    HA   ARG  56           HA       ARG  56   3.044  -3.316  -6.753
  419    HB2  ARG  56           1HB      ARG  56   3.755  -6.263  -6.562
  420    HB3  ARG  56           2HB      ARG  56   2.820  -5.466  -7.824
  421    HG2  ARG  56           1HG      ARG  56   5.756  -4.960  -7.227
  422    HG3  ARG  56           2HG      ARG  56   5.142  -5.936  -8.556
  423    HD2  ARG  56           1HD      ARG  56   3.831  -3.834  -9.283
  424    HD3  ARG  56           2HD      ARG  56   4.866  -2.954  -8.157
  425    HE   ARG  56           HE       ARG  56   6.632  -3.197  -9.634
  426   HH11  ARG  56          1HH2      ARG  56   4.060  -5.378 -10.419
  427   HH12  ARG  56          2HH2      ARG  56   4.748  -5.864 -11.931
  428   HH21  ARG  56          1HH1      ARG  56   7.534  -3.821 -11.617
  429   HH22  ARG  56          2HH1      ARG  56   6.719  -4.980 -12.611
  430    H    VAL  57           H        VAL  57   1.271  -2.832  -5.645
  431    HA   VAL  57           HA       VAL  57   0.352  -4.611  -3.469
  432    HB   VAL  57           HB       VAL  57  -0.375  -1.779  -4.260
  433   HG11  VAL  57          1HG1      VAL  57  -1.666  -1.875  -2.020
  434   HG12  VAL  57          2HG1      VAL  57  -1.568  -3.629  -2.170
  435   HG13  VAL  57          3HG1      VAL  57  -2.410  -2.688  -3.398
  436   HG21  VAL  57          3HG2      VAL  57   1.822  -2.165  -3.120
  437   HG22  VAL  57          1HG2      VAL  57   0.958  -2.909  -1.774
  438   HG23  VAL  57          2HG2      VAL  57   0.707  -1.203  -2.148
  439    H    THR  58           H        THR  58  -1.539  -5.697  -3.530
  440    HA   THR  58           HA       THR  58  -3.089  -5.650  -6.072
  441    HB   THR  58           HB       THR  58  -2.976  -7.805  -3.945
  442    HG1  THR  58           HG1      THR  58  -1.016  -7.799  -4.893
  443   HG21  THR  58          3HG2      THR  58  -4.146  -7.690  -6.732
  444   HG22  THR  58          1HG2      THR  58  -5.026  -7.882  -5.216
  445   HG23  THR  58          2HG2      THR  58  -3.970  -9.172  -5.793
  446    H    PHE  59           H        PHE  59  -5.305  -5.301  -6.004
  447    HA   PHE  59           HA       PHE  59  -6.671  -5.211  -3.406
  448    HB2  PHE  59           1HB      PHE  59  -7.424  -2.964  -3.578
  449    HB3  PHE  59           2HB      PHE  59  -5.695  -2.884  -3.826
  450    HD1  PHE  59           HD2      PHE  59  -4.739  -2.445  -6.076
  451    HD2  PHE  59           HD1      PHE  59  -8.994  -2.556  -5.434
  452    HE1  PHE  59           HE2      PHE  59  -5.114  -1.363  -8.279
  453    HE2  PHE  59           HE1      PHE  59  -9.351  -1.472  -7.620
  454    HZ   PHE  59           HZ       PHE  59  -7.416  -0.870  -9.047
  455    H    ILE  60           H        ILE  60  -8.981  -5.303  -3.626
  456    HA   ILE  60           HA       ILE  60  -9.896  -6.228  -6.279
  457    HB   ILE  60           HB       ILE  60 -10.565  -6.996  -3.458
  458   HG12  ILE  60          1HG1      ILE  60 -10.451  -9.253  -4.397
  459   HG13  ILE  60          2HG1      ILE  60 -10.378  -8.605  -6.041
  460   HG21  ILE  60          1HG2      ILE  60 -12.791  -6.455  -4.173
  461   HG22  ILE  60          2HG2      ILE  60 -12.641  -8.196  -4.393
  462   HG23  ILE  60          3HG2      ILE  60 -12.513  -7.114  -5.784
  463   HD11  ILE  60          3HD1      ILE  60  -8.288  -7.748  -4.037
  464   HD12  ILE  60          1HD1      ILE  60  -8.178  -7.876  -5.793
  465   HD13  ILE  60          2HD1      ILE  60  -8.157  -9.330  -4.800
  466    H    ARG  61           H        ARG  61 -11.479  -5.355  -7.337
  467    HA   ARG  61           HA       ARG  61 -13.289  -3.436  -6.041
  468    HB2  ARG  61           1HB      ARG  61 -11.573  -1.996  -6.912
  469    HB3  ARG  61           2HB      ARG  61 -11.539  -2.852  -8.442
  470    HG2  ARG  61           1HG      ARG  61 -13.740  -2.046  -9.035
  471    HG3  ARG  61           2HG      ARG  61 -14.000  -1.408  -7.408
  472    HD2  ARG  61           1HD      ARG  61 -11.764  -0.435  -9.208
  473    HD3  ARG  61           2HD      ARG  61 -13.361   0.314  -9.176
  474    HE   ARG  61           HE       ARG  61 -11.314   0.566  -7.161
  475   HH11  ARG  61          1HH2      ARG  61 -14.716   0.517  -7.801
  476   HH12  ARG  61          2HH2      ARG  61 -15.137   1.447  -6.403
  477   HH21  ARG  61          1HH1      ARG  61 -11.865   1.774  -5.308
  478   HH22  ARG  61          2HH1      ARG  61 -13.521   2.157  -4.991
  479    H    ASP  62           H        ASP  62 -15.243  -3.960  -6.507
  480    HA   ASP  62           HA       ASP  62 -17.071  -5.065  -7.463
  481    HB2  ASP  62           1HB      ASP  62 -15.714  -3.824  -9.869
  482    HB3  ASP  62           2HB      ASP  62 -17.318  -4.553  -9.927
  483    H    ARG  63           H        ARG  63 -15.167  -6.929  -6.879
  484    HA   ARG  63           HA       ARG  63 -14.540  -9.042  -7.304
  485    HB2  ARG  63           1HB      ARG  63 -16.521  -8.839  -9.577
  486    HB3  ARG  63           2HB      ARG  63 -15.757 -10.322  -9.039
  487    HG2  ARG  63           1HG      ARG  63 -16.726 -10.033  -6.803
  488    HG3  ARG  63           2HG      ARG  63 -17.474  -8.519  -7.317
  489    HD2  ARG  63           1HD      ARG  63 -18.757  -9.744  -9.043
  490    HD3  ARG  63           2HD      ARG  63 -18.022 -11.253  -8.504
  491    HE   ARG  63           HE       ARG  63 -19.428 -11.243  -6.644
  492   HH11  ARG  63          1HH2      ARG  63 -19.479  -8.195  -8.284
  493   HH12  ARG  63          2HH2      ARG  63 -20.803  -7.565  -7.363
  494   HH21  ARG  63          1HH1      ARG  63 -21.162 -10.419  -5.427
  495   HH22  ARG  63          2HH1      ARG  63 -21.756  -8.825  -5.744
  496    H    LYS  64           H        LYS  64 -13.527  -6.548  -9.011
  497    HA   LYS  64           HA       LYS  64 -11.927  -8.124 -10.961
  498    HB2  LYS  64           1HB      LYS  64 -12.589  -5.172 -10.944
  499    HB3  LYS  64           2HB      LYS  64 -11.638  -5.998 -12.160
  500    HG2  LYS  64           1HG      LYS  64 -13.505  -7.157 -13.033
  501    HG3  LYS  64           2HG      LYS  64 -14.452  -6.933 -11.570
  502    HD2  LYS  64           1HD      LYS  64 -15.161  -5.493 -13.542
  503    HD3  LYS  64           2HD      LYS  64 -14.835  -4.609 -12.054
  504    HE2  LYS  64           1HE      LYS  64 -12.728  -3.831 -12.854
  505    HE3  LYS  64           2HE      LYS  64 -12.716  -4.995 -14.183
  506    HZ1  LYS  64           3HZ      LYS  64 -15.056  -3.512 -14.414
  507    HZ2  LYS  64           1HZ      LYS  64 -13.702  -3.477 -15.435
  508    HZ3  LYS  64           2HZ      LYS  64 -13.804  -2.397 -14.126
  509    H    GLN  65           H        GLN  65 -10.071  -8.637  -9.936
  510    HA   GLN  65           HA       GLN  65  -8.770  -6.875  -8.088
  511    HB2  GLN  65           1HB      GLN  65  -7.133  -8.649  -7.896
  512    HB3  GLN  65           2HB      GLN  65  -8.756  -9.331  -7.843
  513    HG2  GLN  65           1HG      GLN  65  -7.649 -10.771  -9.355
  514    HG3  GLN  65           2HG      GLN  65  -8.474  -9.648 -10.431
  515   HE21  GLN  65          2HE2      GLN  65  -7.013  -9.447 -12.169
  516   HE22  GLN  65          1HE2      GLN  65  -5.381  -9.013 -11.994
  517    H    HIS  66           H        HIS  66  -6.867  -5.807  -8.320
  518    HA   HIS  66           HA       HIS  66  -5.448  -5.788 -10.871
  519    HB2  HIS  66           1HB      HIS  66  -6.816  -3.312  -9.801
  520    HB3  HIS  66           2HB      HIS  66  -5.659  -3.334 -11.126
  521    HD1  HIS  66           HD1      HIS  66  -6.408  -4.603 -13.332
  522    HD2  HIS  66           HD2      HIS  66  -9.396  -4.089 -10.481
  523    HE1  HIS  66           HE1      HIS  66  -8.604  -5.056 -14.513
  524    HE2  HIS  66           HE2      HIS  66 -10.441  -4.744 -12.787
  525    H    GLU  67           H        GLU  67  -3.389  -5.048 -10.708
  526    HA   GLU  67           HA       GLU  67  -2.250  -4.764  -8.066
  527    HB2  GLU  67           1HB      GLU  67  -1.005  -5.051 -10.805
  528    HB3  GLU  67           2HB      GLU  67  -0.078  -4.898  -9.311
  529    HG2  GLU  67           1HG      GLU  67  -0.254  -7.246  -9.788
  530    HG3  GLU  67           2HG      GLU  67  -1.326  -6.915  -8.429
  531    H    ALA  68           H        ALA  68  -1.607  -2.931  -7.221
  532    HA   ALA  68           HA       ALA  68  -1.569  -0.460  -8.846
  533    HB1  ALA  68           3HB      ALA  68  -2.050   0.717  -6.780
  534    HB2  ALA  68           1HB      ALA  68  -1.956  -0.784  -5.861
  535    HB3  ALA  68           2HB      ALA  68  -3.253  -0.548  -7.031
  536    H    GLU  69           H        GLU  69   0.233   0.520  -9.100
  537    HA   GLU  69           HA       GLU  69   2.716  -0.395  -7.899
  538    HB2  GLU  69           1HB      GLU  69   2.498   0.388 -10.309
  539    HB3  GLU  69           2HB      GLU  69   2.328   2.029  -9.690
  540    HG2  GLU  69           1HG      GLU  69   4.655   1.742 -10.221
  541    HG3  GLU  69           2HG      GLU  69   4.541   1.684  -8.467
  542    H    LEU  70           H        LEU  70   2.914   0.133  -5.803
  543    HA   LEU  70           HA       LEU  70   2.525   2.964  -4.966
  544    HB2  LEU  70           1HB      LEU  70   2.144   0.334  -3.580
  545    HB3  LEU  70           2HB      LEU  70   2.607   1.707  -2.593
  546    HG   LEU  70           HG       LEU  70   0.131   1.379  -2.729
  547   HD11  LEU  70          1HD1      LEU  70  -0.235   3.622  -2.565
  548   HD12  LEU  70          2HD1      LEU  70   0.428   3.976  -4.158
  549   HD13  LEU  70          3HD1      LEU  70   1.504   3.780  -2.779
  550   HD21  LEU  70          3HD2      LEU  70   0.245   2.311  -5.603
  551   HD22  LEU  70          1HD2      LEU  70  -1.074   1.526  -4.743
  552   HD23  LEU  70          2HD2      LEU  70   0.336   0.595  -5.220
  553    H    VAL  71           H        VAL  71   4.045   4.023  -3.844
  554    HA   VAL  71           HA       VAL  71   6.722   2.771  -3.613
  555    HB   VAL  71           HB       VAL  71   6.365   4.519  -5.504
  556   HG11  VAL  71          1HG1      VAL  71   5.146   6.098  -3.859
  557   HG12  VAL  71          2HG1      VAL  71   6.331   6.830  -4.932
  558   HG13  VAL  71          3HG1      VAL  71   6.740   6.508  -3.246
  559   HG21  VAL  71          3HG2      VAL  71   8.590   3.809  -4.944
  560   HG22  VAL  71          1HG2      VAL  71   8.563   4.711  -3.424
  561   HG23  VAL  71          2HG2      VAL  71   8.632   5.573  -4.960
  562    H    LEU  72           H        LEU  72   7.685   2.918  -1.700
  563    HA   LEU  72           HA       LEU  72   6.280   3.846   0.553
  564    HB2  LEU  72           1HB      LEU  72   9.106   2.932   0.019
  565    HB3  LEU  72           2HB      LEU  72   8.665   3.525   1.612
  566    HG   LEU  72           HG       LEU  72   8.482   1.042   1.415
  567   HD11  LEU  72          1HD1      LEU  72   6.788   2.665   2.782
  568   HD12  LEU  72          2HD1      LEU  72   6.655   0.917   2.792
  569   HD13  LEU  72          3HD1      LEU  72   5.620   1.867   1.731
  570   HD21  LEU  72          3HD2      LEU  72   6.142   1.535  -0.448
  571   HD22  LEU  72          1HD2      LEU  72   6.914   0.003  -0.049
  572   HD23  LEU  72          2HD2      LEU  72   7.763   1.179  -1.049
  573    H    LYS  73           H        LYS  73   6.135   5.755   1.450
  574    HA   LYS  73           HA       LYS  73   8.151   7.817   0.852
  575    HB2  LYS  73           1HB      LYS  73   6.096   8.033  -0.583
  576    HB3  LYS  73           2HB      LYS  73   5.195   8.405   0.890
  577    HG2  LYS  73           1HG      LYS  73   6.966  10.232   1.322
  578    HG3  LYS  73           2HG      LYS  73   7.494   9.959  -0.339
  579    HD2  LYS  73           1HD      LYS  73   4.698  10.759   0.523
  580    HD3  LYS  73           2HD      LYS  73   5.893  11.823  -0.217
  581    HE2  LYS  73           1HE      LYS  73   5.936  10.147  -2.179
  582    HE3  LYS  73           2HE      LYS  73   4.462   9.475  -1.475
  583    HZ1  LYS  73           3HZ      LYS  73   4.319  12.296  -1.582
  584    HZ2  LYS  73           1HZ      LYS  73   3.290  11.143  -2.280
  585    HZ3  LYS  73           2HZ      LYS  73   4.670  11.668  -3.122
  586    HA   PRO  74           HA       PRO  74   7.637   8.068   5.368
  587    HB2  PRO  74           1HB      PRO  74   9.727   9.711   5.942
  588    HB3  PRO  74           2HB      PRO  74   9.984   8.033   5.446
  589    HG2  PRO  74           1HG      PRO  74  10.191  10.529   3.804
  590    HG3  PRO  74           2HG      PRO  74  11.262   9.114   3.840
  591    HD2  PRO  74           1HD      PRO  74   9.320   9.493   1.914
  592    HD3  PRO  74           2HD      PRO  74   9.904   7.886   2.412
  593    H    PHE  75           H        PHE  75   7.844  10.138   6.983
  594    HA   PHE  75           HA       PHE  75   5.963  12.140   5.901
  595    HB2  PHE  75           1HB      PHE  75   6.552  11.300   8.748
  596    HB3  PHE  75           2HB      PHE  75   5.407  12.547   8.284
  597    HD1  PHE  75           HD1      PHE  75   3.671  11.836   6.392
  598    HD2  PHE  75           HD2      PHE  75   5.693   9.099   9.024
  599    HE1  PHE  75           HE1      PHE  75   1.923  10.136   5.974
  600    HE2  PHE  75           HE2      PHE  75   3.937   7.405   8.606
  601    HZ   PHE  75           HZ       PHE  75   2.054   7.922   7.079
  602    HA   PRO  76           HA       PRO  76   9.108  15.272   6.263
  603    HB2  PRO  76           1HB      PRO  76   7.561  17.517   6.816
  604    HB3  PRO  76           2HB      PRO  76   7.706  16.789   5.203
  605    HG2  PRO  76           1HG      PRO  76   5.529  16.459   7.240
  606    HG3  PRO  76           2HG      PRO  76   5.404  16.655   5.480
  607    HD2  PRO  76           1HD      PRO  76   5.163  14.224   6.668
  608    HD3  PRO  76           2HD      PRO  76   5.889  14.401   5.057
  609    H    HIS  77           H        HIS  77   6.715  15.048   8.858
  610    HA   HIS  77           HA       HIS  77   8.323  16.474  10.790
  611    HB2  HIS  77           1HB      HIS  77   6.610  15.666  12.403
  612    HB3  HIS  77           2HB      HIS  77   5.907  16.494  11.013
  613    HD1  HIS  77           HD1      HIS  77   6.954  12.890  11.709
  614    HD2  HIS  77           HD2      HIS  77   3.771  15.024  10.086
  615    HE1  HIS  77           HE1      HIS  77   5.242  11.171  10.990
  616    HE2  HIS  77           HE2      HIS  77   3.293  12.459   9.990
  617    H    HIS  78           H        HIS  78   8.252  13.308   9.529
  618    HA   HIS  78           HA       HIS  78  10.249  12.406  11.493
  619    HB2  HIS  78           1HB      HIS  78   7.657  10.986  10.859
  620    HB3  HIS  78           2HB      HIS  78   9.052  10.163  11.563
  621    HD1  HIS  78           HD1      HIS  78   6.052  11.395  12.738
  622    HD2  HIS  78           HD2      HIS  78   9.980  12.220  13.868
  623    HE1  HIS  78           HE1      HIS  78   5.939  12.342  15.085
  624    HE2  HIS  78           HE2      HIS  78   8.327  12.849  15.787
  625    HA   PRO  79           HA       PRO  79  11.162  11.476   7.009
  626    HB2  PRO  79           1HB      PRO  79  13.797  12.343   7.050
  627    HB3  PRO  79           2HB      PRO  79  12.419  13.397   6.674
  628    HG2  PRO  79           1HG      PRO  79  13.926  13.094   9.243
  629    HG3  PRO  79           2HG      PRO  79  13.284  14.562   8.481
  630    HD2  PRO  79           1HD      PRO  79  12.033  13.321  10.565
  631    HD3  PRO  79           2HD      PRO  79  11.132  14.223   9.332
  632    H    ASN  80           H        ASN  80  12.381  10.499  10.080
  633    HA   ASN  80           HA       ASN  80  14.121   8.410   8.978
  634    HB2  ASN  80           1HB      ASN  80  14.832   9.740  10.955
  635    HB3  ASN  80           2HB      ASN  80  13.424   9.148  11.835
  636   HD21  ASN  80          2HD2      ASN  80  14.692   7.948  13.399
  637   HD22  ASN  80          1HD2      ASN  80  15.559   6.556  12.963
  638    H    GLN  81           H        GLN  81  11.010   8.592   8.821
  639    HA   GLN  81           HA       GLN  81  10.549   5.798   9.616
  640    HB2  GLN  81           1HB      GLN  81   9.749   7.343  11.477
  641    HB3  GLN  81           2HB      GLN  81   8.580   7.995  10.329
  642    HG2  GLN  81           1HG      GLN  81   7.451   6.269  11.567
  643    HG3  GLN  81           2HG      GLN  81   7.762   5.615   9.963
  644   HE21  GLN  81          2HE2      GLN  81   8.704   5.404  13.367
  645   HE22  GLN  81          1HE2      GLN  81   9.614   3.980  13.206
  646    H    ILE  82           H        ILE  82   9.500   4.727   8.115
  647    HA   ILE  82           HA       ILE  82   8.768   6.024   5.657
  648    HB   ILE  82           HB       ILE  82   7.989   3.160   6.060
  649   HG12  ILE  82          1HG1      ILE  82   9.993   3.152   7.437
  650   HG13  ILE  82          2HG1      ILE  82  10.384   2.425   5.888
  651   HG21  ILE  82          1HG2      ILE  82   8.004   4.385   3.870
  652   HG22  ILE  82          2HG2      ILE  82   9.016   2.938   3.880
  653   HG23  ILE  82          3HG2      ILE  82   9.753   4.540   4.012
  654   HD11  ILE  82          3HD1      ILE  82  12.149   3.853   5.884
  655   HD12  ILE  82          1HD1      ILE  82  11.447   4.881   7.121
  656   HD13  ILE  82          2HD1      ILE  82  10.994   5.101   5.430
  657    H    GLY  83           H        GLY  83   6.699   5.805   4.601
  658    HA2  GLY  83           1HA      GLY  83   4.554   6.715   6.174
  659    HA3  GLY  83           2HA      GLY  83   4.433   6.161   4.511
  660    H    LEU  84           H        LEU  84   3.783   5.453   7.774
  661    HA   LEU  84           HA       LEU  84   3.405   2.592   7.453
  662    HB2  LEU  84           1HB      LEU  84   4.117   3.576   9.589
  663    HB3  LEU  84           2HB      LEU  84   2.611   4.479   9.687
  664    HG   LEU  84           HG       LEU  84   2.204   1.547   9.258
  665   HD11  LEU  84          1HD1      LEU  84   3.488   2.527  11.822
  666   HD12  LEU  84          2HD1      LEU  84   4.151   1.348  10.689
  667   HD13  LEU  84          3HD1      LEU  84   2.708   0.957  11.623
  668   HD21  LEU  84          3HD2      LEU  84   0.462   1.844  10.894
  669   HD22  LEU  84          1HD2      LEU  84   0.423   3.266   9.854
  670   HD23  LEU  84          2HD2      LEU  84   1.155   3.365  11.454
  671    H    GLY  85           H        GLY  85   1.632   5.372   6.713
  672    HA2  GLY  85           1HA      GLY  85  -0.999   3.988   6.850
  673    HA3  GLY  85           2HA      GLY  85  -0.760   5.725   6.708
  674    H    VAL  86           H        VAL  86  -2.495   4.500   5.009
  675    HA   VAL  86           HA       VAL  86  -1.180   4.812   2.393
  676    HB   VAL  86           HB       VAL  86  -3.032   2.540   3.131
  677   HG11  VAL  86          1HG1      VAL  86  -3.536   3.229   0.872
  678   HG12  VAL  86          2HG1      VAL  86  -2.514   1.800   0.752
  679   HG13  VAL  86          3HG1      VAL  86  -1.826   3.402   0.482
  680   HG21  VAL  86          3HG2      VAL  86  -0.739   2.180   3.904
  681   HG22  VAL  86          1HG2      VAL  86  -0.112   2.622   2.314
  682   HG23  VAL  86          2HG2      VAL  86  -1.057   1.146   2.512
  683    H    THR  87           H        THR  87  -2.505   5.538   0.721
  684    HA   THR  87           HA       THR  87  -5.228   6.352   1.383
  685    HB   THR  87           HB       THR  87  -4.863   8.643   0.976
  686    HG1  THR  87           HG1      THR  87  -2.269   8.046   0.023
  687   HG21  THR  87          3HG2      THR  87  -3.790   7.833   3.107
  688   HG22  THR  87          1HG2      THR  87  -3.105   9.328   2.470
  689   HG23  THR  87          2HG2      THR  87  -2.250   7.805   2.248
  Start of MODEL    4
    1    H1   MET   1           1H       MET   1 -12.961 -14.001  -1.997
    2    H2   MET   1           2H       MET   1 -11.937 -14.002  -3.355
    3    H3   MET   1           3H       MET   1 -11.321 -14.401  -1.821
    4    HA   MET   1           HA       MET   1 -13.429 -15.978  -3.184
    5    HB2  MET   1           1HB      MET   1 -11.312 -15.941  -4.499
    6    HB3  MET   1           2HB      MET   1 -10.440 -16.488  -3.070
    7    HG2  MET   1           1HG      MET   1 -11.775 -18.556  -3.023
    8    HG3  MET   1           2HG      MET   1 -12.704 -17.997  -4.411
    9    HE1  MET   1           3HE      MET   1  -8.460 -19.677  -4.272
   10    HE2  MET   1           1HE      MET   1  -9.792 -19.931  -3.139
   11    HE3  MET   1           2HE      MET   1  -8.972 -18.372  -3.203
   12    H    ASN   2           H        ASN   2 -14.303 -17.430  -1.819
   13    HA   ASN   2           HA       ASN   2 -14.729 -18.600   0.108
   14    HB2  ASN   2           1HB      ASN   2 -12.713 -19.809  -0.732
   15    HB3  ASN   2           2HB      ASN   2 -11.711 -18.771   0.280
   16   HD21  ASN   2          2HD2      ASN   2 -14.245 -21.284   0.400
   17   HD22  ASN   2          1HD2      ASN   2 -13.945 -21.729   2.010
   18    H    GLU   3           H        GLU   3 -15.051 -15.988   0.574
   19    HA   GLU   3           HA       GLU   3 -15.070 -14.338   2.164
   20    HB2  GLU   3           1HB      GLU   3 -14.536 -16.765   3.900
   21    HB3  GLU   3           2HB      GLU   3 -14.940 -15.170   4.540
   22    HG2  GLU   3           1HG      GLU   3 -17.061 -15.186   3.304
   23    HG3  GLU   3           2HG      GLU   3 -16.655 -16.749   2.599
   24    H    ALA   4           H        ALA   4 -13.119 -13.484   1.122
   25    HA   ALA   4           HA       ALA   4 -10.501 -14.001   2.016
   26    HB1  ALA   4           3HB      ALA   4 -11.661 -11.460   0.850
   27    HB2  ALA   4           1HB      ALA   4 -10.968 -12.803  -0.060
   28    HB3  ALA   4           2HB      ALA   4  -9.941 -11.826   0.988
   29    H    LYS   5           H        LYS   5 -12.436 -11.077   2.777
   30    HA   LYS   5           HA       LYS   5 -12.493  -9.713   4.618
   31    HB2  LYS   5           1HB      LYS   5 -11.463 -12.095   6.171
   32    HB3  LYS   5           2HB      LYS   5 -12.372 -10.715   6.793
   33    HG2  LYS   5           1HG      LYS   5 -14.253 -11.390   5.222
   34    HG3  LYS   5           2HG      LYS   5 -13.359 -12.878   4.914
   35    HD2  LYS   5           1HD      LYS   5 -14.330 -11.912   7.628
   36    HD3  LYS   5           2HD      LYS   5 -15.046 -13.216   6.684
   37    HE2  LYS   5           1HE      LYS   5 -12.356 -13.169   8.076
   38    HE3  LYS   5           2HE      LYS   5 -13.659 -14.341   8.251
   39    HZ1  LYS   5           3HZ      LYS   5 -13.271 -15.006   5.931
   40    HZ2  LYS   5           1HZ      LYS   5 -11.923 -15.281   6.927
   41    HZ3  LYS   5           2HZ      LYS   5 -11.938 -13.955   5.865
   42    H    GLY   6           H        GLY   6 -10.822  -8.363   3.864
   43    HA2  GLY   6           1HA      GLY   6  -8.164  -8.730   5.184
   44    HA3  GLY   6           2HA      GLY   6  -8.365  -8.009   3.593
   45    H    VAL   7           H        VAL   7  -8.249  -5.868   3.564
   46    HA   VAL   7           HA       VAL   7  -9.246  -4.272   5.857
   47    HB   VAL   7           HB       VAL   7  -7.289  -2.737   5.435
   48   HG11  VAL   7          1HG1      VAL   7  -7.312  -4.350   7.307
   49   HG12  VAL   7          2HG1      VAL   7  -5.683  -4.159   6.659
   50   HG13  VAL   7          3HG1      VAL   7  -6.635  -5.587   6.248
   51   HG21  VAL   7          3HG2      VAL   7  -5.384  -3.595   4.193
   52   HG22  VAL   7          1HG2      VAL   7  -6.798  -3.628   3.145
   53   HG23  VAL   7          2HG2      VAL   7  -6.222  -5.117   3.888
   54    H    TYR   8           H        TYR   8  -9.444  -1.929   5.219
   55    HA   TYR   8           HA       TYR   8 -10.300  -1.583   2.394
   56    HB2  TYR   8           1HB      TYR   8 -11.837  -0.775   4.874
   57    HB3  TYR   8           2HB      TYR   8 -12.288  -0.379   3.215
   58    HD1  TYR   8           HD1      TYR   8 -11.886  -3.126   5.671
   59    HD2  TYR   8           HD2      TYR   8 -13.215  -2.071   1.720
   60    HE1  TYR   8           HE1      TYR   8 -13.003  -5.336   5.456
   61    HE2  TYR   8           HE2      TYR   8 -14.332  -4.276   1.510
   62    HH   TYR   8           HH       TYR   8 -14.310  -6.620   4.198
   63    H    VAL   9           H        VAL   9  -9.858   0.371   1.510
   64    HA   VAL   9           HA       VAL   9  -7.998   2.111   2.844
   65    HB   VAL   9           HB       VAL   9  -9.459   2.291   0.195
   66   HG11  VAL   9          1HG1      VAL   9  -8.957   4.564   0.713
   67   HG12  VAL   9          2HG1      VAL   9  -7.620   4.045  -0.308
   68   HG13  VAL   9          3HG1      VAL   9  -7.416   4.150   1.438
   69   HG21  VAL   9          3HG2      VAL   9  -7.770   0.469   0.491
   70   HG22  VAL   9          1HG2      VAL   9  -6.557   1.700   0.829
   71   HG23  VAL   9          2HG2      VAL   9  -7.323   1.636  -0.750
   72    H    MET  10           H        MET  10  -8.491   3.845   4.163
   73    HA   MET  10           HA       MET  10 -11.255   4.631   4.455
   74    HB2  MET  10           1HB      MET  10  -8.897   5.950   5.813
   75    HB3  MET  10           2HB      MET  10 -10.528   5.682   6.432
   76    HG2  MET  10           1HG      MET  10 -10.036   3.205   6.404
   77    HG3  MET  10           2HG      MET  10  -8.366   3.602   5.985
   78    HE1  MET  10           3HE      MET  10  -9.069   1.861   8.386
   79    HE2  MET  10           1HE      MET  10  -8.044   2.518   9.664
   80    HE3  MET  10           2HE      MET  10  -7.417   2.362   8.023
   81    H    SER  11           H        SER  11  -8.213   6.519   3.971
   82    HA   SER  11           HA       SER  11  -9.781   8.448   2.295
   83    HB2  SER  11           1HB      SER  11  -7.527   9.042   4.230
   84    HB3  SER  11           2HB      SER  11  -8.356  10.222   3.211
   85    HG   SER  11           HG       SER  11 -10.030  10.154   4.505
   86    H    VAL  12           H        VAL  12  -8.748   9.408   0.578
   87    HA   VAL  12           HA       VAL  12  -6.142   8.272  -0.287
   88    HB   VAL  12           HB       VAL  12  -8.557   8.850  -2.030
   89   HG11  VAL  12          1HG1      VAL  12  -7.103   7.729  -3.785
   90   HG12  VAL  12          2HG1      VAL  12  -5.762   7.836  -2.645
   91   HG13  VAL  12          3HG1      VAL  12  -6.519   9.306  -3.255
   92   HG21  VAL  12          3HG2      VAL  12  -8.634   6.422  -2.348
   93   HG22  VAL  12          1HG2      VAL  12  -8.765   6.796  -0.631
   94   HG23  VAL  12          2HG2      VAL  12  -7.237   6.216  -1.294
   95    H    LEU  13           H        LEU  13  -4.714   9.748  -0.913
   96    HA   LEU  13           HA       LEU  13  -5.515  12.562  -0.781
   97    HB2  LEU  13           1HB      LEU  13  -2.930  11.101  -0.511
   98    HB3  LEU  13           2HB      LEU  13  -2.864  12.772  -1.031
   99    HG   LEU  13           HG       LEU  13  -4.160  13.441   0.958
  100   HD11  LEU  13          1HD1      LEU  13  -5.487  11.462   1.343
  101   HD12  LEU  13          2HD1      LEU  13  -4.462  11.676   2.759
  102   HD13  LEU  13          3HD1      LEU  13  -4.045  10.465   1.546
  103   HD21  LEU  13          3HD2      LEU  13  -2.399  12.973   2.629
  104   HD22  LEU  13          1HD2      LEU  13  -1.700  13.402   1.069
  105   HD23  LEU  13          2HD2      LEU  13  -1.746  11.716   1.582
  106    HA   PRO  14           HA       PRO  14  -5.392  13.132  -5.164
  107    HB2  PRO  14           1HB      PRO  14  -4.799  15.798  -5.368
  108    HB3  PRO  14           2HB      PRO  14  -6.356  15.217  -4.750
  109    HG2  PRO  14           1HG      PRO  14  -3.945  16.138  -3.214
  110    HG3  PRO  14           2HG      PRO  14  -5.657  16.537  -2.954
  111    HD2  PRO  14           1HD      PRO  14  -4.380  14.625  -1.468
  112    HD3  PRO  14           2HD      PRO  14  -6.110  14.518  -1.879
  113    H    ASN  15           H        ASN  15  -2.552  14.055  -3.302
  114    HA   ASN  15           HA       ASN  15  -0.841  13.839  -5.732
  115    HB2  ASN  15           1HB      ASN  15  -0.333  15.245  -3.107
  116    HB3  ASN  15           2HB      ASN  15   0.806  15.141  -4.450
  117   HD21  ASN  15          2HD2      ASN  15  -0.546  15.715  -6.691
  118   HD22  ASN  15          1HD2      ASN  15  -1.375  17.191  -6.588
  119    H    MET  16           H        MET  16  -1.739  11.478  -4.399
  120    HA   MET  16           HA       MET  16   0.761  10.564  -3.123
  121    HB2  MET  16           1HB      MET  16  -2.072  10.099  -2.463
  122    HB3  MET  16           2HB      MET  16  -1.135   8.611  -2.486
  123    HG2  MET  16           1HG      MET  16  -1.108   9.672  -0.232
  124    HG3  MET  16           2HG      MET  16   0.497   9.582  -0.942
  125    HE1  MET  16           3HE      MET  16   0.530  11.105   1.214
  126    HE2  MET  16           1HE      MET  16   0.725  12.844   1.009
  127    HE3  MET  16           2HE      MET  16   1.822  11.729   0.195
  128    HA   PRO  17           HA       PRO  17   1.669   7.709  -6.302
  129    HB2  PRO  17           1HB      PRO  17   1.786   5.430  -4.356
  130    HB3  PRO  17           2HB      PRO  17   3.055   6.061  -5.420
  131    HG2  PRO  17           1HG      PRO  17   3.126   6.503  -2.788
  132    HG3  PRO  17           2HG      PRO  17   3.632   7.759  -3.942
  133    HD2  PRO  17           1HD      PRO  17   1.029   7.549  -2.428
  134    HD3  PRO  17           2HD      PRO  17   2.037   8.955  -2.758
  135    H    ALA  18           H        ALA  18  -0.833   6.561  -4.039
  136    HA   ALA  18           HA       ALA  18  -1.891   4.614  -5.925
  137    HB1  ALA  18           3HB      ALA  18  -3.247   3.890  -4.132
  138    HB2  ALA  18           1HB      ALA  18  -3.223   5.470  -3.343
  139    HB3  ALA  18           2HB      ALA  18  -1.784   4.454  -3.327
  140    H    ALA  19           H        ALA  19  -2.269   7.919  -5.409
  141    HA   ALA  19           HA       ALA  19  -5.040   8.231  -5.958
  142    HB1  ALA  19           3HB      ALA  19  -3.217   9.948  -5.062
  143    HB2  ALA  19           1HB      ALA  19  -4.631  10.525  -5.945
  144    HB3  ALA  19           2HB      ALA  19  -3.076  10.368  -6.764
  145    H    GLY  20           H        GLY  20  -6.156   8.318  -7.820
  146    HA2  GLY  20           1HA      GLY  20  -6.550   8.576 -10.111
  147    HA3  GLY  20           2HA      GLY  20  -4.815   8.626 -10.401
  148    H    ARG  21           H        ARG  21  -4.771   6.131  -8.525
  149    HA   ARG  21           HA       ARG  21  -5.456   4.126 -10.632
  150    HB2  ARG  21           1HB      ARG  21  -3.227   4.137  -8.579
  151    HB3  ARG  21           2HB      ARG  21  -3.630   2.756  -9.602
  152    HG2  ARG  21           1HG      ARG  21  -3.210   4.109 -11.613
  153    HG3  ARG  21           2HG      ARG  21  -2.828   5.502 -10.600
  154    HD2  ARG  21           1HD      ARG  21  -0.973   4.253  -9.566
  155    HD3  ARG  21           2HD      ARG  21  -1.349   2.855 -10.577
  156    HE   ARG  21           HE       ARG  21  -0.964   4.983 -12.322
  157   HH11  ARG  21          1HH2      ARG  21   0.826   3.307  -9.872
  158   HH12  ARG  21          2HH2      ARG  21   2.364   3.574 -10.617
  159   HH21  ARG  21          1HH1      ARG  21   1.061   5.336 -13.309
  160   HH22  ARG  21          2HH1      ARG  21   2.498   4.725 -12.565
  161    H    LEU  22           H        LEU  22  -5.488   4.929  -7.205
  162    HA   LEU  22           HA       LEU  22  -7.328   2.656  -6.706
  163    HB2  LEU  22           1HB      LEU  22  -4.938   2.618  -5.635
  164    HB3  LEU  22           2HB      LEU  22  -5.571   3.869  -4.573
  165    HG   LEU  22           HG       LEU  22  -7.461   2.354  -3.976
  166   HD11  LEU  22          1HD1      LEU  22  -6.664  -0.224  -4.529
  167   HD12  LEU  22          2HD1      LEU  22  -6.153   0.588  -6.001
  168   HD13  LEU  22          3HD1      LEU  22  -7.838   0.669  -5.487
  169   HD21  LEU  22          3HD2      LEU  22  -5.573   2.525  -2.492
  170   HD22  LEU  22          1HD2      LEU  22  -4.631   1.397  -3.472
  171   HD23  LEU  22          2HD2      LEU  22  -6.035   0.824  -2.572
  172    H    GLU  23           H        GLU  23  -9.020   3.008  -5.212
  173    HA   GLU  23           HA       GLU  23  -9.565   5.798  -4.433
  174    HB2  GLU  23           1HB      GLU  23 -11.273   4.012  -6.168
  175    HB3  GLU  23           2HB      GLU  23 -11.993   5.304  -5.217
  176    HG2  GLU  23           1HG      GLU  23  -9.703   5.726  -7.172
  177    HG3  GLU  23           2HG      GLU  23 -11.394   5.939  -7.604
  178    H    ALA  24           H        ALA  24 -11.045   6.029  -2.814
  179    HA   ALA  24           HA       ALA  24 -10.856   4.245  -0.673
  180    HB1  ALA  24           3HB      ALA  24 -12.631   5.587   0.390
  181    HB2  ALA  24           1HB      ALA  24 -12.982   6.353  -1.158
  182    HB3  ALA  24           2HB      ALA  24 -11.429   6.629  -0.367
  183    H    GLY  25           H        GLY  25 -12.115   2.591   0.044
  184    HA2  GLY  25           1HA      GLY  25 -14.230   1.412   0.143
  185    HA3  GLY  25           2HA      GLY  25 -14.505   1.821  -1.547
  186    H    ASP  26           H        ASP  26 -11.633   1.295  -2.239
  187    HA   ASP  26           HA       ASP  26 -11.947  -1.491  -2.868
  188    HB2  ASP  26           1HB      ASP  26  -9.915  -1.286  -4.048
  189    HB3  ASP  26           2HB      ASP  26 -10.609   0.330  -4.131
  190    H    ARG  27           H        ARG  27 -10.761  -3.297  -2.099
  191    HA   ARG  27           HA       ARG  27  -9.499  -2.970   0.577
  192    HB2  ARG  27           1HB      ARG  27 -10.191  -5.336   0.961
  193    HB3  ARG  27           2HB      ARG  27 -11.550  -4.232   0.763
  194    HG2  ARG  27           1HG      ARG  27 -11.832  -4.921  -1.555
  195    HG3  ARG  27           2HG      ARG  27 -10.398  -5.944  -1.462
  196    HD2  ARG  27           1HD      ARG  27 -11.449  -7.364   0.201
  197    HD3  ARG  27           2HD      ARG  27 -12.854  -6.302   0.280
  198    HE   ARG  27           HE       ARG  27 -12.621  -7.065  -2.378
  199   HH11  ARG  27          1HH2      ARG  27 -13.010  -8.600   0.710
  200   HH12  ARG  27          2HH2      ARG  27 -13.907  -9.938   0.081
  201   HH21  ARG  27          1HH1      ARG  27 -13.800  -8.816  -3.203
  202   HH22  ARG  27          2HH1      ARG  27 -14.356 -10.061  -2.138
  203    H    ILE  28           H        ILE  28  -7.810  -4.456   1.093
  204    HA   ILE  28           HA       ILE  28  -6.091  -5.053  -1.259
  205    HB   ILE  28           HB       ILE  28  -5.305  -4.980   1.666
  206   HG12  ILE  28          1HG1      ILE  28  -6.096  -2.769   1.039
  207   HG13  ILE  28          2HG1      ILE  28  -4.342  -2.739   1.109
  208   HG21  ILE  28          1HG2      ILE  28  -3.023  -4.744   0.710
  209   HG22  ILE  28          2HG2      ILE  28  -3.704  -4.925  -0.909
  210   HG23  ILE  28          3HG2      ILE  28  -3.783  -6.264   0.237
  211   HD11  ILE  28          3HD1      ILE  28  -4.476  -3.210  -1.474
  212   HD12  ILE  28          1HD1      ILE  28  -4.808  -1.586  -0.884
  213   HD13  ILE  28          2HD1      ILE  28  -6.140  -2.655  -1.309
  214    H    ALA  29           H        ALA  29  -6.005  -7.038  -1.948
  215    HA   ALA  29           HA       ALA  29  -6.893  -9.281  -0.251
  216    HB1  ALA  29           3HB      ALA  29  -7.871  -9.209  -2.446
  217    HB2  ALA  29           1HB      ALA  29  -6.730 -10.555  -2.423
  218    HB3  ALA  29           2HB      ALA  29  -6.291  -9.037  -3.208
  219    H    ALA  30           H        ALA  30  -4.024  -7.864  -1.523
  220    HA   ALA  30           HA       ALA  30  -2.301  -9.496   0.014
  221    HB1  ALA  30           3HB      ALA  30  -2.717 -11.323  -1.455
  222    HB2  ALA  30           1HB      ALA  30  -1.142 -10.687  -1.923
  223    HB3  ALA  30           2HB      ALA  30  -2.576 -10.298  -2.880
  224    H    ILE  31           H        ILE  31  -0.007  -9.144  -0.428
  225    HA   ILE  31           HA       ILE  31   0.597  -6.786  -2.095
  226    HB   ILE  31           HB       ILE  31   1.328  -7.024   0.835
  227   HG12  ILE  31          1HG1      ILE  31  -0.225  -4.916  -0.681
  228   HG13  ILE  31          2HG1      ILE  31  -0.966  -6.178   0.282
  229   HG21  ILE  31          1HG2      ILE  31   2.301  -5.129  -1.323
  230   HG22  ILE  31          2HG2      ILE  31   3.276  -6.154  -0.274
  231   HG23  ILE  31          3HG2      ILE  31   2.446  -4.766   0.394
  232   HD11  ILE  31          3HD1      ILE  31   0.357  -5.349   2.243
  233   HD12  ILE  31          1HD1      ILE  31  -0.846  -4.205   1.658
  234   HD13  ILE  31          2HD1      ILE  31   0.859  -3.981   1.266
  235    H    ASP  32           H        ASP  32   2.288  -7.102  -3.311
  236    HA   ASP  32           HA       ASP  32   4.156  -8.127  -4.233
  237    HB2  ASP  32           1HB      ASP  32   5.092  -6.896  -2.259
  238    HB3  ASP  32           2HB      ASP  32   4.991  -8.391  -1.334
  239    H    GLY  33           H        GLY  33   1.865  -9.863  -2.857
  240    HA2  GLY  33           1HA      GLY  33   1.558 -12.161  -3.575
  241    HA3  GLY  33           2HA      GLY  33   3.254 -12.471  -3.237
  242    H    GLN  34           H        GLN  34   2.370 -10.604  -0.721
  243    HA   GLN  34           HA       GLN  34   1.931 -12.928   1.006
  244    HB2  GLN  34           1HB      GLN  34   2.654 -11.612   2.823
  245    HB3  GLN  34           2HB      GLN  34   3.724 -11.266   1.471
  246    HG2  GLN  34           1HG      GLN  34   1.892  -9.285   1.107
  247    HG3  GLN  34           2HG      GLN  34   1.730  -9.481   2.827
  248   HE21  GLN  34          2HE2      GLN  34   4.507  -9.503   0.538
  249   HE22  GLN  34          1HE2      GLN  34   5.433  -8.398   1.427
  250    HA   PRO  35           HA       PRO  35  -2.506 -11.698   1.019
  251    HB2  PRO  35           1HB      PRO  35  -2.642 -13.898   3.063
  252    HB3  PRO  35           2HB      PRO  35  -3.644 -13.650   1.618
  253    HG2  PRO  35           1HG      PRO  35  -1.770 -15.550   1.677
  254    HG3  PRO  35           2HG      PRO  35  -2.062 -14.605   0.202
  255    HD2  PRO  35           1HD      PRO  35   0.179 -14.327   2.200
  256    HD3  PRO  35           2HD      PRO  35   0.202 -14.179   0.432
  257    H    ILE  36           H        ILE  36  -3.459 -10.198   2.333
  258    HA   ILE  36           HA       ILE  36  -2.255  -9.594   4.957
  259    HB   ILE  36           HB       ILE  36  -4.116  -7.901   3.281
  260   HG12  ILE  36          1HG1      ILE  36  -2.106  -8.266   2.001
  261   HG13  ILE  36          2HG1      ILE  36  -2.027  -6.655   2.672
  262   HG21  ILE  36          1HG2      ILE  36  -4.053  -7.292   5.670
  263   HG22  ILE  36          2HG2      ILE  36  -3.251  -6.070   4.704
  264   HG23  ILE  36          3HG2      ILE  36  -2.291  -7.235   5.616
  265   HD11  ILE  36          3HD1      ILE  36  -0.677  -7.791   4.620
  266   HD12  ILE  36          1HD1      ILE  36   0.133  -7.520   3.080
  267   HD13  ILE  36          2HD1      ILE  36  -0.486  -9.112   3.472
  268    H    ASN  37           H        ASN  37  -3.194 -10.337   6.585
  269    HA   ASN  37           HA       ASN  37  -6.156 -10.621   6.744
  270    HB2  ASN  37           1HB      ASN  37  -3.924 -12.150   8.094
  271    HB3  ASN  37           2HB      ASN  37  -5.604 -12.259   8.620
  272   HD21  ASN  37          2HD2      ASN  37  -6.869 -12.180   6.048
  273   HD22  ASN  37          1HD2      ASN  37  -6.456 -13.599   5.215
  274    H    THR  38           H        THR  38  -3.390  -9.023   8.118
  275    HA   THR  38           HA       THR  38  -5.153  -7.741  10.141
  276    HB   THR  38           HB       THR  38  -3.335  -7.770  11.762
  277    HG1  THR  38           HG1      THR  38  -1.713  -7.880  10.023
  278   HG21  THR  38          3HG2      THR  38  -3.937 -10.494  10.593
  279   HG22  THR  38          1HG2      THR  38  -4.868  -9.653  11.833
  280   HG23  THR  38          2HG2      THR  38  -3.235 -10.216  12.186
  281    H    SER  39           H        SER  39  -4.622  -5.627  10.670
  282    HA   SER  39           HA       SER  39  -3.466  -4.075   8.567
  283    HB2  SER  39           1HB      SER  39  -3.835  -2.172  10.116
  284    HB3  SER  39           2HB      SER  39  -5.273  -3.178   9.954
  285    HG   SER  39           HG       SER  39  -3.870  -4.232  11.887
  286    H    GLU  40           H        GLU  40  -2.360  -5.431  11.575
  287    HA   GLU  40           HA       GLU  40  -0.018  -3.880  11.933
  288    HB2  GLU  40           1HB      GLU  40  -0.651  -6.715  12.793
  289    HB3  GLU  40           2HB      GLU  40   0.732  -5.782  13.361
  290    HG2  GLU  40           1HG      GLU  40  -2.151  -4.902  13.670
  291    HG3  GLU  40           2HG      GLU  40  -1.231  -5.730  14.923
  292    H    GLN  41           H        GLN  41  -0.776  -6.640   9.904
  293    HA   GLN  41           HA       GLN  41   1.872  -7.477   9.380
  294    HB2  GLN  41           1HB      GLN  41  -0.225  -8.758   8.838
  295    HB3  GLN  41           2HB      GLN  41  -0.506  -7.641   7.509
  296    HG2  GLN  41           1HG      GLN  41   1.664  -8.261   6.520
  297    HG3  GLN  41           2HG      GLN  41   1.963  -9.366   7.861
  298   HE21  GLN  41          2HE2      GLN  41  -1.084 -10.010   7.810
  299   HE22  GLN  41          1HE2      GLN  41  -1.226 -11.114   6.532
  300    H    ILE  42           H        ILE  42  -0.081  -4.802   8.162
  301    HA   ILE  42           HA       ILE  42   1.561  -4.252   5.882
  302    HB   ILE  42           HB       ILE  42  -0.431  -2.520   7.359
  303   HG12  ILE  42          1HG1      ILE  42  -1.447  -4.613   6.548
  304   HG13  ILE  42          2HG1      ILE  42  -2.013  -3.244   5.594
  305   HG21  ILE  42          1HG2      ILE  42   0.999  -1.151   5.965
  306   HG22  ILE  42          2HG2      ILE  42  -0.548  -1.334   5.142
  307   HG23  ILE  42          3HG2      ILE  42   0.846  -2.284   4.623
  308   HD11  ILE  42          3HD1      ILE  42   0.052  -3.934   4.035
  309   HD12  ILE  42          1HD1      ILE  42  -1.503  -4.723   3.903
  310   HD13  ILE  42          2HD1      ILE  42  -0.206  -5.488   4.808
  311    H    VAL  43           H        VAL  43   1.585  -3.379   9.259
  312    HA   VAL  43           HA       VAL  43   3.274  -1.074   9.017
  313    HB   VAL  43           HB       VAL  43   2.750  -2.920  11.366
  314   HG11  VAL  43          1HG1      VAL  43   3.961  -0.144  11.183
  315   HG12  VAL  43          2HG1      VAL  43   4.742  -1.607  11.783
  316   HG13  VAL  43          3HG1      VAL  43   3.423  -0.878  12.694
  317   HG21  VAL  43          3HG2      VAL  43   0.683  -1.928  10.521
  318   HG22  VAL  43          1HG2      VAL  43   1.429  -0.329  10.493
  319   HG23  VAL  43          2HG2      VAL  43   1.131  -1.136  12.032
  320    H    SER  44           H        SER  44   3.820  -4.547   9.644
  321    HA   SER  44           HA       SER  44   6.632  -4.267  10.097
  322    HB2  SER  44           1HB      SER  44   5.052  -6.692   9.207
  323    HB3  SER  44           2HB      SER  44   6.689  -6.703   9.868
  324    HG   SER  44           HG       SER  44   4.281  -6.526  11.135
  325    H    TYR  45           H        TYR  45   4.610  -5.029   7.328
  326    HA   TYR  45           HA       TYR  45   6.602  -5.696   5.475
  327    HB2  TYR  45           1HB      TYR  45   4.209  -6.024   5.077
  328    HB3  TYR  45           2HB      TYR  45   3.971  -4.284   4.981
  329    HD1  TYR  45           HD1      TYR  45   6.100  -6.996   3.501
  330    HD2  TYR  45           HD2      TYR  45   4.043  -3.277   2.825
  331    HE1  TYR  45           HE1      TYR  45   6.675  -7.110   1.090
  332    HE2  TYR  45           HE2      TYR  45   4.612  -3.412   0.417
  333    HH   TYR  45           HH       TYR  45   5.195  -5.246  -1.243
  334    H    VAL  46           H        VAL  46   5.045  -2.493   5.872
  335    HA   VAL  46           HA       VAL  46   6.701  -1.100   4.106
  336    HB   VAL  46           HB       VAL  46   6.026   0.907   5.385
  337   HG11  VAL  46          1HG1      VAL  46   3.553   0.587   5.078
  338   HG12  VAL  46          2HG1      VAL  46   3.882  -1.117   4.769
  339   HG13  VAL  46          3HG1      VAL  46   4.524   0.122   3.686
  340   HG21  VAL  46          3HG2      VAL  46   6.091   0.080   7.634
  341   HG22  VAL  46          1HG2      VAL  46   4.864  -1.112   7.254
  342   HG23  VAL  46          2HG2      VAL  46   4.439   0.587   7.285
  343    H    ARG  47           H        ARG  47   7.184  -1.999   7.466
  344    HA   ARG  47           HA       ARG  47   9.418  -0.356   8.003
  345    HB2  ARG  47           1HB      ARG  47   8.043  -1.537   9.732
  346    HB3  ARG  47           2HB      ARG  47   8.769  -3.050   9.217
  347    HG2  ARG  47           1HG      ARG  47   9.951  -2.243  11.177
  348    HG3  ARG  47           2HG      ARG  47  11.023  -2.144   9.782
  349    HD2  ARG  47           1HD      ARG  47   9.389   0.297  10.439
  350    HD3  ARG  47           2HD      ARG  47  10.750  -0.072  11.483
  351    HE   ARG  47           HE       ARG  47  10.866   0.786   8.706
  352   HH11  ARG  47          1HH2      ARG  47  12.471  -0.723  11.379
  353   HH12  ARG  47          2HH2      ARG  47  14.060  -0.470  10.750
  354   HH21  ARG  47          1HH1      ARG  47  12.944   1.089   7.851
  355   HH22  ARG  47          2HH1      ARG  47  14.329   0.560   8.740
  356    H    GLU  48           H        GLU  48   9.145  -3.634   6.637
  357    HA   GLU  48           HA       GLU  48  11.868  -4.309   6.648
  358    HB2  GLU  48           1HB      GLU  48   9.671  -5.045   4.688
  359    HB3  GLU  48           2HB      GLU  48  11.276  -5.772   4.660
  360    HG2  GLU  48           1HG      GLU  48   9.459  -5.823   7.077
  361    HG3  GLU  48           2HG      GLU  48   9.552  -7.124   5.898
  362    H    LYS  49           H        LYS  49   9.936  -2.732   4.117
  363    HA   LYS  49           HA       LYS  49  12.258  -2.190   2.463
  364    HB2  LYS  49           1HB      LYS  49   9.457  -1.093   2.118
  365    HB3  LYS  49           2HB      LYS  49  10.696  -1.249   0.912
  366    HG2  LYS  49           1HG      LYS  49   9.532  -3.664   2.330
  367    HG3  LYS  49           2HG      LYS  49   8.859  -3.028   0.842
  368    HD2  LYS  49           1HD      LYS  49  11.033  -3.333  -0.279
  369    HD3  LYS  49           2HD      LYS  49  11.705  -4.005   1.204
  370    HE2  LYS  49           1HE      LYS  49  10.087  -5.832   1.147
  371    HE3  LYS  49           2HE      LYS  49   9.356  -5.156  -0.312
  372    HZ1  LYS  49           3HZ      LYS  49  11.952  -5.257  -0.979
  373    HZ2  LYS  49           1HZ      LYS  49  10.821  -6.464  -1.359
  374    HZ3  LYS  49           2HZ      LYS  49  11.822  -6.632   0.007
  375    H    GLN  50           H        GLN  50  13.104  -0.166   1.967
  376    HA   GLN  50           HA       GLN  50  12.753   1.859   4.082
  377    HB2  GLN  50           1HB      GLN  50  14.950   2.707   3.322
  378    HB3  GLN  50           2HB      GLN  50  15.029   1.015   3.812
  379    HG2  GLN  50           1HG      GLN  50  14.798   0.345   1.422
  380    HG3  GLN  50           2HG      GLN  50  14.834   2.047   0.967
  381   HE21  GLN  50          2HE2      GLN  50  16.846   1.670   3.651
  382   HE22  GLN  50          1HE2      GLN  50  18.323   1.486   2.837
  383    H    ALA  51           H        ALA  51  13.477   4.126   3.146
  384    HA   ALA  51           HA       ALA  51  11.326   5.001   1.524
  385    HB1  ALA  51           3HB      ALA  51  13.906   6.385   2.312
  386    HB2  ALA  51           1HB      ALA  51  12.361   6.492   3.154
  387    HB3  ALA  51           2HB      ALA  51  12.535   7.184   1.540
  388    H    GLY  52           H        GLY  52  11.178   5.334  -0.654
  389    HA2  GLY  52           1HA      GLY  52  12.001   5.761  -2.831
  390    HA3  GLY  52           2HA      GLY  52  13.607   5.244  -2.329
  391    H    ASP  53           H        ASP  53  11.506   3.048  -1.055
  392    HA   ASP  53           HA       ASP  53  12.221   1.020  -3.000
  393    HB2  ASP  53           1HB      ASP  53  12.123   0.537  -0.566
  394    HB3  ASP  53           2HB      ASP  53  10.389   0.775  -0.598
  395    H    ARG  54           H        ARG  54  10.463  -0.558  -3.674
  396    HA   ARG  54           HA       ARG  54   7.919   0.759  -4.437
  397    HB2  ARG  54           1HB      ARG  54   9.897  -0.554  -6.331
  398    HB3  ARG  54           2HB      ARG  54   8.212  -0.250  -6.755
  399    HG2  ARG  54           1HG      ARG  54   8.505   2.128  -6.415
  400    HG3  ARG  54           2HG      ARG  54  10.156   1.881  -5.848
  401    HD2  ARG  54           1HD      ARG  54  10.169   2.586  -8.203
  402    HD3  ARG  54           2HD      ARG  54  10.759   0.930  -8.062
  403    HE   ARG  54           HE       ARG  54   7.959   0.913  -8.502
  404   HH11  ARG  54          1HH2      ARG  54  10.979   1.585 -10.071
  405   HH12  ARG  54          2HH2      ARG  54  10.407   1.167 -11.649
  406   HH21  ARG  54          1HH1      ARG  54   7.208   0.360 -10.578
  407   HH22  ARG  54          2HH1      ARG  54   8.272   0.475 -11.936
  408    H    VAL  55           H        VAL  55   6.298  -0.526  -3.962
  409    HA   VAL  55           HA       VAL  55   6.704  -3.466  -3.924
  410    HB   VAL  55           HB       VAL  55   5.076  -3.492  -1.982
  411   HG11  VAL  55          1HG1      VAL  55   7.530  -3.727  -1.698
  412   HG12  VAL  55          2HG1      VAL  55   6.799  -2.872  -0.339
  413   HG13  VAL  55          3HG1      VAL  55   7.666  -1.975  -1.579
  414   HG21  VAL  55          3HG2      VAL  55   4.887  -1.341  -0.727
  415   HG22  VAL  55          1HG2      VAL  55   4.106  -1.271  -2.304
  416   HG23  VAL  55          2HG2      VAL  55   5.682  -0.517  -2.061
  417    H    ARG  56           H        ARG  56   5.330  -4.626  -4.906
  418    HA   ARG  56           HA       ARG  56   3.154  -3.488  -6.486
  419    HB2  ARG  56           1HB      ARG  56   4.025  -6.374  -6.165
  420    HB3  ARG  56           2HB      ARG  56   2.944  -5.746  -7.402
  421    HG2  ARG  56           1HG      ARG  56   5.828  -4.868  -7.046
  422    HG3  ARG  56           2HG      ARG  56   5.302  -6.083  -8.204
  423    HD2  ARG  56           1HD      ARG  56   3.701  -4.271  -9.123
  424    HD3  ARG  56           2HD      ARG  56   4.659  -3.123  -8.186
  425    HE   ARG  56           HE       ARG  56   5.459  -4.448 -10.618
  426   HH11  ARG  56          1HH2      ARG  56   6.528  -2.999  -7.653
  427   HH12  ARG  56          2HH2      ARG  56   8.080  -2.554  -8.275
  428   HH21  ARG  56          1HH1      ARG  56   7.478  -3.855 -11.437
  429   HH22  ARG  56          2HH1      ARG  56   8.618  -3.040 -10.425
  430    H    VAL  57           H        VAL  57   1.303  -3.082  -5.558
  431    HA   VAL  57           HA       VAL  57   0.342  -4.804  -3.325
  432    HB   VAL  57           HB       VAL  57  -0.340  -1.980  -4.142
  433   HG11  VAL  57          1HG1      VAL  57  -2.432  -2.799  -3.381
  434   HG12  VAL  57          2HG1      VAL  57  -1.732  -2.089  -1.930
  435   HG13  VAL  57          3HG1      VAL  57  -1.692  -3.834  -2.167
  436   HG21  VAL  57          3HG2      VAL  57   1.002  -3.168  -1.701
  437   HG22  VAL  57          1HG2      VAL  57   0.571  -1.475  -1.869
  438   HG23  VAL  57          2HG2      VAL  57   1.766  -2.190  -2.946
  439    H    THR  58           H        THR  58  -1.436  -6.027  -3.529
  440    HA   THR  58           HA       THR  58  -2.929  -5.947  -6.089
  441    HB   THR  58           HB       THR  58  -2.952  -8.086  -3.938
  442    HG1  THR  58           HG1      THR  58  -0.868  -7.784  -4.835
  443   HG21  THR  58          3HG2      THR  58  -3.811  -9.480  -5.781
  444   HG22  THR  58          1HG2      THR  58  -3.753  -8.085  -6.859
  445   HG23  THR  58          2HG2      THR  58  -4.862  -8.096  -5.487
  446    H    PHE  59           H        PHE  59  -5.109  -5.497  -6.123
  447    HA   PHE  59           HA       PHE  59  -6.645  -5.472  -3.623
  448    HB2  PHE  59           1HB      PHE  59  -7.277  -3.181  -3.723
  449    HB3  PHE  59           2HB      PHE  59  -5.528  -3.187  -3.884
  450    HD1  PHE  59           HD2      PHE  59  -4.446  -2.689  -6.075
  451    HD2  PHE  59           HD1      PHE  59  -8.727  -2.620  -5.629
  452    HE1  PHE  59           HE2      PHE  59  -4.672  -1.488  -8.237
  453    HE2  PHE  59           HE1      PHE  59  -8.928  -1.416  -7.771
  454    HZ   PHE  59           HZ       PHE  59  -6.904  -0.843  -9.077
  455    H    ILE  60           H        ILE  60  -8.958  -5.488  -4.004
  456    HA   ILE  60           HA       ILE  60  -9.705  -6.218  -6.753
  457    HB   ILE  60           HB       ILE  60 -10.605  -7.105  -4.034
  458   HG12  ILE  60          1HG1      ILE  60 -10.487  -9.321  -5.077
  459   HG13  ILE  60          2HG1      ILE  60 -10.236  -8.591  -6.664
  460   HG21  ILE  60          1HG2      ILE  60 -12.358  -7.030  -6.507
  461   HG22  ILE  60          2HG2      ILE  60 -12.749  -6.465  -4.880
  462   HG23  ILE  60          3HG2      ILE  60 -12.634  -8.191  -5.206
  463   HD11  ILE  60          3HD1      ILE  60  -8.164  -9.468  -5.293
  464   HD12  ILE  60          1HD1      ILE  60  -8.320  -7.949  -4.417
  465   HD13  ILE  60          2HD1      ILE  60  -8.048  -7.938  -6.162
  466    H    ARG  61           H        ARG  61 -11.266  -5.264  -7.825
  467    HA   ARG  61           HA       ARG  61 -13.018  -3.324  -6.522
  468    HB2  ARG  61           1HB      ARG  61 -11.200  -1.913  -7.177
  469    HB3  ARG  61           2HB      ARG  61 -11.097  -2.662  -8.764
  470    HG2  ARG  61           1HG      ARG  61 -13.204  -1.715  -9.446
  471    HG3  ARG  61           2HG      ARG  61 -13.576  -1.198  -7.801
  472    HD2  ARG  61           1HD      ARG  61 -11.197  -0.182  -9.380
  473    HD3  ARG  61           2HD      ARG  61 -12.751   0.645  -9.327
  474    HE   ARG  61           HE       ARG  61 -10.768   0.604  -7.246
  475   HH11  ARG  61          1HH2      ARG  61 -14.156   0.744  -7.958
  476   HH12  ARG  61          2HH2      ARG  61 -14.581   1.530  -6.475
  477   HH21  ARG  61          1HH1      ARG  61 -11.323   1.616  -5.280
  478   HH22  ARG  61          2HH1      ARG  61 -12.972   2.024  -4.958
  479    H    ASP  62           H        ASP  62 -14.949  -3.659  -7.142
  480    HA   ASP  62           HA       ASP  62 -16.808  -4.498  -8.273
  481    HB2  ASP  62           1HB      ASP  62 -15.119  -3.461 -10.561
  482    HB3  ASP  62           2HB      ASP  62 -16.794  -3.977 -10.746
  483    H    ARG  63           H        ARG  63 -14.988  -6.534  -7.595
  484    HA   ARG  63           HA       ARG  63 -14.586  -8.706  -7.969
  485    HB2  ARG  63           1HB      ARG  63 -16.450  -8.382 -10.319
  486    HB3  ARG  63           2HB      ARG  63 -15.848  -9.905  -9.700
  487    HG2  ARG  63           1HG      ARG  63 -16.860  -9.418  -7.505
  488    HG3  ARG  63           2HG      ARG  63 -17.486  -7.896  -8.141
  489    HD2  ARG  63           1HD      ARG  63 -18.754  -9.157  -9.864
  490    HD3  ARG  63           2HD      ARG  63 -18.169 -10.666  -9.165
  491    HE   ARG  63           HE       ARG  63 -19.460  -9.005  -7.211
  492   HH11  ARG  63          1HH2      ARG  63 -19.980 -11.224  -9.827
  493   HH12  ARG  63          2HH2      ARG  63 -21.518 -11.762  -9.243
  494   HH21  ARG  63          1HH1      ARG  63 -21.471  -9.708  -6.444
  495   HH22  ARG  63          2HH1      ARG  63 -22.364 -10.901  -7.323
  496    H    LYS  64           H        LYS  64 -13.286  -6.334  -9.632
  497    HA   LYS  64           HA       LYS  64 -11.740  -8.071 -11.489
  498    HB2  LYS  64           1HB      LYS  64 -12.190  -5.081 -11.595
  499    HB3  LYS  64           2HB      LYS  64 -11.236  -6.015 -12.733
  500    HG2  LYS  64           1HG      LYS  64 -13.235  -7.321 -13.352
  501    HG3  LYS  64           2HG      LYS  64 -14.205  -6.378 -12.228
  502    HD2  LYS  64           1HD      LYS  64 -12.623  -4.964 -14.387
  503    HD3  LYS  64           2HD      LYS  64 -14.168  -5.701 -14.783
  504    HE2  LYS  64           1HE      LYS  64 -13.797  -3.669 -12.555
  505    HE3  LYS  64           2HE      LYS  64 -14.341  -3.271 -14.182
  506    HZ1  LYS  64           3HZ      LYS  64 -16.333  -3.613 -13.183
  507    HZ2  LYS  64           1HZ      LYS  64 -15.724  -4.737 -12.067
  508    HZ3  LYS  64           2HZ      LYS  64 -16.015  -5.208 -13.674
  509    H    GLN  65           H        GLN  65  -9.976  -8.673 -10.407
  510    HA   GLN  65           HA       GLN  65  -8.646  -7.073  -8.464
  511    HB2  GLN  65           1HB      GLN  65  -7.049  -8.878  -8.344
  512    HB3  GLN  65           2HB      GLN  65  -8.681  -9.539  -8.392
  513    HG2  GLN  65           1HG      GLN  65  -7.554 -10.886  -9.974
  514    HG3  GLN  65           2HG      GLN  65  -8.309  -9.664 -10.993
  515   HE21  GLN  65          2HE2      GLN  65  -6.811  -9.228 -12.633
  516   HE22  GLN  65          1HE2      GLN  65  -5.164  -8.907 -12.374
  517    H    HIS  66           H        HIS  66  -6.902  -5.841  -8.595
  518    HA   HIS  66           HA       HIS  66  -5.279  -5.740 -11.037
  519    HB2  HIS  66           1HB      HIS  66  -6.730  -3.313  -9.962
  520    HB3  HIS  66           2HB      HIS  66  -5.503  -3.292 -11.226
  521    HD1  HIS  66           HD1      HIS  66  -6.140  -4.744 -13.447
  522    HD2  HIS  66           HD2      HIS  66  -9.254  -3.841 -10.846
  523    HE1  HIS  66           HE1      HIS  66  -8.283  -5.104 -14.753
  524    HE2  HIS  66           HE2      HIS  66 -10.199  -4.553 -13.178
  525    H    GLU  67           H        GLU  67  -3.257  -5.015 -10.726
  526    HA   GLU  67           HA       GLU  67  -2.277  -4.776  -8.007
  527    HB2  GLU  67           1HB      GLU  67  -1.165  -5.571 -10.637
  528    HB3  GLU  67           2HB      GLU  67  -0.043  -4.613  -9.679
  529    HG2  GLU  67           1HG      GLU  67  -1.486  -7.052  -8.608
  530    HG3  GLU  67           2HG      GLU  67   0.120  -7.115  -9.325
  531    H    ALA  68           H        ALA  68  -1.464  -3.037  -7.128
  532    HA   ALA  68           HA       ALA  68  -1.482  -0.476  -8.619
  533    HB1  ALA  68           3HB      ALA  68  -3.095  -0.774  -6.661
  534    HB2  ALA  68           1HB      ALA  68  -2.044   0.633  -6.588
  535    HB3  ALA  68           2HB      ALA  68  -1.692  -0.788  -5.618
  536    H    GLU  69           H        GLU  69   0.361   0.378  -8.981
  537    HA   GLU  69           HA       GLU  69   2.841  -0.538  -7.732
  538    HB2  GLU  69           1HB      GLU  69   2.307   1.511  -9.909
  539    HB3  GLU  69           2HB      GLU  69   3.917   1.079  -9.331
  540    HG2  GLU  69           1HG      GLU  69   3.532  -1.261  -9.968
  541    HG3  GLU  69           2HG      GLU  69   1.911  -0.851 -10.528
  542    H    LEU  70           H        LEU  70   3.040   0.212  -5.713
  543    HA   LEU  70           HA       LEU  70   2.764   3.131  -5.162
  544    HB2  LEU  70           1HB      LEU  70   2.286   0.681  -3.476
  545    HB3  LEU  70           2HB      LEU  70   2.752   2.175  -2.675
  546    HG   LEU  70           HG       LEU  70   0.853   3.339  -3.710
  547   HD11  LEU  70          1HD1      LEU  70   0.406   2.323  -5.759
  548   HD12  LEU  70          2HD1      LEU  70  -0.931   1.736  -4.785
  549   HD13  LEU  70          3HD1      LEU  70   0.454   0.688  -5.095
  550   HD21  LEU  70          3HD2      LEU  70  -0.014   0.768  -2.360
  551   HD22  LEU  70          1HD2      LEU  70  -0.902   2.288  -2.390
  552   HD23  LEU  70          2HD2      LEU  70   0.623   2.175  -1.513
  553    H    VAL  71           H        VAL  71   4.318   4.174  -3.972
  554    HA   VAL  71           HA       VAL  71   6.968   2.844  -3.768
  555    HB   VAL  71           HB       VAL  71   6.723   4.553  -5.645
  556   HG11  VAL  71          1HG1      VAL  71   6.754   6.600  -3.413
  557   HG12  VAL  71          2HG1      VAL  71   5.278   6.107  -4.229
  558   HG13  VAL  71          3HG1      VAL  71   6.566   6.888  -5.140
  559   HG21  VAL  71          3HG2      VAL  71   8.883   5.765  -4.949
  560   HG22  VAL  71          1HG2      VAL  71   8.937   4.006  -4.930
  561   HG23  VAL  71          2HG2      VAL  71   8.758   4.904  -3.418
  562    H    LEU  72           H        LEU  72   7.931   2.939  -1.852
  563    HA   LEU  72           HA       LEU  72   6.584   3.888   0.430
  564    HB2  LEU  72           1HB      LEU  72   9.366   2.891  -0.144
  565    HB3  LEU  72           2HB      LEU  72   8.968   3.480   1.459
  566    HG   LEU  72           HG       LEU  72   8.696   1.015   1.223
  567   HD11  LEU  72          1HD1      LEU  72   5.871   1.925   1.644
  568   HD12  LEU  72          2HD1      LEU  72   7.087   2.701   2.651
  569   HD13  LEU  72          3HD1      LEU  72   6.916   0.952   2.678
  570   HD21  LEU  72          3HD2      LEU  72   6.325   1.615  -0.574
  571   HD22  LEU  72          1HD2      LEU  72   7.042   0.048  -0.205
  572   HD23  LEU  72          2HD2      LEU  72   7.914   1.193  -1.219
  573    H    LYS  73           H        LYS  73   6.530   5.816   1.397
  574    HA   LYS  73           HA       LYS  73   8.682   7.726   0.884
  575    HB2  LYS  73           1HB      LYS  73   5.788   8.067   0.211
  576    HB3  LYS  73           2HB      LYS  73   6.724   9.486   0.696
  577    HG2  LYS  73           1HG      LYS  73   8.279   9.192  -1.106
  578    HG3  LYS  73           2HG      LYS  73   7.661   7.589  -1.473
  579    HD2  LYS  73           1HD      LYS  73   6.828   9.205  -3.102
  580    HD3  LYS  73           2HD      LYS  73   5.498   8.567  -2.138
  581    HE2  LYS  73           1HE      LYS  73   5.304  10.573  -0.876
  582    HE3  LYS  73           2HE      LYS  73   6.906  11.140  -1.357
  583    HZ1  LYS  73           3HZ      LYS  73   5.509  10.723  -3.690
  584    HZ2  LYS  73           1HZ      LYS  73   5.926  12.214  -2.993
  585    HZ3  LYS  73           2HZ      LYS  73   4.420  11.507  -2.648
  586    HA   PRO  74           HA       PRO  74   7.867   7.910   5.348
  587    HB2  PRO  74           1HB      PRO  74   9.974   9.462   6.088
  588    HB3  PRO  74           2HB      PRO  74  10.179   7.767   5.622
  589    HG2  PRO  74           1HG      PRO  74  10.631  10.238   3.980
  590    HG3  PRO  74           2HG      PRO  74  11.641   8.782   4.116
  591    HD2  PRO  74           1HD      PRO  74   9.919   9.183   2.033
  592    HD3  PRO  74           2HD      PRO  74  10.306   7.553   2.640
  593    H    PHE  75           H        PHE  75   8.199  10.009   6.972
  594    HA   PHE  75           HA       PHE  75   6.419  12.096   5.856
  595    HB2  PHE  75           1HB      PHE  75   6.747  10.982   8.653
  596    HB3  PHE  75           2HB      PHE  75   5.870  12.476   8.343
  597    HD1  PHE  75           HD1      PHE  75   5.883   8.827   7.880
  598    HD2  PHE  75           HD2      PHE  75   3.754  12.473   7.083
  599    HE1  PHE  75           HE1      PHE  75   3.886   7.517   7.216
  600    HE2  PHE  75           HE2      PHE  75   1.756  11.160   6.424
  601    HZ   PHE  75           HZ       PHE  75   1.823   8.683   6.490
  602    HA   PRO  76           HA       PRO  76   9.618  15.120   6.468
  603    HB2  PRO  76           1HB      PRO  76   8.105  17.372   7.091
  604    HB3  PRO  76           2HB      PRO  76   8.296  16.734   5.448
  605    HG2  PRO  76           1HG      PRO  76   6.031  16.351   7.372
  606    HG3  PRO  76           2HG      PRO  76   5.981  16.633   5.619
  607    HD2  PRO  76           1HD      PRO  76   5.636  14.154   6.676
  608    HD3  PRO  76           2HD      PRO  76   6.438  14.391   5.110
  609    H    HIS  77           H        HIS  77   7.234  14.584   8.975
  610    HA   HIS  77           HA       HIS  77   8.800  15.913  11.047
  611    HB2  HIS  77           1HB      HIS  77   6.312  14.203  11.276
  612    HB3  HIS  77           2HB      HIS  77   7.014  15.207  12.547
  613    HD1  HIS  77           HD1      HIS  77   7.219  16.711   9.202
  614    HD2  HIS  77           HD2      HIS  77   4.486  16.725  12.350
  615    HE1  HIS  77           HE1      HIS  77   5.641  18.644   8.772
  616    HE2  HIS  77           HE2      HIS  77   3.969  18.667  10.682
  617    H    HIS  78           H        HIS  78   8.699  12.850   9.542
  618    HA   HIS  78           HA       HIS  78  10.571  11.738  11.501
  619    HB2  HIS  78           1HB      HIS  78   8.058  10.296  10.635
  620    HB3  HIS  78           2HB      HIS  78   9.338   9.653  11.669
  621    HD1  HIS  78           HD1      HIS  78   6.189  11.441  11.849
  622    HD2  HIS  78           HD2      HIS  78   9.673  11.360  14.138
  623    HE1  HIS  78           HE1      HIS  78   5.592  12.437  14.101
  624    HE2  HIS  78           HE2      HIS  78   7.705  12.394  15.507
  625    HA   PRO  79           HA       PRO  79  11.390  11.109   6.897
  626    HB2  PRO  79           1HB      PRO  79  14.085  11.812   7.009
  627    HB3  PRO  79           2HB      PRO  79  12.771  12.947   6.645
  628    HG2  PRO  79           1HG      PRO  79  14.184  12.454   9.237
  629    HG3  PRO  79           2HG      PRO  79  13.650  13.989   8.522
  630    HD2  PRO  79           1HD      PRO  79  12.259  12.806  10.516
  631    HD3  PRO  79           2HD      PRO  79  11.430  13.706   9.236
  632    H    ASN  80           H        ASN  80  12.514   9.828   9.853
  633    HA   ASN  80           HA       ASN  80  14.086   7.684   8.563
  634    HB2  ASN  80           1HB      ASN  80  13.728   8.486  11.458
  635    HB3  ASN  80           2HB      ASN  80  14.748   7.165  10.887
  636   HD21  ASN  80          2HD2      ASN  80  16.158   8.140   8.798
  637   HD22  ASN  80          1HD2      ASN  80  17.010   9.549   9.206
  638    H    GLN  81           H        GLN  81  10.982   8.100   8.759
  639    HA   GLN  81           HA       GLN  81  10.376   5.339   9.661
  640    HB2  GLN  81           1HB      GLN  81   8.742   7.820  10.268
  641    HB3  GLN  81           2HB      GLN  81   8.258   6.164  10.628
  642    HG2  GLN  81           1HG      GLN  81  10.765   7.478  11.702
  643    HG3  GLN  81           2HG      GLN  81   9.255   7.344  12.597
  644   HE21  GLN  81          2HE2      GLN  81  12.174   5.930  12.568
  645   HE22  GLN  81          1HE2      GLN  81  11.752   4.320  12.895
  646    H    ILE  82           H        ILE  82   9.328   4.229   8.198
  647    HA   ILE  82           HA       ILE  82   8.050   5.606   5.902
  648    HB   ILE  82           HB       ILE  82   8.382   3.033   5.014
  649   HG12  ILE  82          1HG1      ILE  82   9.562   2.597   7.344
  650   HG13  ILE  82          2HG1      ILE  82  10.271   1.924   5.887
  651   HG21  ILE  82          1HG2      ILE  82   9.190   4.824   3.678
  652   HG22  ILE  82          2HG2      ILE  82  10.622   3.854   4.027
  653   HG23  ILE  82          3HG2      ILE  82  10.330   5.349   4.919
  654   HD11  ILE  82          3HD1      ILE  82  11.804   3.196   7.609
  655   HD12  ILE  82          1HD1      ILE  82  11.176   4.644   6.833
  656   HD13  ILE  82          2HD1      ILE  82  12.044   3.453   5.881
  657    H    GLY  83           H        GLY  83   6.219   4.573   4.977
  658    HA2  GLY  83           1HA      GLY  83   4.525   2.717   5.371
  659    HA3  GLY  83           2HA      GLY  83   4.451   3.302   7.024
  660    H    LEU  84           H        LEU  84   4.202   4.567   3.683
  661    HA   LEU  84           HA       LEU  84   2.196   6.502   4.636
  662    HB2  LEU  84           1HB      LEU  84   3.995   7.363   3.242
  663    HB3  LEU  84           2HB      LEU  84   3.600   6.208   1.977
  664    HG   LEU  84           HG       LEU  84   1.407   7.269   1.637
  665   HD11  LEU  84          1HD1      LEU  84   1.068   9.546   2.910
  666   HD12  LEU  84          2HD1      LEU  84   2.193   8.870   4.082
  667   HD13  LEU  84          3HD1      LEU  84   0.669   8.050   3.736
  668   HD21  LEU  84          3HD2      LEU  84   2.169   9.404   0.736
  669   HD22  LEU  84          1HD2      LEU  84   3.416   8.187   0.478
  670   HD23  LEU  84          2HD2      LEU  84   3.590   9.372   1.773
  671    H    GLY  85           H        GLY  85   2.357   4.989   1.455
  672    HA2  GLY  85           1HA      GLY  85   0.540   4.344   0.119
  673    HA3  GLY  85           2HA      GLY  85   0.633   2.999   1.250
  674    H    VAL  86           H        VAL  86  -0.936   2.751   2.802
  675    HA   VAL  86           HA       VAL  86  -3.316   4.533   2.626
  676    HB   VAL  86           HB       VAL  86  -3.315   1.682   3.662
  677   HG11  VAL  86          1HG1      VAL  86  -5.398   3.393   2.294
  678   HG12  VAL  86          2HG1      VAL  86  -5.270   3.185   4.039
  679   HG13  VAL  86          3HG1      VAL  86  -5.655   1.807   3.017
  680   HG21  VAL  86          3HG2      VAL  86  -3.531   2.636   0.786
  681   HG22  VAL  86          1HG2      VAL  86  -4.028   1.033   1.328
  682   HG23  VAL  86          2HG2      VAL  86  -2.336   1.516   1.442
  683    H    THR  87           H        THR  87  -4.488   4.984   4.623
  684    HA   THR  87           HA       THR  87  -2.762   5.504   6.819
  685    HB   THR  87           HB       THR  87  -5.755   5.765   6.588
  686    HG1  THR  87           HG1      THR  87  -3.591   7.428   5.858
  687   HG21  THR  87          3HG2      THR  87  -5.386   7.538   8.319
  688   HG22  THR  87          1HG2      THR  87  -3.703   7.022   8.431
  689   HG23  THR  87          2HG2      THR  87  -4.997   5.918   8.894
  Start of MODEL    5
    1    H1   MET   1           1H       MET   1 -19.565 -13.832  10.357
    2    H2   MET   1           2H       MET   1 -18.701 -15.188   9.813
    3    H3   MET   1           3H       MET   1 -19.233 -14.015   8.705
    4    HA   MET   1           HA       MET   1 -17.410 -13.269  10.895
    5    HB2  MET   1           1HB      MET   1 -16.678 -14.510   8.225
    6    HB3  MET   1           2HB      MET   1 -15.535 -13.651   9.257
    7    HG2  MET   1           1HG      MET   1 -15.980 -15.245  11.087
    8    HG3  MET   1           2HG      MET   1 -17.124 -16.107  10.060
    9    HE1  MET   1           3HE      MET   1 -14.197 -18.554  10.345
   10    HE2  MET   1           1HE      MET   1 -15.906 -18.563   9.892
   11    HE3  MET   1           2HE      MET   1 -15.379 -17.714  11.342
   12    H    ASN   2           H        ASN   2 -19.588 -11.885   9.758
   13    HA   ASN   2           HA       ASN   2 -20.143  -9.890   8.774
   14    HB2  ASN   2           1HB      ASN   2 -17.193  -9.332   9.156
   15    HB3  ASN   2           2HB      ASN   2 -18.449  -8.127   8.876
   16   HD21  ASN   2          2HD2      ASN   2 -20.471  -9.433  10.569
   17   HD22  ASN   2          1HD2      ASN   2 -19.958  -9.236  12.176
   18    H    GLU   3           H        GLU   3 -18.786 -12.187   7.160
   19    HA   GLU   3           HA       GLU   3 -18.403 -12.650   4.954
   20    HB2  GLU   3           1HB      GLU   3 -19.469  -9.850   4.461
   21    HB3  GLU   3           2HB      GLU   3 -19.232 -11.095   3.244
   22    HG2  GLU   3           1HG      GLU   3 -20.825 -12.562   4.385
   23    HG3  GLU   3           2HG      GLU   3 -21.039 -11.364   5.660
   24    H    ALA   4           H        ALA   4 -16.920 -10.024   6.517
   25    HA   ALA   4           HA       ALA   4 -15.149  -9.031   4.606
   26    HB1  ALA   4           3HB      ALA   4 -15.569  -8.147   6.954
   27    HB2  ALA   4           1HB      ALA   4 -13.878  -8.177   6.451
   28    HB3  ALA   4           2HB      ALA   4 -14.502  -9.419   7.538
   29    H    LYS   5           H        LYS   5 -13.082  -9.603   3.937
   30    HA   LYS   5           HA       LYS   5 -12.110 -12.299   4.738
   31    HB2  LYS   5           1HB      LYS   5 -13.106 -12.078   2.399
   32    HB3  LYS   5           2HB      LYS   5 -11.754 -11.015   2.018
   33    HG2  LYS   5           1HG      LYS   5 -10.308 -13.054   3.024
   34    HG3  LYS   5           2HG      LYS   5 -11.741 -13.985   2.598
   35    HD2  LYS   5           1HD      LYS   5 -11.577 -13.171   0.271
   36    HD3  LYS   5           2HD      LYS   5 -10.152 -12.226   0.705
   37    HE2  LYS   5           1HE      LYS   5  -9.281 -14.233  -0.242
   38    HE3  LYS   5           2HE      LYS   5  -9.121 -14.466   1.500
   39    HZ1  LYS   5           3HZ      LYS   5 -10.345 -16.170  -0.181
   40    HZ2  LYS   5           1HZ      LYS   5 -11.664 -15.284   0.416
   41    HZ3  LYS   5           2HZ      LYS   5 -10.628 -16.094   1.493
   42    H    GLY   6           H        GLY   6 -11.049  -9.193   3.249
   43    HA2  GLY   6           1HA      GLY   6  -8.324  -9.630   4.339
   44    HA3  GLY   6           2HA      GLY   6  -8.740  -8.584   2.988
   45    H    VAL   7           H        VAL   7  -8.201  -6.581   3.587
   46    HA   VAL   7           HA       VAL   7  -9.381  -5.487   6.078
   47    HB   VAL   7           HB       VAL   7  -6.563  -4.943   5.116
   48   HG11  VAL   7          1HG1      VAL   7  -8.116  -4.136   7.596
   49   HG12  VAL   7          2HG1      VAL   7  -7.530  -3.061   6.325
   50   HG13  VAL   7          3HG1      VAL   7  -6.382  -3.884   7.383
   51   HG21  VAL   7          3HG2      VAL   7  -7.614  -6.674   7.378
   52   HG22  VAL   7          1HG2      VAL   7  -5.918  -6.246   7.150
   53   HG23  VAL   7          2HG2      VAL   7  -6.750  -7.233   5.947
   54    H    TYR   8           H        TYR   8 -10.770  -4.070   5.399
   55    HA   TYR   8           HA       TYR   8 -10.831  -2.775   2.919
   56    HB2  TYR   8           1HB      TYR   8 -11.987  -1.595   5.462
   57    HB3  TYR   8           2HB      TYR   8 -12.580  -1.399   3.814
   58    HD1  TYR   8           HD1      TYR   8 -12.853  -3.886   2.585
   59    HD2  TYR   8           HD2      TYR   8 -13.337  -3.035   6.778
   60    HE1  TYR   8           HE1      TYR   8 -14.261  -5.902   2.835
   61    HE2  TYR   8           HE2      TYR   8 -14.763  -5.044   7.009
   62    HH   TYR   8           HH       TYR   8 -16.237  -6.527   4.620
   63    H    VAL   9           H        VAL   9  -9.889  -0.991   2.075
   64    HA   VAL   9           HA       VAL   9  -7.565   0.078   3.008
   65    HB   VAL   9           HB       VAL   9  -8.363   0.439   0.745
   66   HG11  VAL   9          1HG1      VAL   9 -10.202   1.841   0.181
   67   HG12  VAL   9          2HG1      VAL   9 -10.373   2.409   1.843
   68   HG13  VAL   9          3HG1      VAL   9 -10.784   0.745   1.429
   69   HG21  VAL   9          3HG2      VAL   9  -7.658   2.704   0.428
   70   HG22  VAL   9          1HG2      VAL   9  -6.762   2.096   1.820
   71   HG23  VAL   9          2HG2      VAL   9  -8.150   3.158   2.059
   72    H    MET  10           H        MET  10  -7.066   2.215   3.817
   73    HA   MET  10           HA       MET  10  -8.869   3.023   6.008
   74    HB2  MET  10           1HB      MET  10  -6.660   2.257   6.717
   75    HB3  MET  10           2HB      MET  10  -5.886   3.455   5.672
   76    HG2  MET  10           1HG      MET  10  -6.802   5.262   6.944
   77    HG3  MET  10           2HG      MET  10  -7.872   4.184   7.829
   78    HE1  MET  10           3HE      MET  10  -5.478   6.428   8.774
   79    HE2  MET  10           1HE      MET  10  -5.220   5.662  10.348
   80    HE3  MET  10           2HE      MET  10  -6.848   5.806   9.691
   81    H    SER  11           H        SER  11  -6.436   4.599   3.894
   82    HA   SER  11           HA       SER  11  -8.382   6.705   3.227
   83    HB2  SER  11           1HB      SER  11  -5.799   7.292   4.693
   84    HB3  SER  11           2HB      SER  11  -6.875   8.502   3.999
   85    HG   SER  11           HG       SER  11  -8.534   7.428   5.362
   86    H    VAL  12           H        VAL  12  -7.719   8.063   1.466
   87    HA   VAL  12           HA       VAL  12  -5.407   7.064  -0.107
   88    HB   VAL  12           HB       VAL  12  -8.028   8.155  -1.149
   89   HG11  VAL  12          1HG1      VAL  12  -7.170   7.217  -3.302
   90   HG12  VAL  12          2HG1      VAL  12  -5.652   6.835  -2.490
   91   HG13  VAL  12          3HG1      VAL  12  -6.159   8.514  -2.667
   92   HG21  VAL  12          3HG2      VAL  12  -8.556   5.846  -1.773
   93   HG22  VAL  12          1HG2      VAL  12  -8.331   5.954  -0.033
   94   HG23  VAL  12          2HG2      VAL  12  -7.054   5.284  -1.048
   95    H    LEU  13           H        LEU  13  -3.986   8.622   0.344
   96    HA   LEU  13           HA       LEU  13  -4.696  11.362   0.655
   97    HB2  LEU  13           1HB      LEU  13  -2.114   9.861   0.602
   98    HB3  LEU  13           2HB      LEU  13  -2.078  11.607   0.520
   99    HG   LEU  13           HG       LEU  13  -1.864  10.672   2.846
  100   HD11  LEU  13          1HD1      LEU  13  -4.445  12.248   2.737
  101   HD12  LEU  13          2HD1      LEU  13  -2.930  12.995   2.237
  102   HD13  LEU  13          3HD1      LEU  13  -3.108  12.369   3.869
  103   HD21  LEU  13          3HD2      LEU  13  -4.800   9.962   2.582
  104   HD22  LEU  13          1HD2      LEU  13  -3.711   9.588   3.915
  105   HD23  LEU  13          2HD2      LEU  13  -3.516   8.773   2.365
  106    HA   PRO  14           HA       PRO  14  -4.736  12.390  -3.685
  107    HB2  PRO  14           1HB      PRO  14  -4.608  15.137  -3.550
  108    HB3  PRO  14           2HB      PRO  14  -6.065  14.219  -3.119
  109    HG2  PRO  14           1HG      PRO  14  -3.943  15.336  -1.314
  110    HG3  PRO  14           2HG      PRO  14  -5.710  15.397  -1.136
  111    HD2  PRO  14           1HD      PRO  14  -4.201  13.584   0.213
  112    HD3  PRO  14           2HD      PRO  14  -5.843  13.190  -0.357
  113    H    ASN  15           H        ASN  15  -2.115  13.307  -1.602
  114    HA   ASN  15           HA       ASN  15  -0.347  13.925  -3.911
  115    HB2  ASN  15           1HB      ASN  15  -0.091  14.525  -0.953
  116    HB3  ASN  15           2HB      ASN  15   1.177  14.842  -2.137
  117   HD21  ASN  15          2HD2      ASN  15  -0.199  16.909  -0.591
  118   HD22  ASN  15          1HD2      ASN  15  -1.020  17.892  -1.704
  119    H    MET  16           H        MET  16  -1.138  11.176  -3.201
  120    HA   MET  16           HA       MET  16   1.511  10.129  -2.420
  121    HB2  MET  16           1HB      MET  16  -1.223   9.424  -1.509
  122    HB3  MET  16           2HB      MET  16  -0.201   8.037  -1.840
  123    HG2  MET  16           1HG      MET  16  -0.012   8.770   0.529
  124    HG3  MET  16           2HG      MET  16   1.522   8.904  -0.329
  125    HE1  MET  16           3HE      MET  16   2.952  10.920   0.430
  126    HE2  MET  16           1HE      MET  16   2.073  10.251   1.811
  127    HE3  MET  16           2HE      MET  16   2.212  11.996   1.612
  128    HA   PRO  17           HA       PRO  17   1.668   7.909  -6.197
  129    HB2  PRO  17           1HB      PRO  17   2.458   5.341  -4.948
  130    HB3  PRO  17           2HB      PRO  17   3.429   6.444  -5.940
  131    HG2  PRO  17           1HG      PRO  17   3.834   6.121  -3.259
  132    HG3  PRO  17           2HG      PRO  17   4.177   7.639  -4.115
  133    HD2  PRO  17           1HD      PRO  17   1.804   6.930  -2.402
  134    HD3  PRO  17           2HD      PRO  17   2.717   8.440  -2.502
  135    H    ALA  18           H        ALA  18  -0.451   6.668  -3.730
  136    HA   ALA  18           HA       ALA  18  -1.600   4.563  -5.380
  137    HB1  ALA  18           3HB      ALA  18  -3.012   4.166  -3.459
  138    HB2  ALA  18           1HB      ALA  18  -2.556   5.712  -2.749
  139    HB3  ALA  18           2HB      ALA  18  -1.366   4.422  -2.893
  140    H    ALA  19           H        ALA  19  -2.081   7.891  -4.897
  141    HA   ALA  19           HA       ALA  19  -4.881   8.085  -5.416
  142    HB1  ALA  19           3HB      ALA  19  -3.783  10.000  -4.466
  143    HB2  ALA  19           1HB      ALA  19  -4.367  10.470  -6.058
  144    HB3  ALA  19           2HB      ALA  19  -2.659  10.100  -5.816
  145    H    GLY  20           H        GLY  20  -6.030   8.174  -7.307
  146    HA2  GLY  20           1HA      GLY  20  -6.411   8.389  -9.590
  147    HA3  GLY  20           2HA      GLY  20  -4.677   8.454  -9.879
  148    H    ARG  21           H        ARG  21  -4.547   5.983  -8.016
  149    HA   ARG  21           HA       ARG  21  -5.202   3.943 -10.091
  150    HB2  ARG  21           1HB      ARG  21  -2.969   4.182  -8.067
  151    HB3  ARG  21           2HB      ARG  21  -3.350   2.645  -8.845
  152    HG2  ARG  21           1HG      ARG  21  -2.860   3.508 -11.024
  153    HG3  ARG  21           2HG      ARG  21  -2.818   5.173 -10.439
  154    HD2  ARG  21           1HD      ARG  21  -0.895   3.181  -9.263
  155    HD3  ARG  21           2HD      ARG  21  -0.551   3.868 -10.853
  156    HE   ARG  21           HE       ARG  21  -1.219   5.805  -8.779
  157   HH11  ARG  21          1HH2      ARG  21   1.244   4.032 -10.449
  158   HH12  ARG  21          2HH2      ARG  21   2.508   5.147 -10.056
  159   HH21  ARG  21          1HH1      ARG  21   0.437   7.285  -8.282
  160   HH22  ARG  21          2HH1      ARG  21   2.051   6.988  -8.832
  161    H    LEU  22           H        LEU  22  -5.303   4.763  -6.687
  162    HA   LEU  22           HA       LEU  22  -7.156   2.495  -6.202
  163    HB2  LEU  22           1HB      LEU  22  -4.662   3.218  -4.846
  164    HB3  LEU  22           2HB      LEU  22  -5.988   3.176  -3.694
  165    HG   LEU  22           HG       LEU  22  -5.475   0.904  -5.649
  166   HD11  LEU  22          1HD1      LEU  22  -4.330  -0.242  -3.774
  167   HD12  LEU  22          2HD1      LEU  22  -4.440   1.238  -2.820
  168   HD13  LEU  22          3HD1      LEU  22  -3.457   1.204  -4.285
  169   HD21  LEU  22          3HD2      LEU  22  -6.874   0.985  -2.951
  170   HD22  LEU  22          1HD2      LEU  22  -6.823  -0.375  -4.065
  171   HD23  LEU  22          2HD2      LEU  22  -7.715   1.078  -4.492
  172    H    GLU  23           H        GLU  23  -8.808   2.821  -4.678
  173    HA   GLU  23           HA       GLU  23  -9.397   5.643  -3.975
  174    HB2  GLU  23           1HB      GLU  23 -11.164   3.737  -5.517
  175    HB3  GLU  23           2HB      GLU  23 -11.782   5.179  -4.716
  176    HG2  GLU  23           1HG      GLU  23 -10.251   6.584  -6.053
  177    HG3  GLU  23           2HG      GLU  23  -9.588   5.147  -6.821
  178    H    ALA  24           H        ALA  24 -10.865   5.902  -2.294
  179    HA   ALA  24           HA       ALA  24 -10.617   4.136  -0.146
  180    HB1  ALA  24           3HB      ALA  24 -12.302   5.509   0.958
  181    HB2  ALA  24           1HB      ALA  24 -12.788   6.200  -0.590
  182    HB3  ALA  24           2HB      ALA  24 -11.190   6.548   0.068
  183    H    GLY  25           H        GLY  25 -11.891   2.494   0.616
  184    HA2  GLY  25           1HA      GLY  25 -13.954   1.273   0.779
  185    HA3  GLY  25           2HA      GLY  25 -14.366   1.779  -0.856
  186    H    ASP  26           H        ASP  26 -11.515   1.274  -1.711
  187    HA   ASP  26           HA       ASP  26 -11.884  -1.411  -2.622
  188    HB2  ASP  26           1HB      ASP  26  -9.298   0.164  -2.590
  189    HB3  ASP  26           2HB      ASP  26  -9.715  -1.160  -3.652
  190    H    ARG  27           H        ARG  27 -10.853  -3.329  -1.988
  191    HA   ARG  27           HA       ARG  27  -9.610  -3.300   0.712
  192    HB2  ARG  27           1HB      ARG  27 -10.322  -5.653   0.858
  193    HB3  ARG  27           2HB      ARG  27 -11.689  -4.574   0.615
  194    HG2  ARG  27           1HG      ARG  27 -11.753  -5.130  -1.763
  195    HG3  ARG  27           2HG      ARG  27 -10.324  -6.149  -1.592
  196    HD2  ARG  27           1HD      ARG  27 -11.523  -7.615  -0.033
  197    HD3  ARG  27           2HD      ARG  27 -12.948  -6.593  -0.143
  198    HE   ARG  27           HE       ARG  27 -13.389  -7.467  -2.277
  199   HH11  ARG  27          1HH2      ARG  27 -10.292  -8.479  -1.091
  200   HH12  ARG  27          2HH2      ARG  27 -10.061  -9.676  -2.318
  201   HH21  ARG  27          1HH1      ARG  27 -13.083  -9.035  -3.889
  202   HH22  ARG  27          2HH1      ARG  27 -11.640  -9.989  -3.904
  203    H    ILE  28           H        ILE  28  -7.849  -4.658   1.104
  204    HA   ILE  28           HA       ILE  28  -6.113  -5.053  -1.259
  205    HB   ILE  28           HB       ILE  28  -5.293  -5.341   1.645
  206   HG12  ILE  28          1HG1      ILE  28  -6.264  -3.134   1.468
  207   HG13  ILE  28          2HG1      ILE  28  -4.515  -2.955   1.442
  208   HG21  ILE  28          1HG2      ILE  28  -3.070  -4.790   0.717
  209   HG22  ILE  28          2HG2      ILE  28  -3.776  -4.660  -0.896
  210   HG23  ILE  28          3HG2      ILE  28  -3.749  -6.216  -0.071
  211   HD11  ILE  28          3HD1      ILE  28  -5.284  -1.530  -0.295
  212   HD12  ILE  28          1HD1      ILE  28  -6.458  -2.715  -0.862
  213   HD13  ILE  28          2HD1      ILE  28  -4.736  -2.972  -1.144
  214    H    ALA  29           H        ALA  29  -6.041  -6.977  -2.154
  215    HA   ALA  29           HA       ALA  29  -6.910  -9.370  -0.684
  216    HB1  ALA  29           3HB      ALA  29  -6.727 -10.453  -2.919
  217    HB2  ALA  29           1HB      ALA  29  -6.182  -8.913  -3.586
  218    HB3  ALA  29           2HB      ALA  29  -7.805  -9.057  -2.911
  219    H    ALA  30           H        ALA  30  -4.016  -7.768  -1.538
  220    HA   ALA  30           HA       ALA  30  -2.302  -9.406  -0.111
  221    HB1  ALA  30           3HB      ALA  30  -2.751 -10.397  -2.908
  222    HB2  ALA  30           1HB      ALA  30  -2.474 -11.325  -1.435
  223    HB3  ALA  30           2HB      ALA  30  -1.125 -10.525  -2.235
  224    H    ILE  31           H        ILE  31   0.006  -9.047  -0.566
  225    HA   ILE  31           HA       ILE  31   0.585  -6.710  -2.272
  226    HB   ILE  31           HB       ILE  31   1.409  -6.957   0.633
  227   HG12  ILE  31          1HG1      ILE  31  -0.253  -4.879  -0.812
  228   HG13  ILE  31          2HG1      ILE  31  -0.926  -6.164   0.179
  229   HG21  ILE  31          1HG2      ILE  31   3.266  -6.035  -0.627
  230   HG22  ILE  31          2HG2      ILE  31   2.465  -4.687   0.162
  231   HG23  ILE  31          3HG2      ILE  31   2.190  -4.993  -1.550
  232   HD11  ILE  31          3HD1      ILE  31   0.908  -3.945   1.100
  233   HD12  ILE  31          1HD1      ILE  31   0.434  -5.316   2.096
  234   HD13  ILE  31          2HD1      ILE  31  -0.784  -4.171   1.535
  235    H    ASP  32           H        ASP  32   2.254  -7.047  -3.497
  236    HA   ASP  32           HA       ASP  32   4.059  -8.106  -4.475
  237    HB2  ASP  32           1HB      ASP  32   5.080  -6.862  -2.545
  238    HB3  ASP  32           2HB      ASP  32   5.008  -8.355  -1.613
  239    H    GLY  33           H        GLY  33   1.773  -9.789  -3.343
  240    HA2  GLY  33           1HA      GLY  33   1.416 -12.077  -3.929
  241    HA3  GLY  33           2HA      GLY  33   3.118 -12.408  -3.642
  242    H    GLN  34           H        GLN  34   2.293 -10.507  -1.125
  243    HA   GLN  34           HA       GLN  34   1.953 -12.795   0.656
  244    HB2  GLN  34           1HB      GLN  34   2.399  -9.887   1.339
  245    HB3  GLN  34           2HB      GLN  34   2.506 -11.255   2.447
  246    HG2  GLN  34           1HG      GLN  34   4.249 -10.860  -0.005
  247    HG3  GLN  34           2HG      GLN  34   4.745 -10.530   1.655
  248   HE21  GLN  34          2HE2      GLN  34   4.154 -13.080  -0.693
  249   HE22  GLN  34          1HE2      GLN  34   4.692 -14.360   0.282
  250    HA   PRO  35           HA       PRO  35  -2.434 -11.651   0.987
  251    HB2  PRO  35           1HB      PRO  35  -3.291 -13.606   2.680
  252    HB3  PRO  35           2HB      PRO  35  -2.861 -13.955   0.993
  253    HG2  PRO  35           1HG      PRO  35  -1.226 -14.362   3.477
  254    HG3  PRO  35           2HG      PRO  35  -1.444 -15.449   2.090
  255    HD2  PRO  35           1HD      PRO  35   0.762 -13.819   2.388
  256    HD3  PRO  35           2HD      PRO  35   0.146 -14.333   0.797
  257    H    ILE  36           H        ILE  36  -3.427 -10.181   2.272
  258    HA   ILE  36           HA       ILE  36  -2.244  -9.565   4.912
  259    HB   ILE  36           HB       ILE  36  -4.086  -7.881   3.216
  260   HG12  ILE  36          1HG1      ILE  36  -2.059  -8.282   1.961
  261   HG13  ILE  36          2HG1      ILE  36  -1.991  -6.652   2.601
  262   HG21  ILE  36          1HG2      ILE  36  -2.259  -7.183   5.537
  263   HG22  ILE  36          2HG2      ILE  36  -4.017  -7.281   5.624
  264   HG23  ILE  36          3HG2      ILE  36  -3.256  -6.047   4.636
  265   HD11  ILE  36          3HD1      ILE  36  -0.423  -9.083   3.427
  266   HD12  ILE  36          1HD1      ILE  36  -0.668  -7.786   4.598
  267   HD13  ILE  36          2HD1      ILE  36   0.160  -7.464   3.075
  268    H    ASN  37           H        ASN  37  -3.193 -10.305   6.532
  269    HA   ASN  37           HA       ASN  37  -6.153 -10.673   6.650
  270    HB2  ASN  37           1HB      ASN  37  -4.730 -12.685   7.083
  271    HB3  ASN  37           2HB      ASN  37  -4.053 -11.861   8.488
  272   HD21  ASN  37          2HD2      ASN  37  -5.203 -13.974   9.454
  273   HD22  ASN  37          1HD2      ASN  37  -6.802 -13.742   9.973
  274    H    THR  38           H        THR  38  -3.496  -8.904   8.057
  275    HA   THR  38           HA       THR  38  -5.392  -7.524   9.885
  276    HB   THR  38           HB       THR  38  -3.671  -7.413  11.605
  277    HG1  THR  38           HG1      THR  38  -2.030  -9.297  10.582
  278   HG21  THR  38          3HG2      THR  38  -5.237  -9.368  11.513
  279   HG22  THR  38          1HG2      THR  38  -3.707  -9.709  12.320
  280   HG23  THR  38          2HG2      THR  38  -3.976 -10.269  10.669
  281    H    SER  39           H        SER  39  -4.856  -5.381  10.391
  282    HA   SER  39           HA       SER  39  -3.654  -3.910   8.253
  283    HB2  SER  39           1HB      SER  39  -5.517  -3.008   9.617
  284    HB3  SER  39           2HB      SER  39  -4.458  -2.987  11.026
  285    HG   SER  39           HG       SER  39  -3.475  -1.283  10.256
  286    H    GLU  40           H        GLU  40  -2.650  -5.031  11.430
  287    HA   GLU  40           HA       GLU  40  -0.310  -3.494  11.716
  288    HB2  GLU  40           1HB      GLU  40  -1.413  -4.845  13.518
  289    HB3  GLU  40           2HB      GLU  40  -0.812  -6.303  12.731
  290    HG2  GLU  40           1HG      GLU  40   1.498  -5.512  12.994
  291    HG3  GLU  40           2HG      GLU  40   0.910  -4.029  13.742
  292    H    GLN  41           H        GLN  41  -1.047  -6.349   9.831
  293    HA   GLN  41           HA       GLN  41   1.607  -7.249   9.422
  294    HB2  GLN  41           1HB      GLN  41  -0.451  -8.563   8.883
  295    HB3  GLN  41           2HB      GLN  41  -0.737  -7.484   7.523
  296    HG2  GLN  41           1HG      GLN  41   1.386  -8.126   6.511
  297    HG3  GLN  41           2HG      GLN  41   1.787  -9.114   7.915
  298   HE21  GLN  41          2HE2      GLN  41   1.602 -10.241   5.276
  299   HE22  GLN  41          1HE2      GLN  41   0.274 -11.299   5.250
  300    H    ILE  42           H        ILE  42  -0.313  -4.653   7.976
  301    HA   ILE  42           HA       ILE  42   1.362  -4.237   5.712
  302    HB   ILE  42           HB       ILE  42  -0.577  -2.393   7.123
  303   HG12  ILE  42          1HG1      ILE  42  -1.620  -4.499   6.343
  304   HG13  ILE  42          2HG1      ILE  42  -2.180  -3.121   5.400
  305   HG21  ILE  42          1HG2      ILE  42   0.853  -1.059   5.732
  306   HG22  ILE  42          2HG2      ILE  42  -0.653  -1.281   4.846
  307   HG23  ILE  42          3HG2      ILE  42   0.767  -2.232   4.418
  308   HD11  ILE  42          3HD1      ILE  42  -0.459  -5.414   4.580
  309   HD12  ILE  42          1HD1      ILE  42  -0.115  -3.865   3.826
  310   HD13  ILE  42          2HD1      ILE  42  -1.708  -4.567   3.680
  311    H    VAL  43           H        VAL  43   1.411  -3.161   9.054
  312    HA   VAL  43           HA       VAL  43   3.141  -0.923   8.705
  313    HB   VAL  43           HB       VAL  43   2.649  -2.706  11.108
  314   HG11  VAL  43          1HG1      VAL  43   3.920   0.033  10.836
  315   HG12  VAL  43          2HG1      VAL  43   4.677  -1.433  11.460
  316   HG13  VAL  43          3HG1      VAL  43   3.393  -0.647  12.374
  317   HG21  VAL  43          3HG2      VAL  43   1.410  -0.046  10.331
  318   HG22  VAL  43          1HG2      VAL  43   1.022  -0.998  11.763
  319   HG23  VAL  43          2HG2      VAL  43   0.616  -1.612  10.160
  320    H    SER  44           H        SER  44   3.664  -4.366   9.452
  321    HA   SER  44           HA       SER  44   6.468  -4.155   9.851
  322    HB2  SER  44           1HB      SER  44   4.923  -6.562   8.855
  323    HB3  SER  44           2HB      SER  44   6.502  -6.566   9.638
  324    HG   SER  44           HG       SER  44   5.527  -6.470  11.487
  325    H    TYR  45           H        TYR  45   4.445  -4.797   7.041
  326    HA   TYR  45           HA       TYR  45   6.420  -5.487   5.184
  327    HB2  TYR  45           1HB      TYR  45   3.988  -5.696   4.816
  328    HB3  TYR  45           2HB      TYR  45   3.862  -3.944   4.700
  329    HD1  TYR  45           HD1      TYR  45   5.714  -6.851   3.246
  330    HD2  TYR  45           HD2      TYR  45   4.115  -2.917   2.565
  331    HE1  TYR  45           HE1      TYR  45   6.293  -7.031   0.844
  332    HE2  TYR  45           HE2      TYR  45   4.683  -3.108   0.167
  333    HH   TYR  45           HH       TYR  45   5.029  -5.292  -1.479
  334    H    VAL  46           H        VAL  46   4.927  -2.250   5.596
  335    HA   VAL  46           HA       VAL  46   6.614  -0.876   3.885
  336    HB   VAL  46           HB       VAL  46   6.055   1.143   5.315
  337   HG11  VAL  46          1HG1      VAL  46   3.630   1.062   4.824
  338   HG12  VAL  46          2HG1      VAL  46   3.800  -0.656   4.452
  339   HG13  VAL  46          3HG1      VAL  46   4.625   0.551   3.462
  340   HG21  VAL  46          3HG2      VAL  46   4.344   0.776   7.084
  341   HG22  VAL  46          1HG2      VAL  46   5.919   0.093   7.483
  342   HG23  VAL  46          2HG2      VAL  46   4.629  -0.943   6.911
  343    H    ARG  47           H        ARG  47   7.071  -1.674   7.292
  344    HA   ARG  47           HA       ARG  47   9.451  -0.187   7.672
  345    HB2  ARG  47           1HB      ARG  47   7.772  -1.471   9.344
  346    HB3  ARG  47           2HB      ARG  47   9.003  -2.719   9.236
  347    HG2  ARG  47           1HG      ARG  47   9.440   0.171  10.065
  348    HG3  ARG  47           2HG      ARG  47   9.441  -1.225  11.138
  349    HD2  ARG  47           1HD      ARG  47  11.359  -2.141   9.657
  350    HD3  ARG  47           2HD      ARG  47  11.462  -0.505   9.007
  351    HE   ARG  47           HE       ARG  47  12.431   0.172  10.996
  352   HH11  ARG  47          1HH2      ARG  47  10.843  -2.882  11.365
  353   HH12  ARG  47          2HH2      ARG  47  11.363  -3.116  12.999
  354   HH21  ARG  47          1HH1      ARG  47  13.113  -0.123  13.150
  355   HH22  ARG  47          2HH1      ARG  47  12.646  -1.552  14.009
  356    H    GLU  48           H        GLU  48   8.852  -3.535   6.630
  357    HA   GLU  48           HA       GLU  48  11.446  -4.537   6.682
  358    HB2  GLU  48           1HB      GLU  48   9.348  -5.824   6.122
  359    HB3  GLU  48           2HB      GLU  48   9.400  -5.100   4.518
  360    HG2  GLU  48           1HG      GLU  48  10.462  -7.249   4.339
  361    HG3  GLU  48           2HG      GLU  48  11.748  -6.053   4.270
  362    H    LYS  49           H        LYS  49   9.806  -2.749   4.078
  363    HA   LYS  49           HA       LYS  49  12.199  -2.670   2.428
  364    HB2  LYS  49           1HB      LYS  49   9.671  -1.054   1.989
  365    HB3  LYS  49           2HB      LYS  49  10.841  -1.591   0.799
  366    HG2  LYS  49           1HG      LYS  49   9.119  -3.512   2.410
  367    HG3  LYS  49           2HG      LYS  49   8.682  -2.907   0.826
  368    HD2  LYS  49           1HD      LYS  49  10.756  -3.845  -0.122
  369    HD3  LYS  49           2HD      LYS  49  11.186  -4.483   1.464
  370    HE2  LYS  49           1HE      LYS  49   9.163  -5.860   1.491
  371    HE3  LYS  49           2HE      LYS  49   8.690  -5.210  -0.081
  372    HZ1  LYS  49           3HZ      LYS  49   9.832  -6.940  -0.886
  373    HZ2  LYS  49           1HZ      LYS  49  10.669  -7.205   0.564
  374    HZ3  LYS  49           2HZ      LYS  49  11.217  -6.023  -0.526
  375    H    GLN  50           H        GLN  50  12.375  -0.224   1.409
  376    HA   GLN  50           HA       GLN  50  12.840   1.628   3.678
  377    HB2  GLN  50           1HB      GLN  50  14.945   0.501   3.049
  378    HB3  GLN  50           2HB      GLN  50  14.739   1.056   1.392
  379    HG2  GLN  50           1HG      GLN  50  15.075   3.331   1.981
  380    HG3  GLN  50           2HG      GLN  50  14.810   3.019   3.700
  381   HE21  GLN  50          2HE2      GLN  50  16.799   3.414   4.689
  382   HE22  GLN  50          1HE2      GLN  50  18.287   2.804   4.147
  383    H    ALA  51           H        ALA  51  13.377   3.886   2.824
  384    HA   ALA  51           HA       ALA  51  11.189   4.831   1.308
  385    HB1  ALA  51           3HB      ALA  51  13.786   6.014   2.305
  386    HB2  ALA  51           1HB      ALA  51  12.155   6.327   2.892
  387    HB3  ALA  51           2HB      ALA  51  12.677   6.972   1.330
  388    H    GLY  52           H        GLY  52  11.012   5.268  -0.873
  389    HA2  GLY  52           1HA      GLY  52  11.741   5.715  -3.039
  390    HA3  GLY  52           2HA      GLY  52  13.390   5.311  -2.576
  391    H    ASP  53           H        ASP  53  11.501   2.930  -1.288
  392    HA   ASP  53           HA       ASP  53  12.370   0.981  -3.204
  393    HB2  ASP  53           1HB      ASP  53  12.129   0.513  -0.785
  394    HB3  ASP  53           2HB      ASP  53  10.390   0.671  -0.930
  395    H    ARG  54           H        ARG  54  10.549  -0.743  -3.813
  396    HA   ARG  54           HA       ARG  54   8.172   0.616  -4.964
  397    HB2  ARG  54           1HB      ARG  54  10.051  -1.219  -6.485
  398    HB3  ARG  54           2HB      ARG  54   8.547  -0.535  -7.101
  399    HG2  ARG  54           1HG      ARG  54   9.455   1.727  -6.806
  400    HG3  ARG  54           2HG      ARG  54  10.955   1.050  -6.188
  401    HD2  ARG  54           1HD      ARG  54   9.829   0.449  -8.938
  402    HD3  ARG  54           2HD      ARG  54  11.063   1.666  -8.621
  403    HE   ARG  54           HE       ARG  54  11.944  -0.746  -7.502
  404   HH11  ARG  54          1HH2      ARG  54  11.192   0.640 -10.590
  405   HH12  ARG  54          2HH2      ARG  54  12.326  -0.340 -11.457
  406   HH21  ARG  54          1HH1      ARG  54  13.430  -2.034  -8.639
  407   HH22  ARG  54          2HH1      ARG  54  13.592  -1.854 -10.352
  408    H    VAL  55           H        VAL  55   6.426  -0.504  -4.421
  409    HA   VAL  55           HA       VAL  55   6.625  -3.449  -4.161
  410    HB   VAL  55           HB       VAL  55   5.052  -3.255  -2.194
  411   HG11  VAL  55          1HG1      VAL  55   6.860  -2.656  -0.624
  412   HG12  VAL  55          2HG1      VAL  55   7.775  -1.943  -1.946
  413   HG13  VAL  55          3HG1      VAL  55   7.467  -3.679  -1.924
  414   HG21  VAL  55          3HG2      VAL  55   5.024  -1.064  -1.034
  415   HG22  VAL  55          1HG2      VAL  55   4.265  -0.963  -2.619
  416   HG23  VAL  55          2HG2      VAL  55   5.900  -0.344  -2.380
  417    H    ARG  56           H        ARG  56   5.198  -4.526  -5.095
  418    HA   ARG  56           HA       ARG  56   2.992  -3.292  -6.596
  419    HB2  ARG  56           1HB      ARG  56   3.946  -6.170  -6.476
  420    HB3  ARG  56           2HB      ARG  56   2.683  -5.567  -7.545
  421    HG2  ARG  56           1HG      ARG  56   5.472  -4.368  -7.565
  422    HG3  ARG  56           2HG      ARG  56   5.081  -5.785  -8.529
  423    HD2  ARG  56           1HD      ARG  56   3.212  -4.465  -9.599
  424    HD3  ARG  56           2HD      ARG  56   3.787  -3.043  -8.737
  425    HE   ARG  56           HE       ARG  56   5.540  -2.885 -10.234
  426   HH11  ARG  56          1HH2      ARG  56   4.102  -6.034 -10.370
  427   HH12  ARG  56          2HH2      ARG  56   4.978  -6.524 -11.781
  428   HH21  ARG  56          1HH1      ARG  56   6.693  -3.525 -12.085
  429   HH22  ARG  56          2HH1      ARG  56   6.443  -5.102 -12.752
  430    H    VAL  57           H        VAL  57   1.119  -3.028  -5.743
  431    HA   VAL  57           HA       VAL  57   0.207  -4.725  -3.476
  432    HB   VAL  57           HB       VAL  57  -0.535  -1.915  -4.322
  433   HG11  VAL  57          1HG1      VAL  57  -1.768  -3.758  -2.252
  434   HG12  VAL  57          2HG1      VAL  57  -2.584  -2.819  -3.498
  435   HG13  VAL  57          3HG1      VAL  57  -1.881  -2.004  -2.102
  436   HG21  VAL  57          3HG2      VAL  57   0.420  -1.353  -2.094
  437   HG22  VAL  57          1HG2      VAL  57   1.609  -2.119  -3.147
  438   HG23  VAL  57          2HG2      VAL  57   0.838  -3.046  -1.863
  439    H    THR  58           H        THR  58  -1.589  -5.931  -3.642
  440    HA   THR  58           HA       THR  58  -3.112  -5.871  -6.197
  441    HB   THR  58           HB       THR  58  -3.022  -8.034  -4.068
  442    HG1  THR  58           HG1      THR  58  -1.031  -8.073  -4.876
  443   HG21  THR  58          3HG2      THR  58  -3.917  -9.425  -5.907
  444   HG22  THR  58          1HG2      THR  58  -3.972  -7.999  -6.942
  445   HG23  THR  58          2HG2      THR  58  -4.998  -8.091  -5.511
  446    H    PHE  59           H        PHE  59  -5.230  -5.294  -6.172
  447    HA   PHE  59           HA       PHE  59  -6.782  -5.427  -3.683
  448    HB2  PHE  59           1HB      PHE  59  -7.418  -3.123  -3.662
  449    HB3  PHE  59           2HB      PHE  59  -5.663  -3.140  -3.747
  450    HD1  PHE  59           HD1      PHE  59  -4.483  -2.554  -5.861
  451    HD2  PHE  59           HD2      PHE  59  -8.776  -2.384  -5.569
  452    HE1  PHE  59           HE1      PHE  59  -4.589  -1.227  -7.955
  453    HE2  PHE  59           HE2      PHE  59  -8.861  -1.051  -7.639
  454    HZ   PHE  59           HZ       PHE  59  -6.771  -0.465  -8.837
  455    H    ILE  60           H        ILE  60  -9.111  -5.338  -4.092
  456    HA   ILE  60           HA       ILE  60  -9.827  -5.886  -6.907
  457    HB   ILE  60           HB       ILE  60 -10.718  -6.950  -4.233
  458   HG12  ILE  60          1HG1      ILE  60 -10.734  -9.069  -5.455
  459   HG13  ILE  60          2HG1      ILE  60 -10.528  -8.213  -6.982
  460   HG21  ILE  60          1HG2      ILE  60 -12.864  -6.156  -4.938
  461   HG22  ILE  60          2HG2      ILE  60 -12.834  -7.855  -5.405
  462   HG23  ILE  60          3HG2      ILE  60 -12.558  -6.602  -6.615
  463   HD11  ILE  60          3HD1      ILE  60  -8.432  -9.278  -5.748
  464   HD12  ILE  60          1HD1      ILE  60  -8.480  -7.784  -4.812
  465   HD13  ILE  60          2HD1      ILE  60  -8.291  -7.726  -6.562
  466    H    ARG  61           H        ARG  61 -11.372  -4.780  -7.886
  467    HA   ARG  61           HA       ARG  61 -13.040  -2.882  -6.397
  468    HB2  ARG  61           1HB      ARG  61 -11.153  -1.530  -7.056
  469    HB3  ARG  61           2HB      ARG  61 -11.216  -2.147  -8.701
  470    HG2  ARG  61           1HG      ARG  61 -13.384  -1.081  -9.067
  471    HG3  ARG  61           2HG      ARG  61 -13.465  -0.601  -7.372
  472    HD2  ARG  61           1HD      ARG  61 -11.399   0.769  -7.724
  473    HD3  ARG  61           2HD      ARG  61 -11.469   0.356  -9.437
  474    HE   ARG  61           HE       ARG  61 -13.232   1.850  -9.684
  475   HH11  ARG  61          1HH2      ARG  61 -12.660   1.134  -6.346
  476   HH12  ARG  61          2HH2      ARG  61 -13.794   2.303  -5.757
  477   HH21  ARG  61          1HH1      ARG  61 -14.735   3.377  -8.917
  478   HH22  ARG  61          2HH1      ARG  61 -14.970   3.570  -7.213
  479    H    ASP  62           H        ASP  62 -15.017  -3.206  -6.957
  480    HA   ASP  62           HA       ASP  62 -16.918  -3.901  -8.094
  481    HB2  ASP  62           1HB      ASP  62 -15.250  -2.837 -10.386
  482    HB3  ASP  62           2HB      ASP  62 -16.930  -3.329 -10.565
  483    H    ARG  63           H        ARG  63 -15.047  -5.984  -7.517
  484    HA   ARG  63           HA       ARG  63 -14.742  -8.172  -7.945
  485    HB2  ARG  63           1HB      ARG  63 -16.598  -7.862 -10.301
  486    HB3  ARG  63           2HB      ARG  63 -16.200  -9.334  -9.445
  487    HG2  ARG  63           1HG      ARG  63 -17.643  -6.967  -8.201
  488    HG3  ARG  63           2HG      ARG  63 -18.440  -8.409  -8.814
  489    HD2  ARG  63           1HD      ARG  63 -16.532  -8.211  -6.473
  490    HD3  ARG  63           2HD      ARG  63 -18.209  -8.725  -6.453
  491    HE   ARG  63           HE       ARG  63 -15.925 -10.351  -7.137
  492   HH11  ARG  63          1HH2      ARG  63 -19.309  -9.807  -7.593
  493   HH12  ARG  63          2HH2      ARG  63 -19.655 -11.442  -8.048
  494   HH21  ARG  63          1HH1      ARG  63 -16.366 -12.502  -7.745
  495   HH22  ARG  63          2HH1      ARG  63 -17.988 -12.967  -8.135
  496    H    LYS  64           H        LYS  64 -13.480  -5.803  -9.634
  497    HA   LYS  64           HA       LYS  64 -12.135  -7.516 -11.648
  498    HB2  LYS  64           1HB      LYS  64 -12.186  -4.494 -11.489
  499    HB3  LYS  64           2HB      LYS  64 -11.540  -5.477 -12.801
  500    HG2  LYS  64           1HG      LYS  64 -13.900  -6.447 -13.055
  501    HG3  LYS  64           2HG      LYS  64 -14.437  -5.167 -11.970
  502    HD2  LYS  64           1HD      LYS  64 -12.949  -4.697 -14.568
  503    HD3  LYS  64           2HD      LYS  64 -14.695  -4.584 -14.385
  504    HE2  LYS  64           1HE      LYS  64 -14.265  -2.846 -12.560
  505    HE3  LYS  64           2HE      LYS  64 -12.587  -2.829 -13.100
  506    HZ1  LYS  64           3HZ      LYS  64 -14.788  -2.472 -15.023
  507    HZ2  LYS  64           1HZ      LYS  64 -13.166  -1.995 -15.157
  508    HZ3  LYS  64           2HZ      LYS  64 -14.214  -1.159 -14.113
  509    H    GLN  65           H        GLN  65 -10.244  -8.248 -11.003
  510    HA   GLN  65           HA       GLN  65  -8.784  -7.203  -8.794
  511    HB2  GLN  65           1HB      GLN  65  -8.039  -9.252 -10.897
  512    HB3  GLN  65           2HB      GLN  65  -7.104  -8.921  -9.439
  513    HG2  GLN  65           1HG      GLN  65  -8.972  -9.588  -8.043
  514    HG3  GLN  65           2HG      GLN  65  -9.998  -9.814  -9.451
  515   HE21  GLN  65          2HE2      GLN  65  -9.621 -11.718 -10.778
  516   HE22  GLN  65          1HE2      GLN  65  -8.632 -12.989 -10.241
  517    H    HIS  66           H        HIS  66  -7.249  -5.677  -8.782
  518    HA   HIS  66           HA       HIS  66  -5.681  -5.101 -11.217
  519    HB2  HIS  66           1HB      HIS  66  -7.196  -3.000  -9.658
  520    HB3  HIS  66           2HB      HIS  66  -6.028  -2.671 -10.936
  521    HD1  HIS  66           HD1      HIS  66  -6.697  -3.735 -13.364
  522    HD2  HIS  66           HD2      HIS  66  -9.731  -3.441 -10.543
  523    HE1  HIS  66           HE1      HIS  66  -8.877  -3.943 -14.642
  524    HE2  HIS  66           HE2      HIS  66 -10.746  -3.775 -12.929
  525    H    GLU  67           H        GLU  67  -3.663  -4.528 -10.817
  526    HA   GLU  67           HA       GLU  67  -2.643  -4.560  -8.095
  527    HB2  GLU  67           1HB      GLU  67  -1.268  -4.675 -10.785
  528    HB3  GLU  67           2HB      GLU  67  -0.413  -4.673  -9.243
  529    HG2  GLU  67           1HG      GLU  67  -1.558  -6.725  -8.569
  530    HG3  GLU  67           2HG      GLU  67  -2.496  -6.718 -10.060
  531    H    ALA  68           H        ALA  68  -1.690  -2.891  -7.120
  532    HA   ALA  68           HA       ALA  68  -1.687  -0.243  -8.454
  533    HB1  ALA  68           3HB      ALA  68  -2.376  -1.169  -5.695
  534    HB2  ALA  68           1HB      ALA  68  -3.126   0.096  -6.661
  535    HB3  ALA  68           2HB      ALA  68  -1.609   0.414  -5.825
  536    H    GLU  69           H        GLU  69   0.195   0.436  -8.991
  537    HA   GLU  69           HA       GLU  69   2.679  -0.580  -7.879
  538    HB2  GLU  69           1HB      GLU  69   3.647   1.328  -9.412
  539    HB3  GLU  69           2HB      GLU  69   2.902  -0.077 -10.175
  540    HG2  GLU  69           1HG      GLU  69   0.857   1.098 -10.569
  541    HG3  GLU  69           2HG      GLU  69   1.345   2.441  -9.544
  542    H    LEU  70           H        LEU  70   3.045  -0.002  -5.864
  543    HA   LEU  70           HA       LEU  70   2.848   2.860  -5.059
  544    HB2  LEU  70           1HB      LEU  70   1.996   0.386  -3.755
  545    HB3  LEU  70           2HB      LEU  70   3.048   1.289  -2.687
  546    HG   LEU  70           HG       LEU  70   0.707   2.620  -4.102
  547   HD11  LEU  70          1HD1      LEU  70  -0.544   2.300  -1.942
  548   HD12  LEU  70          2HD1      LEU  70   0.713   1.169  -1.442
  549   HD13  LEU  70          3HD1      LEU  70  -0.288   0.809  -2.847
  550   HD21  LEU  70          3HD2      LEU  70   0.973   4.314  -2.410
  551   HD22  LEU  70          1HD2      LEU  70   2.596   3.961  -2.992
  552   HD23  LEU  70          2HD2      LEU  70   2.049   3.292  -1.460
  553    H    VAL  71           H        VAL  71   4.448   3.819  -3.971
  554    HA   VAL  71           HA       VAL  71   7.040   2.422  -3.730
  555    HB   VAL  71           HB       VAL  71   8.161   4.437  -4.528
  556   HG11  VAL  71          1HG1      VAL  71   7.386   2.627  -6.118
  557   HG12  VAL  71          2HG1      VAL  71   7.614   4.205  -6.868
  558   HG13  VAL  71          3HG1      VAL  71   5.990   3.634  -6.485
  559   HG21  VAL  71          3HG2      VAL  71   6.774   6.233  -5.614
  560   HG22  VAL  71          1HG2      VAL  71   6.574   6.159  -3.865
  561   HG23  VAL  71          2HG2      VAL  71   5.351   5.469  -4.929
  562    H    LEU  72           H        LEU  72   8.064   2.740  -1.889
  563    HA   LEU  72           HA       LEU  72   6.747   3.921   0.326
  564    HB2  LEU  72           1HB      LEU  72   9.517   2.825  -0.155
  565    HB3  LEU  72           2HB      LEU  72   9.114   3.564   1.388
  566    HG   LEU  72           HG       LEU  72   8.821   1.093   1.371
  567   HD11  LEU  72          1HD1      LEU  72   6.003   2.071   1.684
  568   HD12  LEU  72          2HD1      LEU  72   7.220   2.897   2.640
  569   HD13  LEU  72          3HD1      LEU  72   7.018   1.168   2.798
  570   HD21  LEU  72          3HD2      LEU  72   8.036   1.070  -1.084
  571   HD22  LEU  72          1HD2      LEU  72   6.450   1.540  -0.466
  572   HD23  LEU  72          2HD2      LEU  72   7.171   0.010   0.026
  573    H    LYS  73           H        LYS  73   6.662   5.976   0.969
  574    HA   LYS  73           HA       LYS  73   8.827   7.824   0.192
  575    HB2  LYS  73           1HB      LYS  73   6.860   8.086  -1.295
  576    HB3  LYS  73           2HB      LYS  73   5.884   8.472   0.123
  577    HG2  LYS  73           1HG      LYS  73   7.248  10.421   0.607
  578    HG3  LYS  73           2HG      LYS  73   8.383   9.997  -0.675
  579    HD2  LYS  73           1HD      LYS  73   6.682  10.338  -2.371
  580    HD3  LYS  73           2HD      LYS  73   5.453  10.613  -1.135
  581    HE2  LYS  73           1HE      LYS  73   6.544  12.641  -0.402
  582    HE3  LYS  73           2HE      LYS  73   7.933  12.328  -1.443
  583    HZ1  LYS  73           3HZ      LYS  73   5.317  12.404  -2.718
  584    HZ2  LYS  73           1HZ      LYS  73   6.819  12.954  -3.283
  585    HZ3  LYS  73           2HZ      LYS  73   5.941  13.885  -2.166
  586    HA   PRO  74           HA       PRO  74   8.261   8.445   4.692
  587    HB2  PRO  74           1HB      PRO  74  10.520   9.867   5.199
  588    HB3  PRO  74           2HB      PRO  74  10.571   8.130   4.860
  589    HG2  PRO  74           1HG      PRO  74  11.137  10.436   3.029
  590    HG3  PRO  74           2HG      PRO  74  12.024   8.909   3.217
  591    HD2  PRO  74           1HD      PRO  74  10.205   9.350   1.197
  592    HD3  PRO  74           2HD      PRO  74  10.544   7.735   1.853
  593    H    PHE  75           H        PHE  75   8.791  10.619   6.111
  594    HA   PHE  75           HA       PHE  75   7.383  12.869   4.767
  595    HB2  PHE  75           1HB      PHE  75   6.922  11.651   7.490
  596    HB3  PHE  75           2HB      PHE  75   6.414  13.302   7.138
  597    HD1  PHE  75           HD1      PHE  75   6.064   9.753   6.053
  598    HD2  PHE  75           HD2      PHE  75   4.447  13.732   5.824
  599    HE1  PHE  75           HE1      PHE  75   4.059   8.881   4.878
  600    HE2  PHE  75           HE2      PHE  75   2.440  12.851   4.668
  601    HZ   PHE  75           HZ       PHE  75   2.247  10.427   4.196
  602    HA   PRO  76           HA       PRO  76  10.830  15.313   6.175
  603    HB2  PRO  76           1HB      PRO  76   9.716  17.837   6.203
  604    HB3  PRO  76           2HB      PRO  76  10.139  16.983   4.704
  605    HG2  PRO  76           1HG      PRO  76   7.463  17.243   6.038
  606    HG3  PRO  76           2HG      PRO  76   7.873  17.369   4.314
  607    HD2  PRO  76           1HD      PRO  76   6.803  15.093   5.387
  608    HD3  PRO  76           2HD      PRO  76   7.946  15.049   4.024
  609    H    HIS  77           H        HIS  77   7.727  15.681   7.834
  610    HA   HIS  77           HA       HIS  77   8.901  16.834  10.229
  611    HB2  HIS  77           1HB      HIS  77   6.119  15.735   9.751
  612    HB3  HIS  77           2HB      HIS  77   6.635  16.706  11.130
  613    HD1  HIS  77           HD1      HIS  77   5.586  16.957   7.584
  614    HD2  HIS  77           HD2      HIS  77   7.304  19.458  10.444
  615    HE1  HIS  77           HE1      HIS  77   5.399  19.314   6.679
  616    HE2  HIS  77           HE2      HIS  77   6.442  20.851   8.410
  617    H    HIS  78           H        HIS  78   7.974  13.679   9.041
  618    HA   HIS  78           HA       HIS  78   9.082  12.411  11.483
  619    HB2  HIS  78           1HB      HIS  78   6.530  11.572  10.093
  620    HB3  HIS  78           2HB      HIS  78   7.265  10.803  11.501
  621    HD1  HIS  78           HD1      HIS  78   5.612  14.050  10.451
  622    HD2  HIS  78           HD2      HIS  78   6.730  12.072  13.948
  623    HE1  HIS  78           HE1      HIS  78   4.634  15.380  12.370
  624    HE2  HIS  78           HE2      HIS  78   5.307  14.189  14.509
  625    HA   PRO  79           HA       PRO  79  10.576  10.728   7.329
  626    HB2  PRO  79           1HB      PRO  79  13.300  10.976   7.848
  627    HB3  PRO  79           2HB      PRO  79  12.330  12.222   7.035
  628    HG2  PRO  79           1HG      PRO  79  13.152  12.048   9.914
  629    HG3  PRO  79           2HG      PRO  79  13.113  13.464   8.844
  630    HD2  PRO  79           1HD      PRO  79  11.158  13.015  10.672
  631    HD3  PRO  79           2HD      PRO  79  10.792  13.754   9.101
  632    H    ASN  80           H        ASN  80  11.402  10.188  10.641
  633    HA   ASN  80           HA       ASN  80  12.799   7.791  10.505
  634    HB2  ASN  80           1HB      ASN  80  12.512   9.071  12.587
  635    HB3  ASN  80           2HB      ASN  80  10.799   8.658  12.606
  636   HD21  ASN  80          2HD2      ASN  80  14.019   7.032  12.506
  637   HD22  ASN  80          1HD2      ASN  80  13.536   5.704  13.444
  638    H    GLN  81           H        GLN  81   9.569   8.426   9.575
  639    HA   GLN  81           HA       GLN  81   8.838   5.562   9.700
  640    HB2  GLN  81           1HB      GLN  81   7.182   8.097   9.690
  641    HB3  GLN  81           2HB      GLN  81   6.490   6.483   9.472
  642    HG2  GLN  81           1HG      GLN  81   7.440   5.781  11.643
  643    HG3  GLN  81           2HG      GLN  81   8.106   7.395  11.873
  644   HE21  GLN  81          2HE2      GLN  81   6.555   7.015  13.908
  645   HE22  GLN  81          1HE2      GLN  81   4.971   7.595  13.718
  646    H    ILE  82           H        ILE  82   7.283   4.998   7.902
  647    HA   ILE  82           HA       ILE  82   8.197   6.188   5.340
  648    HB   ILE  82           HB       ILE  82   7.216   3.422   5.087
  649   HG12  ILE  82          1HG1      ILE  82   8.131   3.190   7.385
  650   HG13  ILE  82          2HG1      ILE  82   9.078   2.297   6.208
  651   HG21  ILE  82          1HG2      ILE  82   9.292   3.162   3.834
  652   HG22  ILE  82          2HG2      ILE  82   9.916   4.675   4.499
  653   HG23  ILE  82          3HG2      ILE  82   8.539   4.702   3.411
  654   HD11  ILE  82          3HD1      ILE  82  10.937   3.406   6.825
  655   HD12  ILE  82          1HD1      ILE  82  10.006   4.257   8.054
  656   HD13  ILE  82          2HD1      ILE  82  10.198   4.960   6.446
  657    H    GLY  83           H        GLY  83   6.567   5.257   3.543
  658    HA2  GLY  83           1HA      GLY  83   4.313   6.811   3.608
  659    HA3  GLY  83           2HA      GLY  83   4.458   5.366   2.615
  660    H    LEU  84           H        LEU  84   3.355   6.657   5.652
  661    HA   LEU  84           HA       LEU  84   1.904   4.186   6.352
  662    HB2  LEU  84           1HB      LEU  84   1.679   5.081   8.552
  663    HB3  LEU  84           2HB      LEU  84   3.330   5.396   8.055
  664    HG   LEU  84           HG       LEU  84   2.600   7.393   9.123
  665   HD11  LEU  84          1HD1      LEU  84   3.787   7.744   6.963
  666   HD12  LEU  84          2HD1      LEU  84   2.765   9.091   7.435
  667   HD13  LEU  84          3HD1      LEU  84   2.227   7.986   6.184
  668   HD21  LEU  84          3HD2      LEU  84   0.012   6.733   8.638
  669   HD22  LEU  84          1HD2      LEU  84   0.211   7.986   7.411
  670   HD23  LEU  84          2HD2      LEU  84   0.519   8.347   9.101
  671    H    GLY  85           H        GLY  85   1.363   6.911   4.564
  672    HA2  GLY  85           1HA      GLY  85  -1.156   7.815   5.435
  673    HA3  GLY  85           2HA      GLY  85  -0.506   8.005   3.811
  674    H    VAL  86           H        VAL  86  -0.211   5.151   3.372
  675    HA   VAL  86           HA       VAL  86  -3.054   4.458   2.871
  676    HB   VAL  86           HB       VAL  86  -0.559   3.453   1.481
  677   HG11  VAL  86          1HG1      VAL  86  -2.248   2.739  -0.233
  678   HG12  VAL  86          2HG1      VAL  86  -3.526   3.213   0.885
  679   HG13  VAL  86          3HG1      VAL  86  -2.427   1.901   1.308
  680   HG21  VAL  86          3HG2      VAL  86  -2.548   5.614   0.713
  681   HG22  VAL  86          1HG2      VAL  86  -1.309   4.965  -0.362
  682   HG23  VAL  86          2HG2      VAL  86  -0.841   5.850   1.089
  683    H    THR  87           H        THR  87  -3.822   2.451   3.370
  684    HA   THR  87           HA       THR  87  -2.098   0.697   5.040
  685    HB   THR  87           HB       THR  87  -5.065   1.176   5.340
  686    HG1  THR  87           HG1      THR  87  -3.091   1.960   7.173
  687   HG21  THR  87          3HG2      THR  87  -4.655  -0.003   7.528
  688   HG22  THR  87          1HG2      THR  87  -3.027  -0.377   6.961
  689   HG23  THR  87          2HG2      THR  87  -4.428  -1.027   6.111
  Start of MODEL    6
    1    H1   MET   1           1H       MET   1 -11.949 -12.565  13.740
    2    H2   MET   1           2H       MET   1 -12.004 -11.360  14.935
    3    H3   MET   1           3H       MET   1 -11.015 -11.161  13.569
    4    HA   MET   1           HA       MET   1 -13.324 -11.474  12.337
    5    HB2  MET   1           1HB      MET   1 -13.956 -10.188  15.011
    6    HB3  MET   1           2HB      MET   1 -15.050 -10.248  13.632
    7    HG2  MET   1           1HG      MET   1 -15.706 -12.071  15.022
    8    HG3  MET   1           2HG      MET   1 -14.774 -12.809  13.721
    9    HE1  MET   1           3HE      MET   1 -15.309 -14.475  15.808
   10    HE2  MET   1           1HE      MET   1 -15.338 -13.481  17.272
   11    HE3  MET   1           2HE      MET   1 -14.140 -14.760  17.093
   12    H    ASN   2           H        ASN   2 -10.917 -10.282  11.998
   13    HA   ASN   2           HA       ASN   2 -11.058  -7.417  12.368
   14    HB2  ASN   2           1HB      ASN   2  -8.916  -8.656  12.437
   15    HB3  ASN   2           2HB      ASN   2  -9.128  -9.085  10.743
   16   HD21  ASN   2          2HD2      ASN   2  -6.869  -7.581  11.550
   17   HD22  ASN   2          1HD2      ASN   2  -7.007  -6.002  10.935
   18    H    GLU   3           H        GLU   3 -13.206  -7.425  11.183
   19    HA   GLU   3           HA       GLU   3 -14.387  -6.511   9.439
   20    HB2  GLU   3           1HB      GLU   3 -11.747  -6.362   7.946
   21    HB3  GLU   3           2HB      GLU   3 -13.246  -5.541   7.535
   22    HG2  GLU   3           1HG      GLU   3 -13.187  -4.223   9.544
   23    HG3  GLU   3           2HG      GLU   3 -11.834  -5.149  10.184
   24    H    ALA   4           H        ALA   4 -13.904  -6.981   6.593
   25    HA   ALA   4           HA       ALA   4 -15.172  -9.495   6.356
   26    HB1  ALA   4           3HB      ALA   4 -15.351  -7.417   4.845
   27    HB2  ALA   4           1HB      ALA   4 -15.295  -8.986   4.044
   28    HB3  ALA   4           2HB      ALA   4 -13.855  -7.976   4.108
   29    H    LYS   5           H        LYS   5 -13.554  -9.990   3.788
   30    HA   LYS   5           HA       LYS   5 -12.031 -12.150   4.739
   31    HB2  LYS   5           1HB      LYS   5 -11.986 -10.699   2.090
   32    HB3  LYS   5           2HB      LYS   5 -11.098 -12.184   2.398
   33    HG2  LYS   5           1HG      LYS   5 -13.191 -13.353   2.930
   34    HG3  LYS   5           2HG      LYS   5 -14.095 -11.862   2.699
   35    HD2  LYS   5           1HD      LYS   5 -14.350 -13.067   0.651
   36    HD3  LYS   5           2HD      LYS   5 -13.165 -11.816   0.309
   37    HE2  LYS   5           1HE      LYS   5 -11.346 -13.374   0.387
   38    HE3  LYS   5           2HE      LYS   5 -12.347 -14.617   1.132
   39    HZ1  LYS   5           3HZ      LYS   5 -13.552 -13.816  -1.258
   40    HZ2  LYS   5           1HZ      LYS   5 -12.885 -15.324  -0.873
   41    HZ3  LYS   5           2HZ      LYS   5 -11.916 -14.125  -1.581
   42    H    GLY   6           H        GLY   6 -10.960  -8.955   3.504
   43    HA2  GLY   6           1HA      GLY   6  -8.312  -9.420   4.807
   44    HA3  GLY   6           2HA      GLY   6  -8.495  -8.584   3.274
   45    H    VAL   7           H        VAL   7  -8.280  -6.471   3.442
   46    HA   VAL   7           HA       VAL   7  -9.429  -5.045   5.767
   47    HB   VAL   7           HB       VAL   7  -6.695  -4.505   4.579
   48   HG11  VAL   7          1HG1      VAL   7  -6.542  -3.122   6.775
   49   HG12  VAL   7          2HG1      VAL   7  -8.300  -3.252   6.832
   50   HG13  VAL   7          3HG1      VAL   7  -7.514  -2.449   5.473
   51   HG21  VAL   7          3HG2      VAL   7  -7.510  -5.828   7.188
   52   HG22  VAL   7          1HG2      VAL   7  -5.858  -5.401   6.745
   53   HG23  VAL   7          2HG2      VAL   7  -6.729  -6.626   5.822
   54    H    TYR   8           H        TYR   8  -9.494  -2.640   5.332
   55    HA   TYR   8           HA       TYR   8 -10.034  -2.023   2.483
   56    HB2  TYR   8           1HB      TYR   8 -11.741  -1.322   4.876
   57    HB3  TYR   8           2HB      TYR   8 -12.000  -0.726   3.238
   58    HD1  TYR   8           HD1      TYR   8 -12.124  -3.698   5.432
   59    HD2  TYR   8           HD2      TYR   8 -12.795  -2.222   1.449
   60    HE1  TYR   8           HE1      TYR   8 -13.375  -5.764   4.870
   61    HE2  TYR   8           HE2      TYR   8 -14.054  -4.277   0.905
   62    HH   TYR   8           HH       TYR   8 -15.428  -6.072   2.482
   63    H    VAL   9           H        VAL   9  -9.414  -0.034   1.801
   64    HA   VAL   9           HA       VAL   9  -7.508   1.422   3.340
   65    HB   VAL   9           HB       VAL   9  -8.947   2.157   0.768
   66   HG11  VAL   9          1HG1      VAL   9  -6.899   3.615   0.439
   67   HG12  VAL   9          2HG1      VAL   9  -6.489   3.299   2.124
   68   HG13  VAL   9          3HG1      VAL   9  -7.976   4.152   1.727
   69   HG21  VAL   9          3HG2      VAL   9  -7.712   0.072   0.552
   70   HG22  VAL   9          1HG2      VAL   9  -6.300   0.789   1.323
   71   HG23  VAL   9          2HG2      VAL   9  -6.813   1.346  -0.269
   72    H    MET  10           H        MET  10  -7.872   3.109   4.802
   73    HA   MET  10           HA       MET  10 -10.550   3.905   5.362
   74    HB2  MET  10           1HB      MET  10  -8.966   3.587   7.156
   75    HB3  MET  10           2HB      MET  10  -7.849   4.742   6.436
   76    HG2  MET  10           1HG      MET  10  -9.286   6.578   6.886
   77    HG3  MET  10           2HG      MET  10 -10.654   5.522   7.227
   78    HE1  MET  10           3HE      MET  10  -9.628   7.431  10.552
   79    HE2  MET  10           1HE      MET  10 -10.858   7.261   9.290
   80    HE3  MET  10           2HE      MET  10  -9.304   7.998   8.916
   81    H    SER  11           H        SER  11  -7.633   5.861   4.620
   82    HA   SER  11           HA       SER  11  -9.358   7.717   3.044
   83    HB2  SER  11           1HB      SER  11  -8.272   9.630   4.095
   84    HB3  SER  11           2HB      SER  11  -9.020   8.625   5.324
   85    HG   SER  11           HG       SER  11  -6.665   7.630   5.081
   86    H    VAL  12           H        VAL  12  -8.195   9.125   1.617
   87    HA   VAL  12           HA       VAL  12  -5.570   8.083   0.707
   88    HB   VAL  12           HB       VAL  12  -7.864   9.050  -1.029
   89   HG11  VAL  12          1HG1      VAL  12  -6.356   8.212  -2.873
   90   HG12  VAL  12          2HG1      VAL  12  -5.085   8.010  -1.669
   91   HG13  VAL  12          3HG1      VAL  12  -5.716   9.617  -2.020
   92   HG21  VAL  12          3HG2      VAL  12  -6.732   6.287  -0.468
   93   HG22  VAL  12          1HG2      VAL  12  -7.785   6.643  -1.834
   94   HG23  VAL  12          2HG2      VAL  12  -8.383   6.845  -0.189
   95    H    LEU  13           H        LEU  13  -4.062   9.610   0.307
   96    HA   LEU  13           HA       LEU  13  -4.870  12.416   0.801
   97    HB2  LEU  13           1HB      LEU  13  -2.282  10.953   1.211
   98    HB3  LEU  13           2HB      LEU  13  -2.408  12.703   1.315
   99    HG   LEU  13           HG       LEU  13  -4.291  10.966   2.925
  100   HD11  LEU  13          1HD1      LEU  13  -1.489  11.768   3.732
  101   HD12  LEU  13          2HD1      LEU  13  -2.081  10.129   3.463
  102   HD13  LEU  13          3HD1      LEU  13  -2.702  11.078   4.815
  103   HD21  LEU  13          3HD2      LEU  13  -3.110  13.738   3.374
  104   HD22  LEU  13          1HD2      LEU  13  -4.217  12.919   4.478
  105   HD23  LEU  13          2HD2      LEU  13  -4.763  13.393   2.873
  106    HA   PRO  14           HA       PRO  14  -3.669  13.465  -3.344
  107    HB2  PRO  14           1HB      PRO  14  -3.211  16.150  -3.086
  108    HB3  PRO  14           2HB      PRO  14  -4.849  15.456  -2.993
  109    HG2  PRO  14           1HG      PRO  14  -3.021  16.276  -0.754
  110    HG3  PRO  14           2HG      PRO  14  -4.763  16.571  -0.943
  111    HD2  PRO  14           1HD      PRO  14  -3.785  14.542   0.624
  112    HD3  PRO  14           2HD      PRO  14  -5.339  14.429  -0.236
  113    H    ASN  15           H        ASN  15  -1.841  14.085  -4.609
  114    HA   ASN  15           HA       ASN  15   0.376  14.207  -5.159
  115    HB2  ASN  15           1HB      ASN  15   0.869  15.185  -2.334
  116    HB3  ASN  15           2HB      ASN  15   1.857  15.468  -3.765
  117   HD21  ASN  15          2HD2      ASN  15  -0.433  16.937  -1.818
  118   HD22  ASN  15          1HD2      ASN  15  -1.050  18.055  -2.939
  119    H    MET  16           H        MET  16  -0.788  11.787  -3.859
  120    HA   MET  16           HA       MET  16   1.643  10.635  -2.620
  121    HB2  MET  16           1HB      MET  16  -1.272  10.209  -2.239
  122    HB3  MET  16           2HB      MET  16  -0.313   8.742  -2.166
  123    HG2  MET  16           1HG      MET  16  -0.587   9.827   0.070
  124    HG3  MET  16           2HG      MET  16   1.098   9.722  -0.413
  125    HE1  MET  16           3HE      MET  16   0.211  11.363   1.807
  126    HE2  MET  16           1HE      MET  16   0.723  13.043   1.601
  127    HE3  MET  16           2HE      MET  16   1.858  11.730   1.307
  128    HA   PRO  17           HA       PRO  17   2.431   8.095  -6.077
  129    HB2  PRO  17           1HB      PRO  17   3.169   5.675  -4.916
  130    HB3  PRO  17           2HB      PRO  17   4.211   7.113  -4.994
  131    HG2  PRO  17           1HG      PRO  17   2.563   6.101  -2.708
  132    HG3  PRO  17           2HG      PRO  17   4.175   6.835  -2.683
  133    HD2  PRO  17           1HD      PRO  17   1.929   8.226  -2.019
  134    HD3  PRO  17           2HD      PRO  17   3.339   8.997  -2.773
  135    H    ALA  18           H        ALA  18  -0.066   7.067  -3.861
  136    HA   ALA  18           HA       ALA  18  -1.068   5.032  -5.764
  137    HB1  ALA  18           3HB      ALA  18  -2.435   5.524  -3.143
  138    HB2  ALA  18           1HB      ALA  18  -0.779   4.928  -3.062
  139    HB3  ALA  18           2HB      ALA  18  -2.006   3.995  -3.914
  140    H    ALA  19           H        ALA  19  -1.554   8.178  -4.734
  141    HA   ALA  19           HA       ALA  19  -4.340   8.540  -5.132
  142    HB1  ALA  19           3HB      ALA  19  -3.903  10.940  -5.455
  143    HB2  ALA  19           1HB      ALA  19  -2.176  10.618  -5.607
  144    HB3  ALA  19           2HB      ALA  19  -2.998  10.316  -4.077
  145    H    GLY  20           H        GLY  20  -5.583   8.583  -6.926
  146    HA2  GLY  20           1HA      GLY  20  -6.076   9.090  -9.193
  147    HA3  GLY  20           2HA      GLY  20  -4.357   9.027  -9.576
  148    H    ARG  21           H        ARG  21  -4.666   6.483  -7.642
  149    HA   ARG  21           HA       ARG  21  -5.667   4.586  -9.697
  150    HB2  ARG  21           1HB      ARG  21  -3.006   4.563  -8.272
  151    HB3  ARG  21           2HB      ARG  21  -3.682   3.089  -8.961
  152    HG2  ARG  21           1HG      ARG  21  -3.480   5.563 -10.693
  153    HG3  ARG  21           2HG      ARG  21  -2.045   4.563 -10.425
  154    HD2  ARG  21           1HD      ARG  21  -3.199   2.604 -11.281
  155    HD3  ARG  21           2HD      ARG  21  -4.687   3.502 -11.463
  156    HE   ARG  21           HE       ARG  21  -2.711   4.841 -12.929
  157   HH11  ARG  21          1HH2      ARG  21  -4.382   1.800 -12.840
  158   HH12  ARG  21          2HH2      ARG  21  -4.272   1.537 -14.557
  159   HH21  ARG  21          1HH1      ARG  21  -2.569   4.506 -15.162
  160   HH22  ARG  21          2HH1      ARG  21  -3.246   3.069 -15.870
  161    H    LEU  22           H        LEU  22  -5.205   5.460  -6.440
  162    HA   LEU  22           HA       LEU  22  -6.741   3.092  -5.514
  163    HB2  LEU  22           1HB      LEU  22  -4.251   4.248  -4.546
  164    HB3  LEU  22           2HB      LEU  22  -5.451   4.237  -3.254
  165    HG   LEU  22           HG       LEU  22  -4.147   2.158  -3.298
  166   HD11  LEU  22          1HD1      LEU  22  -6.908   2.383  -3.054
  167   HD12  LEU  22          2HD1      LEU  22  -5.951   0.979  -2.596
  168   HD13  LEU  22          3HD1      LEU  22  -6.736   1.030  -4.175
  169   HD21  LEU  22          3HD2      LEU  22  -3.795   0.851  -5.146
  170   HD22  LEU  22          1HD2      LEU  22  -4.098   2.346  -6.031
  171   HD23  LEU  22          2HD2      LEU  22  -5.390   1.154  -5.830
  172    H    GLU  23           H        GLU  23  -8.606   3.410  -4.472
  173    HA   GLU  23           HA       GLU  23  -9.300   6.110  -3.535
  174    HB2  GLU  23           1HB      GLU  23 -10.887   4.307  -5.359
  175    HB3  GLU  23           2HB      GLU  23 -11.612   5.646  -4.469
  176    HG2  GLU  23           1HG      GLU  23 -10.029   7.219  -5.549
  177    HG3  GLU  23           2HG      GLU  23  -9.295   5.878  -6.423
  178    H    ALA  24           H        ALA  24 -10.687   6.174  -1.861
  179    HA   ALA  24           HA       ALA  24 -10.556   4.196   0.102
  180    HB1  ALA  24           3HB      ALA  24 -12.706   6.318  -0.219
  181    HB2  ALA  24           1HB      ALA  24 -11.148   6.565   0.568
  182    HB3  ALA  24           2HB      ALA  24 -12.321   5.449   1.264
  183    H    GLY  25           H        GLY  25 -11.801   2.442   0.588
  184    HA2  GLY  25           1HA      GLY  25 -13.901   1.238   0.568
  185    HA3  GLY  25           2HA      GLY  25 -14.206   1.868  -1.052
  186    H    ASP  26           H        ASP  26 -11.304   1.432  -1.768
  187    HA   ASP  26           HA       ASP  26 -11.595  -1.159  -2.911
  188    HB2  ASP  26           1HB      ASP  26  -9.398  -0.853  -3.790
  189    HB3  ASP  26           2HB      ASP  26 -10.108   0.759  -3.717
  190    H    ARG  27           H        ARG  27 -10.687  -3.151  -2.363
  191    HA   ARG  27           HA       ARG  27  -9.651  -3.425   0.405
  192    HB2  ARG  27           1HB      ARG  27 -11.650  -4.675   0.280
  193    HB3  ARG  27           2HB      ARG  27 -11.319  -5.227  -1.354
  194    HG2  ARG  27           1HG      ARG  27  -9.618  -6.745  -0.580
  195    HG3  ARG  27           2HG      ARG  27  -9.627  -6.032   1.028
  196    HD2  ARG  27           1HD      ARG  27 -10.845  -8.151   1.004
  197    HD3  ARG  27           2HD      ARG  27 -11.939  -6.819   1.351
  198    HE   ARG  27           HE       ARG  27 -11.870  -7.305  -1.441
  199   HH11  ARG  27          1HH2      ARG  27 -12.966  -8.636   1.564
  200   HH12  ARG  27          2HH2      ARG  27 -14.316  -9.474   0.858
  201   HH21  ARG  27          1HH1      ARG  27 -13.632  -8.389  -2.373
  202   HH22  ARG  27          2HH1      ARG  27 -14.692  -9.335  -1.367
  203    H    ILE  28           H        ILE  28  -7.813  -4.523   0.783
  204    HA   ILE  28           HA       ILE  28  -6.047  -4.984  -1.515
  205    HB   ILE  28           HB       ILE  28  -5.319  -5.206   1.419
  206   HG12  ILE  28          1HG1      ILE  28  -6.280  -3.006   1.153
  207   HG13  ILE  28          2HG1      ILE  28  -4.530  -2.823   1.174
  208   HG21  ILE  28          1HG2      ILE  28  -3.060  -4.683   0.554
  209   HG22  ILE  28          2HG2      ILE  28  -3.713  -4.593  -1.084
  210   HG23  ILE  28          3HG2      ILE  28  -3.717  -6.130  -0.218
  211   HD11  ILE  28          3HD1      ILE  28  -4.695  -2.933  -1.426
  212   HD12  ILE  28          1HD1      ILE  28  -5.230  -1.451  -0.629
  213   HD13  ILE  28          2HD1      ILE  28  -6.415  -2.634  -1.180
  214    H    ALA  29           H        ALA  29  -5.806  -6.930  -2.312
  215    HA   ALA  29           HA       ALA  29  -6.785  -9.293  -0.835
  216    HB1  ALA  29           3HB      ALA  29  -6.360 -10.411  -3.104
  217    HB2  ALA  29           1HB      ALA  29  -6.057  -8.782  -3.718
  218    HB3  ALA  29           2HB      ALA  29  -7.631  -9.194  -3.044
  219    H    ALA  30           H        ALA  30  -3.825  -7.774  -1.817
  220    HA   ALA  30           HA       ALA  30  -2.183  -9.443  -0.270
  221    HB1  ALA  30           3HB      ALA  30  -2.535 -11.262  -1.777
  222    HB2  ALA  30           1HB      ALA  30  -0.956 -10.602  -2.195
  223    HB3  ALA  30           2HB      ALA  30  -2.365 -10.209  -3.178
  224    H    ILE  31           H        ILE  31   0.019  -8.899  -0.372
  225    HA   ILE  31           HA       ILE  31   0.750  -6.618  -2.111
  226    HB   ILE  31           HB       ILE  31   1.351  -6.871   0.850
  227   HG12  ILE  31          1HG1      ILE  31  -0.160  -4.757  -0.716
  228   HG13  ILE  31          2HG1      ILE  31  -0.936  -6.044   0.208
  229   HG21  ILE  31          1HG2      ILE  31   2.389  -4.962  -1.274
  230   HG22  ILE  31          2HG2      ILE  31   3.327  -5.971  -0.181
  231   HG23  ILE  31          3HG2      ILE  31   2.454  -4.578   0.448
  232   HD11  ILE  31          3HD1      ILE  31   0.796  -3.801   1.270
  233   HD12  ILE  31          1HD1      ILE  31   0.335  -5.197   2.236
  234   HD13  ILE  31          2HD1      ILE  31  -0.907  -4.100   1.622
  235    H    ASP  32           H        ASP  32   2.484  -6.994  -3.231
  236    HA   ASP  32           HA       ASP  32   4.384  -7.992  -4.043
  237    HB2  ASP  32           1HB      ASP  32   5.235  -6.820  -1.975
  238    HB3  ASP  32           2HB      ASP  32   5.090  -8.350  -1.122
  239    H    GLY  33           H        GLY  33   1.992  -9.686  -3.063
  240    HA2  GLY  33           1HA      GLY  33   1.662 -11.943  -3.799
  241    HA3  GLY  33           2HA      GLY  33   3.336 -12.300  -3.394
  242    H    GLN  34           H        GLN  34   2.366 -10.476  -0.883
  243    HA   GLN  34           HA       GLN  34   1.800 -12.831   0.773
  244    HB2  GLN  34           1HB      GLN  34   2.333  -9.988   1.642
  245    HB3  GLN  34           2HB      GLN  34   2.319 -11.429   2.657
  246    HG2  GLN  34           1HG      GLN  34   4.212 -10.980   0.333
  247    HG3  GLN  34           2HG      GLN  34   4.628 -10.764   2.027
  248   HE21  GLN  34          2HE2      GLN  34   5.737 -12.758   0.051
  249   HE22  GLN  34          1HE2      GLN  34   5.463 -14.283   0.751
  250    HA   PRO  35           HA       PRO  35  -2.628 -11.580   0.576
  251    HB2  PRO  35           1HB      PRO  35  -2.856 -13.820   2.552
  252    HB3  PRO  35           2HB      PRO  35  -3.785 -13.542   1.060
  253    HG2  PRO  35           1HG      PRO  35  -1.909 -15.436   1.181
  254    HG3  PRO  35           2HG      PRO  35  -2.132 -14.461  -0.290
  255    HD2  PRO  35           1HD      PRO  35   0.006 -14.223   1.822
  256    HD3  PRO  35           2HD      PRO  35   0.114 -14.031   0.059
  257    H    ILE  36           H        ILE  36  -3.668 -10.099   1.875
  258    HA   ILE  36           HA       ILE  36  -2.524  -9.521   4.521
  259    HB   ILE  36           HB       ILE  36  -4.549  -7.923   2.961
  260   HG12  ILE  36          1HG1      ILE  36  -2.641  -8.123   1.527
  261   HG13  ILE  36          2HG1      ILE  36  -2.541  -6.539   2.273
  262   HG21  ILE  36          1HG2      ILE  36  -4.323  -7.364   5.357
  263   HG22  ILE  36          2HG2      ILE  36  -3.698  -6.069   4.342
  264   HG23  ILE  36          3HG2      ILE  36  -2.586  -7.173   5.144
  265   HD11  ILE  36          3HD1      ILE  36  -0.344  -7.413   2.426
  266   HD12  ILE  36          1HD1      ILE  36  -0.917  -9.007   2.882
  267   HD13  ILE  36          2HD1      ILE  36  -1.020  -7.685   4.033
  268    H    ASN  37           H        ASN  37  -3.387 -10.666   6.026
  269    HA   ASN  37           HA       ASN  37  -6.316 -11.073   6.215
  270    HB2  ASN  37           1HB      ASN  37  -4.918 -13.101   6.382
  271    HB3  ASN  37           2HB      ASN  37  -4.110 -12.420   7.791
  272   HD21  ASN  37          2HD2      ASN  37  -4.962 -13.348   9.667
  273   HD22  ASN  37          1HD2      ASN  37  -6.606 -13.696   9.920
  274    H    THR  38           H        THR  38  -3.665  -9.432   7.744
  275    HA   THR  38           HA       THR  38  -5.544  -8.207   9.674
  276    HB   THR  38           HB       THR  38  -4.212  -8.608  11.565
  277    HG1  THR  38           HG1      THR  38  -2.264  -7.992  10.403
  278   HG21  THR  38          3HG2      THR  38  -5.253 -10.712  10.651
  279   HG22  THR  38          1HG2      THR  38  -3.827 -10.990  11.650
  280   HG23  THR  38          2HG2      THR  38  -3.706 -11.082   9.893
  281    H    SER  39           H        SER  39  -4.758  -6.219  10.596
  282    HA   SER  39           HA       SER  39  -3.540  -4.515   8.666
  283    HB2  SER  39           1HB      SER  39  -4.269  -4.153  11.581
  284    HB3  SER  39           2HB      SER  39  -3.529  -2.871  10.631
  285    HG   SER  39           HG       SER  39  -6.014  -4.184  10.260
  286    H    GLU  40           H        GLU  40  -2.361  -6.520  11.221
  287    HA   GLU  40           HA       GLU  40   0.110  -5.239  11.753
  288    HB2  GLU  40           1HB      GLU  40  -0.934  -6.978  13.201
  289    HB3  GLU  40           2HB      GLU  40  -0.567  -8.180  11.965
  290    HG2  GLU  40           1HG      GLU  40   1.822  -7.711  12.172
  291    HG3  GLU  40           2HG      GLU  40   1.488  -6.441  13.346
  292    H    GLN  41           H        GLN  41  -0.966  -7.507   9.305
  293    HA   GLN  41           HA       GLN  41   1.570  -8.298   8.362
  294    HB2  GLN  41           1HB      GLN  41  -1.087  -8.083   6.931
  295    HB3  GLN  41           2HB      GLN  41   0.345  -8.850   6.244
  296    HG2  GLN  41           1HG      GLN  41  -0.893  -9.671   8.886
  297    HG3  GLN  41           2HG      GLN  41  -1.252 -10.462   7.353
  298   HE21  GLN  41          2HE2      GLN  41   0.545 -10.985  10.026
  299   HE22  GLN  41          1HE2      GLN  41   1.897 -11.761   9.345
  300    H    ILE  42           H        ILE  42  -0.359  -5.382   7.807
  301    HA   ILE  42           HA       ILE  42   1.210  -4.435   5.607
  302    HB   ILE  42           HB       ILE  42  -0.665  -2.979   7.483
  303   HG12  ILE  42          1HG1      ILE  42  -1.796  -4.861   6.359
  304   HG13  ILE  42          2HG1      ILE  42  -2.350  -3.331   5.687
  305   HG21  ILE  42          1HG2      ILE  42   0.447  -2.282   4.765
  306   HG22  ILE  42          2HG2      ILE  42   0.755  -1.426   6.277
  307   HG23  ILE  42          3HG2      ILE  42  -0.853  -1.399   5.551
  308   HD11  ILE  42          3HD1      ILE  42  -0.409  -3.757   3.929
  309   HD12  ILE  42          1HD1      ILE  42  -1.964  -4.561   3.742
  310   HD13  ILE  42          2HD1      ILE  42  -0.601  -5.426   4.447
  311    H    VAL  43           H        VAL  43   1.372  -4.286   9.069
  312    HA   VAL  43           HA       VAL  43   3.116  -2.030   9.278
  313    HB   VAL  43           HB       VAL  43   2.636  -4.334  11.186
  314   HG11  VAL  43          1HG1      VAL  43   4.731  -3.295  11.777
  315   HG12  VAL  43          2HG1      VAL  43   3.516  -2.667  12.889
  316   HG13  VAL  43          3HG1      VAL  43   4.064  -1.680  11.535
  317   HG21  VAL  43          3HG2      VAL  43   0.647  -2.908  10.592
  318   HG22  VAL  43          1HG2      VAL  43   1.528  -1.508  11.195
  319   HG23  VAL  43          2HG2      VAL  43   1.091  -2.816  12.294
  320    H    SER  44           H        SER  44   3.587  -5.537   9.110
  321    HA   SER  44           HA       SER  44   6.403  -5.506   9.448
  322    HB2  SER  44           1HB      SER  44   6.317  -7.759   8.395
  323    HB3  SER  44           2HB      SER  44   5.171  -7.569   9.712
  324    HG   SER  44           HG       SER  44   4.102  -6.765   7.366
  325    H    TYR  45           H        TYR  45   4.313  -5.305   6.637
  326    HA   TYR  45           HA       TYR  45   6.261  -5.505   4.632
  327    HB2  TYR  45           1HB      TYR  45   4.171  -5.576   3.645
  328    HB3  TYR  45           2HB      TYR  45   3.478  -4.497   4.844
  329    HD1  TYR  45           HD1      TYR  45   6.232  -4.179   2.309
  330    HD2  TYR  45           HD2      TYR  45   2.571  -2.553   3.846
  331    HE1  TYR  45           HE1      TYR  45   6.394  -2.286   0.724
  332    HE2  TYR  45           HE2      TYR  45   2.728  -0.674   2.250
  333    HH   TYR  45           HH       TYR  45   4.188  -0.573  -0.305
  334    H    VAL  46           H        VAL  46   4.868  -2.486   6.017
  335    HA   VAL  46           HA       VAL  46   6.531  -0.728   4.658
  336    HB   VAL  46           HB       VAL  46   5.344  -0.472   7.436
  337   HG11  VAL  46          1HG1      VAL  46   6.531   1.606   5.589
  338   HG12  VAL  46          2HG1      VAL  46   7.076   1.193   7.215
  339   HG13  VAL  46          3HG1      VAL  46   5.523   1.994   6.982
  340   HG21  VAL  46          3HG2      VAL  46   4.368   0.535   4.745
  341   HG22  VAL  46          1HG2      VAL  46   3.553   0.752   6.292
  342   HG23  VAL  46          2HG2      VAL  46   3.712  -0.861   5.598
  343    H    ARG  47           H        ARG  47   7.047  -2.348   7.751
  344    HA   ARG  47           HA       ARG  47   9.583  -1.155   8.266
  345    HB2  ARG  47           1HB      ARG  47   8.139  -2.127  10.023
  346    HB3  ARG  47           2HB      ARG  47   8.433  -3.727   9.354
  347    HG2  ARG  47           1HG      ARG  47   9.927  -3.403  11.223
  348    HG3  ARG  47           2HG      ARG  47  10.888  -3.407   9.760
  349    HD2  ARG  47           1HD      ARG  47  11.297  -1.068   9.869
  350    HD3  ARG  47           2HD      ARG  47   9.906  -0.794  10.941
  351    HE   ARG  47           HE       ARG  47  11.574  -2.477  12.335
  352   HH11  ARG  47          1HH2      ARG  47  11.839   0.653  10.845
  353   HH12  ARG  47          2HH2      ARG  47  13.037   1.219  11.972
  354   HH21  ARG  47          1HH1      ARG  47  13.113  -1.751  13.777
  355   HH22  ARG  47          2HH1      ARG  47  13.757  -0.142  13.631
  356    H    GLU  48           H        GLU  48   8.532  -4.106   6.611
  357    HA   GLU  48           HA       GLU  48  10.932  -5.488   6.431
  358    HB2  GLU  48           1HB      GLU  48   8.733  -6.349   5.597
  359    HB3  GLU  48           2HB      GLU  48   8.866  -5.256   4.225
  360    HG2  GLU  48           1HG      GLU  48  10.931  -6.370   3.510
  361    HG3  GLU  48           2HG      GLU  48  10.874  -7.416   4.921
  362    H    LYS  49           H        LYS  49   9.604  -3.324   3.899
  363    HA   LYS  49           HA       LYS  49  12.226  -3.068   2.673
  364    HB2  LYS  49           1HB      LYS  49   9.598  -1.766   1.972
  365    HB3  LYS  49           2HB      LYS  49  11.027  -1.853   0.964
  366    HG2  LYS  49           1HG      LYS  49   9.770  -4.418   1.969
  367    HG3  LYS  49           2HG      LYS  49   9.043  -3.594   0.600
  368    HD2  LYS  49           1HD      LYS  49  11.030  -3.784  -0.712
  369    HD3  LYS  49           2HD      LYS  49  11.986  -4.289   0.681
  370    HE2  LYS  49           1HE      LYS  49  11.367  -6.185  -0.810
  371    HE3  LYS  49           2HE      LYS  49  10.740  -6.375   0.827
  372    HZ1  LYS  49           3HZ      LYS  49   8.708  -6.472   0.000
  373    HZ2  LYS  49           1HZ      LYS  49   9.311  -6.286  -1.573
  374    HZ3  LYS  49           2HZ      LYS  49   8.882  -4.917  -0.674
  375    H    GLN  50           H        GLN  50  12.271  -0.528   1.751
  376    HA   GLN  50           HA       GLN  50  12.270   1.221   4.133
  377    HB2  GLN  50           1HB      GLN  50  14.472   2.113   3.385
  378    HB3  GLN  50           2HB      GLN  50  14.536   0.419   3.862
  379    HG2  GLN  50           1HG      GLN  50  14.378  -0.258   1.495
  380    HG3  GLN  50           2HG      GLN  50  14.315   1.433   1.014
  381   HE21  GLN  50          2HE2      GLN  50  16.344   1.736   0.004
  382   HE22  GLN  50          1HE2      GLN  50  17.832   1.408   0.755
  383    H    ALA  51           H        ALA  51  12.898   3.502   3.409
  384    HA   ALA  51           HA       ALA  51  10.768   4.503   1.830
  385    HB1  ALA  51           3HB      ALA  51  11.943   6.676   1.967
  386    HB2  ALA  51           1HB      ALA  51  13.363   5.864   2.619
  387    HB3  ALA  51           2HB      ALA  51  11.862   5.886   3.539
  388    H    GLY  52           H        GLY  52  10.597   4.944  -0.329
  389    HA2  GLY  52           1HA      GLY  52  11.336   5.434  -2.503
  390    HA3  GLY  52           2HA      GLY  52  12.976   4.984  -2.044
  391    H    ASP  53           H        ASP  53  11.047   2.627  -0.814
  392    HA   ASP  53           HA       ASP  53  11.905   0.665  -2.692
  393    HB2  ASP  53           1HB      ASP  53  11.538   0.123  -0.346
  394    HB3  ASP  53           2HB      ASP  53   9.829   0.497  -0.506
  395    H    ARG  54           H        ARG  54  10.301  -0.932  -3.656
  396    HA   ARG  54           HA       ARG  54   7.837   0.349  -4.670
  397    HB2  ARG  54           1HB      ARG  54   9.866  -1.028  -6.452
  398    HB3  ARG  54           2HB      ARG  54   8.356  -0.267  -6.958
  399    HG2  ARG  54           1HG      ARG  54   9.212   1.904  -6.115
  400    HG3  ARG  54           2HG      ARG  54  10.735   1.116  -5.713
  401    HD2  ARG  54           1HD      ARG  54  10.989   2.186  -7.875
  402    HD3  ARG  54           2HD      ARG  54  10.954   0.444  -8.124
  403    HE   ARG  54           HE       ARG  54   8.326   1.470  -8.313
  404   HH11  ARG  54          1HH2      ARG  54  11.377   1.466  -9.967
  405   HH12  ARG  54          2HH2      ARG  54  10.670   1.662 -11.544
  406   HH21  ARG  54          1HH1      ARG  54   7.402   1.725 -10.367
  407   HH22  ARG  54          2HH1      ARG  54   8.427   1.808 -11.772
  408    H    VAL  55           H        VAL  55   6.259  -1.001  -4.199
  409    HA   VAL  55           HA       VAL  55   6.703  -3.923  -4.532
  410    HB   VAL  55           HB       VAL  55   5.078  -4.209  -2.563
  411   HG11  VAL  55          1HG1      VAL  55   6.880  -3.925  -0.904
  412   HG12  VAL  55          2HG1      VAL  55   7.785  -2.956  -2.065
  413   HG13  VAL  55          3HG1      VAL  55   7.482  -4.658  -2.392
  414   HG21  VAL  55          3HG2      VAL  55   4.758  -2.351  -1.085
  415   HG22  VAL  55          1HG2      VAL  55   4.389  -1.740  -2.688
  416   HG23  VAL  55          2HG2      VAL  55   5.940  -1.363  -1.942
  417    H    ARG  56           H        ARG  56   5.261  -4.998  -5.553
  418    HA   ARG  56           HA       ARG  56   3.101  -3.697  -6.990
  419    HB2  ARG  56           1HB      ARG  56   3.788  -6.645  -6.812
  420    HB3  ARG  56           2HB      ARG  56   2.766  -5.875  -8.025
  421    HG2  ARG  56           1HG      ARG  56   5.697  -5.215  -7.623
  422    HG3  ARG  56           2HG      ARG  56   5.102  -6.351  -8.833
  423    HD2  ARG  56           1HD      ARG  56   3.650  -4.447  -9.715
  424    HD3  ARG  56           2HD      ARG  56   4.569  -3.374  -8.677
  425    HE   ARG  56           HE       ARG  56   5.526  -4.709 -11.084
  426   HH11  ARG  56          1HH2      ARG  56   6.290  -2.942  -8.191
  427   HH12  ARG  56          2HH2      ARG  56   7.821  -2.378  -8.787
  428   HH21  ARG  56          1HH1      ARG  56   7.506  -3.972 -11.859
  429   HH22  ARG  56          2HH1      ARG  56   8.512  -2.962 -10.861
  430    H    VAL  57           H        VAL  57   1.401  -3.110  -5.816
  431    HA   VAL  57           HA       VAL  57   0.385  -4.871  -3.697
  432    HB   VAL  57           HB       VAL  57  -0.293  -2.036  -4.517
  433   HG11  VAL  57          1HG1      VAL  57  -1.575  -2.106  -2.258
  434   HG12  VAL  57          2HG1      VAL  57  -1.512  -3.859  -2.427
  435   HG13  VAL  57          3HG1      VAL  57  -2.337  -2.891  -3.644
  436   HG21  VAL  57          3HG2      VAL  57   0.788  -1.478  -2.377
  437   HG22  VAL  57          1HG2      VAL  57   1.898  -2.393  -3.399
  438   HG23  VAL  57          2HG2      VAL  57   1.065  -3.188  -2.064
  439    H    THR  58           H        THR  58  -1.477  -5.972  -3.822
  440    HA   THR  58           HA       THR  58  -2.994  -5.884  -6.376
  441    HB   THR  58           HB       THR  58  -3.018  -8.046  -4.246
  442    HG1  THR  58           HG1      THR  58  -0.972  -7.966  -5.078
  443   HG21  THR  58          3HG2      THR  58  -3.918  -7.964  -7.139
  444   HG22  THR  58          1HG2      THR  58  -4.967  -8.048  -5.727
  445   HG23  THR  58          2HG2      THR  58  -3.918  -9.409  -6.128
  446    H    PHE  59           H        PHE  59  -5.179  -5.398  -6.363
  447    HA   PHE  59           HA       PHE  59  -6.654  -5.377  -3.839
  448    HB2  PHE  59           1HB      PHE  59  -7.265  -3.077  -3.902
  449    HB3  PHE  59           2HB      PHE  59  -5.518  -3.103  -4.103
  450    HD1  PHE  59           HD2      PHE  59  -4.485  -2.670  -6.341
  451    HD2  PHE  59           HD1      PHE  59  -8.745  -2.407  -5.754
  452    HE1  PHE  59           HE2      PHE  59  -4.727  -1.452  -8.492
  453    HE2  PHE  59           HE1      PHE  59  -8.952  -1.191  -7.886
  454    HZ   PHE  59           HZ       PHE  59  -6.954  -0.699  -9.250
  455    H    ILE  60           H        ILE  60  -8.944  -5.376  -4.171
  456    HA   ILE  60           HA       ILE  60  -9.772  -6.149  -6.890
  457    HB   ILE  60           HB       ILE  60 -10.621  -6.914  -4.119
  458   HG12  ILE  60          1HG1      ILE  60 -10.739  -9.134  -5.125
  459   HG13  ILE  60          2HG1      ILE  60 -10.574  -8.433  -6.735
  460   HG21  ILE  60          1HG2      ILE  60 -12.773  -6.115  -4.838
  461   HG22  ILE  60          2HG2      ILE  60 -12.802  -7.860  -5.081
  462   HG23  ILE  60          3HG2      ILE  60 -12.553  -6.783  -6.456
  463   HD11  ILE  60          3HD1      ILE  60  -8.307  -8.023  -6.481
  464   HD12  ILE  60          1HD1      ILE  60  -8.458  -9.445  -5.447
  465   HD13  ILE  60          2HD1      ILE  60  -8.418  -7.830  -4.733
  466    H    ARG  61           H        ARG  61 -11.277  -5.166  -7.967
  467    HA   ARG  61           HA       ARG  61 -13.018  -3.168  -6.749
  468    HB2  ARG  61           1HB      ARG  61 -11.185  -1.813  -7.438
  469    HB3  ARG  61           2HB      ARG  61 -11.091  -2.597  -9.007
  470    HG2  ARG  61           1HG      ARG  61 -13.238  -1.651  -9.667
  471    HG3  ARG  61           2HG      ARG  61 -13.505  -1.027  -8.043
  472    HD2  ARG  61           1HD      ARG  61 -11.214  -0.209  -9.834
  473    HD3  ARG  61           2HD      ARG  61 -12.701   0.722  -9.629
  474    HE   ARG  61           HE       ARG  61 -10.516   0.511  -7.744
  475   HH11  ARG  61          1HH2      ARG  61 -13.900   1.094  -8.199
  476   HH12  ARG  61          2HH2      ARG  61 -14.083   1.996  -6.726
  477   HH21  ARG  61          1HH1      ARG  61 -10.749   1.663  -5.803
  478   HH22  ARG  61          2HH1      ARG  61 -12.303   2.318  -5.368
  479    H    ASP  62           H        ASP  62 -14.959  -3.684  -7.269
  480    HA   ASP  62           HA       ASP  62 -16.807  -4.574  -8.381
  481    HB2  ASP  62           1HB      ASP  62 -15.197  -3.449 -10.695
  482    HB3  ASP  62           2HB      ASP  62 -16.835  -4.070 -10.877
  483    H    ARG  63           H        ARG  63 -14.963  -6.528  -7.673
  484    HA   ARG  63           HA       ARG  63 -14.485  -8.695  -8.075
  485    HB2  ARG  63           1HB      ARG  63 -16.914  -8.534  -9.027
  486    HB3  ARG  63           2HB      ARG  63 -16.130  -8.659 -10.598
  487    HG2  ARG  63           1HG      ARG  63 -16.463 -10.942 -10.156
  488    HG3  ARG  63           2HG      ARG  63 -14.875 -10.739  -9.424
  489    HD2  ARG  63           1HD      ARG  63 -16.029 -10.276  -7.235
  490    HD3  ARG  63           2HD      ARG  63 -17.547 -10.720  -8.006
  491    HE   ARG  63           HE       ARG  63 -15.423 -12.516  -7.201
  492   HH11  ARG  63          1HH2      ARG  63 -18.127 -11.970  -9.285
  493   HH12  ARG  63          2HH2      ARG  63 -18.449 -13.658  -9.543
  494   HH21  ARG  63          1HH1      ARG  63 -15.816 -14.722  -7.536
  495   HH22  ARG  63          2HH1      ARG  63 -17.137 -15.218  -8.551
  496    H    LYS  64           H        LYS  64 -13.278  -6.284  -9.783
  497    HA   LYS  64           HA       LYS  64 -11.755  -7.975 -11.692
  498    HB2  LYS  64           1HB      LYS  64 -12.136  -4.975 -11.703
  499    HB3  LYS  64           2HB      LYS  64 -11.282  -5.916 -12.915
  500    HG2  LYS  64           1HG      LYS  64 -13.451  -7.171 -13.325
  501    HG3  LYS  64           2HG      LYS  64 -14.240  -5.992 -12.289
  502    HD2  LYS  64           1HD      LYS  64 -12.736  -5.393 -14.839
  503    HD3  LYS  64           2HD      LYS  64 -14.479  -5.328 -14.622
  504    HE2  LYS  64           1HE      LYS  64 -13.873  -3.061 -14.389
  505    HE3  LYS  64           2HE      LYS  64 -13.902  -3.592 -12.709
  506    HZ1  LYS  64           3HZ      LYS  64 -11.758  -2.541 -14.142
  507    HZ2  LYS  64           1HZ      LYS  64 -11.388  -4.164 -13.821
  508    HZ3  LYS  64           2HZ      LYS  64 -11.764  -3.112 -12.540
  509    H    GLN  65           H        GLN  65  -9.867  -8.549 -10.859
  510    HA   GLN  65           HA       GLN  65  -8.568  -7.141  -8.745
  511    HB2  GLN  65           1HB      GLN  65  -7.391  -9.313 -10.502
  512    HB3  GLN  65           2HB      GLN  65  -6.923  -8.881  -8.862
  513    HG2  GLN  65           1HG      GLN  65  -9.130  -9.604  -8.046
  514    HG3  GLN  65           2HG      GLN  65  -9.600 -10.041  -9.678
  515   HE21  GLN  65          2HE2      GLN  65  -8.383 -11.308  -6.828
  516   HE22  GLN  65          1HE2      GLN  65  -7.636 -12.700  -7.457
  517    H    HIS  66           H        HIS  66  -6.662  -5.960  -8.838
  518    HA   HIS  66           HA       HIS  66  -5.249  -5.504 -11.332
  519    HB2  HIS  66           1HB      HIS  66  -6.732  -3.255  -9.976
  520    HB3  HIS  66           2HB      HIS  66  -5.556  -3.048 -11.268
  521    HD1  HIS  66           HD1      HIS  66  -6.225  -4.198 -13.617
  522    HD2  HIS  66           HD2      HIS  66  -9.254  -3.874 -10.795
  523    HE1  HIS  66           HE1      HIS  66  -8.398  -4.544 -14.874
  524    HE2  HIS  66           HE2      HIS  66 -10.267  -4.351 -13.162
  525    H    GLU  67           H        GLU  67  -3.211  -4.848 -11.009
  526    HA   GLU  67           HA       GLU  67  -2.175  -4.764  -8.296
  527    HB2  GLU  67           1HB      GLU  67  -0.807  -4.907 -10.991
  528    HB3  GLU  67           2HB      GLU  67   0.053  -4.841  -9.456
  529    HG2  GLU  67           1HG      GLU  67  -1.091  -6.890  -8.721
  530    HG3  GLU  67           2HG      GLU  67  -1.944  -6.967 -10.262
  531    H    ALA  68           H        ALA  68  -1.594  -2.956  -7.307
  532    HA   ALA  68           HA       ALA  68  -1.471  -0.404  -8.794
  533    HB1  ALA  68           3HB      ALA  68  -1.931   0.657  -6.646
  534    HB2  ALA  68           1HB      ALA  68  -1.902  -0.913  -5.845
  535    HB3  ALA  68           2HB      ALA  68  -3.166  -0.542  -7.011
  536    H    GLU  69           H        GLU  69   0.364   0.478  -9.057
  537    HA   GLU  69           HA       GLU  69   2.808  -0.509  -7.848
  538    HB2  GLU  69           1HB      GLU  69   2.636   0.319 -10.249
  539    HB3  GLU  69           2HB      GLU  69   2.520   1.950  -9.597
  540    HG2  GLU  69           1HG      GLU  69   4.840   1.585 -10.124
  541    HG3  GLU  69           2HG      GLU  69   4.709   1.511  -8.369
  542    H    LEU  70           H        LEU  70   2.948  -0.021  -5.747
  543    HA   LEU  70           HA       LEU  70   2.733   2.823  -4.868
  544    HB2  LEU  70           1HB      LEU  70   1.964   0.246  -3.557
  545    HB3  LEU  70           2HB      LEU  70   2.536   1.535  -2.509
  546    HG   LEU  70           HG       LEU  70   0.823   3.046  -3.424
  547   HD11  LEU  70          1HD1      LEU  70   0.195   0.682  -5.200
  548   HD12  LEU  70          2HD1      LEU  70   0.439   2.373  -5.638
  549   HD13  LEU  70          3HD1      LEU  70  -1.043   1.887  -4.821
  550   HD21  LEU  70          3HD2      LEU  70   0.372   1.444  -1.464
  551   HD22  LEU  70          1HD2      LEU  70  -0.539   0.462  -2.615
  552   HD23  LEU  70          2HD2      LEU  70  -1.045   2.112  -2.271
  553    H    VAL  71           H        VAL  71   4.224   3.651  -3.503
  554    HA   VAL  71           HA       VAL  71   6.708   2.146  -3.021
  555    HB   VAL  71           HB       VAL  71   8.075   3.912  -3.864
  556   HG11  VAL  71          1HG1      VAL  71   5.819   3.650  -5.870
  557   HG12  VAL  71          2HG1      VAL  71   6.951   2.348  -5.531
  558   HG13  VAL  71          3HG1      VAL  71   7.538   3.865  -6.202
  559   HG21  VAL  71          3HG2      VAL  71   6.948   5.901  -3.154
  560   HG22  VAL  71          1HG2      VAL  71   5.501   5.466  -4.051
  561   HG23  VAL  71          2HG2      VAL  71   6.943   5.969  -4.917
  562    H    LEU  72           H        LEU  72   7.678   2.526  -1.136
  563    HA   LEU  72           HA       LEU  72   6.288   3.796   0.967
  564    HB2  LEU  72           1HB      LEU  72   9.149   2.872   0.700
  565    HB3  LEU  72           2HB      LEU  72   8.512   3.533   2.192
  566    HG   LEU  72           HG       LEU  72   7.512   1.040   0.762
  567   HD11  LEU  72          1HD1      LEU  72   8.259  -0.061   2.876
  568   HD12  LEU  72          2HD1      LEU  72   9.062   1.446   3.304
  569   HD13  LEU  72          3HD1      LEU  72   9.546   0.575   1.857
  570   HD21  LEU  72          3HD2      LEU  72   5.525   1.833   1.753
  571   HD22  LEU  72          1HD2      LEU  72   6.385   2.618   3.083
  572   HD23  LEU  72          2HD2      LEU  72   6.187   0.866   3.056
  573    H    LYS  73           H        LYS  73   6.009   5.810   1.366
  574    HA   LYS  73           HA       LYS  73   8.001   7.797   0.437
  575    HB2  LYS  73           1HB      LYS  73   5.846   7.910  -0.747
  576    HB3  LYS  73           2HB      LYS  73   5.033   8.245   0.781
  577    HG2  LYS  73           1HG      LYS  73   6.265  10.313   1.069
  578    HG3  LYS  73           2HG      LYS  73   7.318   9.941  -0.295
  579    HD2  LYS  73           1HD      LYS  73   5.360   9.998  -1.809
  580    HD3  LYS  73           2HD      LYS  73   4.337  10.444  -0.444
  581    HE2  LYS  73           1HE      LYS  73   5.630  12.498  -0.111
  582    HE3  LYS  73           2HE      LYS  73   6.727  12.040  -1.413
  583    HZ1  LYS  73           3HZ      LYS  73   3.980  11.965  -2.209
  584    HZ2  LYS  73           1HZ      LYS  73   5.296  12.741  -2.942
  585    HZ3  LYS  73           2HZ      LYS  73   4.454  13.508  -1.683
  586    HA   PRO  74           HA       PRO  74   8.183   8.639   4.905
  587    HB2  PRO  74           1HB      PRO  74  10.327  10.294   4.934
  588    HB3  PRO  74           2HB      PRO  74  10.504   8.550   4.643
  589    HG2  PRO  74           1HG      PRO  74  10.469  10.793   2.655
  590    HG3  PRO  74           2HG      PRO  74  11.530   9.368   2.723
  591    HD2  PRO  74           1HD      PRO  74   9.323   9.523   1.079
  592    HD3  PRO  74           2HD      PRO  74   9.957   7.991   1.709
  593    H    PHE  75           H        PHE  75   8.332  10.648   6.292
  594    HA   PHE  75           HA       PHE  75   6.318  12.503   5.313
  595    HB2  PHE  75           1HB      PHE  75   7.406  11.701   7.949
  596    HB3  PHE  75           2HB      PHE  75   6.930  13.391   7.838
  597    HD1  PHE  75           HD2      PHE  75   5.660  10.089   6.627
  598    HD2  PHE  75           HD1      PHE  75   4.701  13.815   8.547
  599    HE1  PHE  75           HE2      PHE  75   3.296   9.379   6.831
  600    HE2  PHE  75           HE1      PHE  75   2.341  13.104   8.745
  601    HZ   PHE  75           HZ       PHE  75   1.637  10.887   7.889
  602    HA   PRO  76           HA       PRO  76   8.668  16.006   4.121
  603    HB2  PRO  76           1HB      PRO  76   7.492  17.596   6.389
  604    HB3  PRO  76           2HB      PRO  76   7.574  17.985   4.662
  605    HG2  PRO  76           1HG      PRO  76   5.309  17.115   5.848
  606    HG3  PRO  76           2HG      PRO  76   5.706  16.747   4.157
  607    HD2  PRO  76           1HD      PRO  76   5.735  14.930   6.525
  608    HD3  PRO  76           2HD      PRO  76   5.575  14.542   4.796
  609    H    HIS  77           H        HIS  77   8.629  17.055   7.478
  610    HA   HIS  77           HA       HIS  77  11.562  16.884   7.576
  611    HB2  HIS  77           1HB      HIS  77  10.464  19.077   7.924
  612    HB3  HIS  77           2HB      HIS  77   9.626  18.412   9.328
  613    HD1  HIS  77           HD1      HIS  77  13.256  18.176   8.177
  614    HD2  HIS  77           HD2      HIS  77  11.041  19.247  11.542
  615    HE1  HIS  77           HE1      HIS  77  14.934  18.743   9.985
  616    HE2  HIS  77           HE2      HIS  77  13.598  19.399  12.044
  617    H    HIS  78           H        HIS  78   9.152  14.918   8.311
  618    HA   HIS  78           HA       HIS  78  10.384  13.950  10.844
  619    HB2  HIS  78           1HB      HIS  78   7.491  13.661  10.005
  620    HB3  HIS  78           2HB      HIS  78   8.198  13.132  11.521
  621    HD1  HIS  78           HD1      HIS  78   9.803  15.461  12.443
  622    HD2  HIS  78           HD2      HIS  78   6.097  15.973  10.600
  623    HE1  HIS  78           HE1      HIS  78   8.948  17.731  13.169
  624    HE2  HIS  78           HE2      HIS  78   6.691  18.059  12.055
  625    HA   PRO  79           HA       PRO  79  10.471  10.773   7.260
  626    HB2  PRO  79           1HB      PRO  79  13.254  10.494   7.206
  627    HB3  PRO  79           2HB      PRO  79  12.336  11.572   6.130
  628    HG2  PRO  79           1HG      PRO  79  13.804  12.232   8.658
  629    HG3  PRO  79           2HG      PRO  79  13.711  13.152   7.142
  630    HD2  PRO  79           1HD      PRO  79  12.234  13.845   9.313
  631    HD3  PRO  79           2HD      PRO  79  11.600  14.042   7.657
  632    H    ASN  80           H        ASN  80  11.310  11.156  10.450
  633    HA   ASN  80           HA       ASN  80  12.639   8.872  11.247
  634    HB2  ASN  80           1HB      ASN  80  11.514   9.094  13.415
  635    HB3  ASN  80           2HB      ASN  80  12.011  10.673  12.807
  636   HD21  ASN  80          2HD2      ASN  80   9.425   9.135  14.249
  637   HD22  ASN  80          1HD2      ASN  80   8.170  10.130  13.685
  638    H    GLN  81           H        GLN  81   9.610   9.062   9.684
  639    HA   GLN  81           HA       GLN  81   9.071   6.225  10.266
  640    HB2  GLN  81           1HB      GLN  81   7.497   8.204  11.284
  641    HB3  GLN  81           2HB      GLN  81   6.719   7.993   9.720
  642    HG2  GLN  81           1HG      GLN  81   5.606   6.467  11.207
  643    HG3  GLN  81           2HG      GLN  81   6.688   5.472  10.235
  644   HE21  GLN  81          2HE2      GLN  81   7.650   3.921  11.543
  645   HE22  GLN  81          1HE2      GLN  81   8.223   4.199  13.120
  646    H    ILE  82           H        ILE  82   6.967   5.891   8.568
  647    HA   ILE  82           HA       ILE  82   7.999   6.610   5.904
  648    HB   ILE  82           HB       ILE  82   6.775   3.900   6.263
  649   HG12  ILE  82          1HG1      ILE  82   8.419   4.099   8.194
  650   HG13  ILE  82          2HG1      ILE  82   8.811   2.849   7.027
  651   HG21  ILE  82          1HG2      ILE  82   8.570   3.345   4.586
  652   HG22  ILE  82          2HG2      ILE  82   9.045   5.040   4.598
  653   HG23  ILE  82          3HG2      ILE  82   7.433   4.577   4.044
  654   HD11  ILE  82          3HD1      ILE  82  10.601   4.717   7.908
  655   HD12  ILE  82          1HD1      ILE  82  10.028   5.483   6.423
  656   HD13  ILE  82          2HD1      ILE  82  10.731   3.861   6.372
  657    H    GLY  83           H        GLY  83   6.352   6.062   4.199
  658    HA2  GLY  83           1HA      GLY  83   4.145   7.662   4.383
  659    HA3  GLY  83           2HA      GLY  83   4.272   6.307   3.271
  660    H    LEU  84           H        LEU  84   3.240   7.270   6.502
  661    HA   LEU  84           HA       LEU  84   1.637   4.801   6.783
  662    HB2  LEU  84           1HB      LEU  84   3.099   6.476   8.645
  663    HB3  LEU  84           2HB      LEU  84   1.409   6.403   9.145
  664    HG   LEU  84           HG       LEU  84   2.694   4.580  10.154
  665   HD11  LEU  84          1HD1      LEU  84   1.114   2.938   8.255
  666   HD12  LEU  84          2HD1      LEU  84   0.222   4.328   8.876
  667   HD13  LEU  84          3HD1      LEU  84   0.912   3.153   9.995
  668   HD21  LEU  84          3HD2      LEU  84   4.161   4.516   7.794
  669   HD22  LEU  84          1HD2      LEU  84   3.150   3.079   7.617
  670   HD23  LEU  84          2HD2      LEU  84   4.199   3.255   9.024
  671    H    GLY  85           H        GLY  85   1.289   7.845   5.578
  672    HA2  GLY  85           1HA      GLY  85  -1.006   8.926   6.587
  673    HA3  GLY  85           2HA      GLY  85  -0.580   8.983   4.884
  674    H    VAL  86           H        VAL  86  -0.712   5.967   4.774
  675    HA   VAL  86           HA       VAL  86  -3.663   5.717   4.531
  676    HB   VAL  86           HB       VAL  86  -1.510   4.084   3.153
  677   HG11  VAL  86          1HG1      VAL  86  -3.728   3.010   3.330
  678   HG12  VAL  86          2HG1      VAL  86  -3.393   3.474   1.661
  679   HG13  VAL  86          3HG1      VAL  86  -4.475   4.452   2.648
  680   HG21  VAL  86          3HG2      VAL  86  -1.315   6.409   2.438
  681   HG22  VAL  86          1HG2      VAL  86  -3.060   6.527   2.225
  682   HG23  VAL  86          2HG2      VAL  86  -2.110   5.495   1.159
  683    H    THR  87           H        THR  87  -4.717   3.914   5.343
  684    HA   THR  87           HA       THR  87  -3.539   2.710   7.645
  685    HB   THR  87           HB       THR  87  -5.954   3.356   7.394
  686    HG1  THR  87           HG1      THR  87  -4.952   1.575   8.785
  687   HG21  THR  87          3HG2      THR  87  -6.216   0.791   5.800
  688   HG22  THR  87          1HG2      THR  87  -6.148   2.385   5.045
  689   HG23  THR  87          2HG2      THR  87  -7.465   1.983   6.148
  Start of MODEL    7
    1    H1   MET   1           1H       MET   1 -21.469 -17.775   0.978
    2    H2   MET   1           2H       MET   1 -20.458 -17.371  -0.324
    3    H3   MET   1           3H       MET   1 -21.821 -16.419   0.022
    4    HA   MET   1           HA       MET   1 -20.435 -15.099   1.134
    5    HB2  MET   1           1HB      MET   1 -20.506 -17.526   2.957
    6    HB3  MET   1           2HB      MET   1 -19.884 -15.952   3.450
    7    HG2  MET   1           1HG      MET   1 -22.173 -16.052   4.181
    8    HG3  MET   1           2HG      MET   1 -22.139 -14.971   2.790
    9    HE1  MET   1           3HE      MET   1 -24.372 -15.112   1.520
   10    HE2  MET   1           1HE      MET   1 -24.715 -15.472   3.216
   11    HE3  MET   1           2HE      MET   1 -25.482 -16.414   1.941
   12    H    ASN   2           H        ASN   2 -18.262 -14.577   1.634
   13    HA   ASN   2           HA       ASN   2 -16.324 -16.141   0.152
   14    HB2  ASN   2           1HB      ASN   2 -14.829 -14.294   0.540
   15    HB3  ASN   2           2HB      ASN   2 -16.408 -13.651   0.102
   16   HD21  ASN   2          2HD2      ASN   2 -17.827 -13.722   2.486
   17   HD22  ASN   2          1HD2      ASN   2 -17.048 -12.779   3.663
   18    H    GLU   3           H        GLU   3 -14.133 -16.518   1.115
   19    HA   GLU   3           HA       GLU   3 -14.395 -18.189   3.433
   20    HB2  GLU   3           1HB      GLU   3 -11.934 -17.315   1.906
   21    HB3  GLU   3           2HB      GLU   3 -11.969 -18.580   3.131
   22    HG2  GLU   3           1HG      GLU   3 -13.660 -18.621   0.616
   23    HG3  GLU   3           2HG      GLU   3 -12.109 -19.438   0.768
   24    H    ALA   4           H        ALA   4 -11.878 -15.721   2.966
   25    HA   ALA   4           HA       ALA   4 -12.479 -14.596   5.655
   26    HB1  ALA   4           3HB      ALA   4  -9.748 -15.382   4.600
   27    HB2  ALA   4           1HB      ALA   4 -10.622 -16.164   5.916
   28    HB3  ALA   4           2HB      ALA   4 -10.044 -14.509   6.102
   29    H    LYS   5           H        LYS   5 -12.234 -12.387   5.844
   30    HA   LYS   5           HA       LYS   5 -11.938 -10.882   3.379
   31    HB2  LYS   5           1HB      LYS   5 -12.583 -10.055   6.221
   32    HB3  LYS   5           2HB      LYS   5 -12.555  -8.959   4.844
   33    HG2  LYS   5           1HG      LYS   5 -14.304 -10.288   3.729
   34    HG3  LYS   5           2HG      LYS   5 -14.325 -11.412   5.087
   35    HD2  LYS   5           1HD      LYS   5 -14.952  -9.522   6.594
   36    HD3  LYS   5           2HD      LYS   5 -15.034  -8.464   5.186
   37    HE2  LYS   5           1HE      LYS   5 -16.719 -10.945   5.651
   38    HE3  LYS   5           2HE      LYS   5 -17.278  -9.279   5.758
   39    HZ1  LYS   5           3HZ      LYS   5 -17.870 -10.090   3.634
   40    HZ2  LYS   5           1HZ      LYS   5 -16.318 -10.705   3.346
   41    HZ3  LYS   5           2HZ      LYS   5 -16.569  -9.027   3.398
   42    H    GLY   6           H        GLY   6 -10.701  -8.745   3.603
   43    HA2  GLY   6           1HA      GLY   6  -7.988  -9.276   4.726
   44    HA3  GLY   6           2HA      GLY   6  -8.292  -8.368   3.251
   45    H    VAL   7           H        VAL   7  -8.055  -6.247   3.478
   46    HA   VAL   7           HA       VAL   7  -8.859  -4.916   6.005
   47    HB   VAL   7           HB       VAL   7  -6.885  -3.422   5.711
   48   HG11  VAL   7          1HG1      VAL   7  -6.253  -6.379   5.950
   49   HG12  VAL   7          2HG1      VAL   7  -6.818  -5.341   7.259
   50   HG13  VAL   7          3HG1      VAL   7  -5.236  -5.060   6.532
   51   HG21  VAL   7          3HG2      VAL   7  -5.069  -4.175   4.215
   52   HG22  VAL   7          1HG2      VAL   7  -6.524  -3.805   3.294
   53   HG23  VAL   7          2HG2      VAL   7  -6.092  -5.482   3.625
   54    H    TYR   8           H        TYR   8  -8.977  -2.487   5.660
   55    HA   TYR   8           HA       TYR   8  -9.990  -1.794   2.956
   56    HB2  TYR   8           1HB      TYR   8 -11.349  -1.253   5.607
   57    HB3  TYR   8           2HB      TYR   8 -11.863  -0.594   4.054
   58    HD1  TYR   8           HD2      TYR   8 -11.563  -3.669   6.092
   59    HD2  TYR   8           HD1      TYR   8 -12.891  -2.023   2.348
   60    HE1  TYR   8           HE2      TYR   8 -12.825  -5.751   5.620
   61    HE2  TYR   8           HE1      TYR   8 -14.150  -4.107   1.882
   62    HH   TYR   8           HH       TYR   8 -14.734  -6.475   4.265
   63    H    VAL   9           H        VAL   9  -9.201   0.066   2.210
   64    HA   VAL   9           HA       VAL   9  -7.322   1.612   3.693
   65    HB   VAL   9           HB       VAL   9  -8.761   2.254   1.102
   66   HG11  VAL   9          1HG1      VAL   9  -6.219   3.344   2.340
   67   HG12  VAL   9          2HG1      VAL   9  -7.704   4.242   2.025
   68   HG13  VAL   9          3HG1      VAL   9  -6.728   3.656   0.680
   69   HG21  VAL   9          3HG2      VAL   9  -6.156   0.817   1.680
   70   HG22  VAL   9          1HG2      VAL   9  -6.655   1.353   0.073
   71   HG23  VAL   9          2HG2      VAL   9  -7.597   0.131   0.927
   72    H    MET  10           H        MET  10  -7.706   3.343   5.079
   73    HA   MET  10           HA       MET  10 -10.372   4.147   5.590
   74    HB2  MET  10           1HB      MET  10  -8.767   4.005   7.387
   75    HB3  MET  10           2HB      MET  10  -7.674   5.107   6.566
   76    HG2  MET  10           1HG      MET  10  -8.957   6.177   8.400
   77    HG3  MET  10           2HG      MET  10  -9.239   6.946   6.844
   78    HE1  MET  10           3HE      MET  10 -11.582   8.057   7.893
   79    HE2  MET  10           1HE      MET  10 -10.908   7.318   9.353
   80    HE3  MET  10           2HE      MET  10 -12.604   7.076   8.940
   81    H    SER  11           H        SER  11  -7.485   5.875   4.350
   82    HA   SER  11           HA       SER  11  -9.267   7.614   2.747
   83    HB2  SER  11           1HB      SER  11  -8.121   9.662   3.634
   84    HB3  SER  11           2HB      SER  11  -9.131   8.846   4.821
   85    HG   SER  11           HG       SER  11  -6.714   9.496   5.199
   86    H    VAL  12           H        VAL  12  -8.054   9.056   1.330
   87    HA   VAL  12           HA       VAL  12  -5.400   7.993   0.520
   88    HB   VAL  12           HB       VAL  12  -7.028   7.157  -1.076
   89   HG11  VAL  12          1HG1      VAL  12  -8.806   8.845  -0.525
   90   HG12  VAL  12          2HG1      VAL  12  -8.582   8.591  -2.256
   91   HG13  VAL  12          3HG1      VAL  12  -7.913  10.027  -1.485
   92   HG21  VAL  12          3HG2      VAL  12  -4.822   8.155  -1.900
   93   HG22  VAL  12          1HG2      VAL  12  -5.739   9.594  -2.353
   94   HG23  VAL  12          2HG2      VAL  12  -6.098   8.042  -3.111
   95    H    LEU  13           H        LEU  13  -3.896   9.500   0.146
   96    HA   LEU  13           HA       LEU  13  -4.731  12.320   0.459
   97    HB2  LEU  13           1HB      LEU  13  -2.363  10.769   1.346
   98    HB3  LEU  13           2HB      LEU  13  -2.023  12.409   0.820
   99    HG   LEU  13           HG       LEU  13  -3.773  13.231   2.398
  100   HD11  LEU  13          1HD1      LEU  13  -5.220  11.303   2.540
  101   HD12  LEU  13          2HD1      LEU  13  -4.538  11.539   4.146
  102   HD13  LEU  13          3HD1      LEU  13  -3.903  10.273   3.094
  103   HD21  LEU  13          3HD2      LEU  13  -2.475  12.710   4.469
  104   HD22  LEU  13          1HD2      LEU  13  -1.445  13.180   3.116
  105   HD23  LEU  13          2HD2      LEU  13  -1.587  11.480   3.568
  106    HA   PRO  14           HA       PRO  14  -3.539  13.289  -3.667
  107    HB2  PRO  14           1HB      PRO  14  -2.833  15.927  -3.443
  108    HB3  PRO  14           2HB      PRO  14  -4.516  15.377  -3.271
  109    HG2  PRO  14           1HG      PRO  14  -2.516  16.008  -1.119
  110    HG3  PRO  14           2HG      PRO  14  -4.223  16.485  -1.233
  111    HD2  PRO  14           1HD      PRO  14  -3.419  14.372   0.300
  112    HD3  PRO  14           2HD      PRO  14  -4.993  14.398  -0.534
  113    H    ASN  15           H        ASN  15  -1.746  13.795  -5.035
  114    HA   ASN  15           HA       ASN  15   0.431  13.601  -5.710
  115    HB2  ASN  15           1HB      ASN  15   0.541  15.770  -4.463
  116    HB3  ASN  15           2HB      ASN  15   1.061  14.873  -3.040
  117   HD21  ASN  15          2HD2      ASN  15   3.172  16.032  -3.146
  118   HD22  ASN  15          1HD2      ASN  15   4.335  15.565  -4.294
  119    H    MET  16           H        MET  16  -0.760  11.378  -4.216
  120    HA   MET  16           HA       MET  16   1.615  10.282  -2.859
  121    HB2  MET  16           1HB      MET  16  -1.325   9.750  -2.615
  122    HB3  MET  16           2HB      MET  16  -0.196   8.521  -2.100
  123    HG2  MET  16           1HG      MET  16  -0.045  11.387  -1.143
  124    HG3  MET  16           2HG      MET  16  -0.929  10.126  -0.292
  125    HE1  MET  16           3HE      MET  16   1.538   7.878   1.307
  126    HE2  MET  16           1HE      MET  16   0.202   7.735   0.157
  127    HE3  MET  16           2HE      MET  16   0.063   8.813   1.543
  128    HA   PRO  17           HA       PRO  17   2.493   7.320  -5.952
  129    HB2  PRO  17           1HB      PRO  17   2.327   5.076  -3.972
  130    HB3  PRO  17           2HB      PRO  17   3.698   5.588  -4.980
  131    HG2  PRO  17           1HG      PRO  17   3.639   6.083  -2.344
  132    HG3  PRO  17           2HG      PRO  17   4.354   7.234  -3.491
  133    HD2  PRO  17           1HD      PRO  17   1.696   7.328  -2.107
  134    HD3  PRO  17           2HD      PRO  17   2.827   8.637  -2.468
  135    H    ALA  18           H        ALA  18  -0.270   6.524  -3.868
  136    HA   ALA  18           HA       ALA  18  -1.386   4.711  -5.910
  137    HB1  ALA  18           3HB      ALA  18  -2.762   3.885  -4.175
  138    HB2  ALA  18           1HB      ALA  18  -2.614   5.360  -3.219
  139    HB3  ALA  18           2HB      ALA  18  -1.257   4.251  -3.345
  140    H    ALA  19           H        ALA  19  -1.582   7.920  -4.878
  141    HA   ALA  19           HA       ALA  19  -4.317   8.528  -5.296
  142    HB1  ALA  19           3HB      ALA  19  -2.934  10.210  -4.273
  143    HB2  ALA  19           1HB      ALA  19  -3.517  10.874  -5.794
  144    HB3  ALA  19           2HB      ALA  19  -1.866  10.267  -5.675
  145    H    GLY  20           H        GLY  20  -5.531   8.412  -7.089
  146    HA2  GLY  20           1HA      GLY  20  -6.061   8.897  -9.336
  147    HA3  GLY  20           2HA      GLY  20  -4.345   8.938  -9.733
  148    H    ARG  21           H        ARG  21  -4.491   6.331  -7.851
  149    HA   ARG  21           HA       ARG  21  -5.172   4.441 -10.065
  150    HB2  ARG  21           1HB      ARG  21  -3.000   4.281  -7.958
  151    HB3  ARG  21           2HB      ARG  21  -3.434   2.953  -9.032
  152    HG2  ARG  21           1HG      ARG  21  -2.896   4.343 -10.993
  153    HG3  ARG  21           2HG      ARG  21  -2.485   5.691  -9.927
  154    HD2  ARG  21           1HD      ARG  21  -0.732   4.319  -8.872
  155    HD3  ARG  21           2HD      ARG  21  -1.121   2.986  -9.944
  156    HE   ARG  21           HE       ARG  21   0.431   5.327 -10.598
  157   HH11  ARG  21          1HH2      ARG  21  -1.661   2.851 -11.832
  158   HH12  ARG  21          2HH2      ARG  21  -1.024   2.929 -13.444
  159   HH21  ARG  21          1HH1      ARG  21   1.269   5.426 -12.703
  160   HH22  ARG  21          2HH1      ARG  21   0.634   4.384 -13.938
  161    H    LEU  22           H        LEU  22  -5.456   5.282  -6.762
  162    HA   LEU  22           HA       LEU  22  -7.499   3.182  -6.326
  163    HB2  LEU  22           1HB      LEU  22  -4.974   3.528  -4.772
  164    HB3  LEU  22           2HB      LEU  22  -6.405   3.050  -3.873
  165    HG   LEU  22           HG       LEU  22  -5.391   1.610  -6.347
  166   HD11  LEU  22          1HD1      LEU  22  -4.511  -0.092  -4.794
  167   HD12  LEU  22          2HD1      LEU  22  -5.002   0.900  -3.423
  168   HD13  LEU  22          3HD1      LEU  22  -3.744   1.471  -4.519
  169   HD21  LEU  22          3HD2      LEU  22  -7.556   0.812  -6.223
  170   HD22  LEU  22          1HD2      LEU  22  -7.752   1.246  -4.524
  171   HD23  LEU  22          2HD2      LEU  22  -6.893  -0.221  -4.968
  172    H    GLU  23           H        GLU  23  -8.648   3.520  -4.218
  173    HA   GLU  23           HA       GLU  23  -8.801   6.251  -3.253
  174    HB2  GLU  23           1HB      GLU  23 -10.603   5.253  -5.361
  175    HB3  GLU  23           2HB      GLU  23 -11.489   5.863  -3.968
  176    HG2  GLU  23           1HG      GLU  23 -10.244   7.989  -4.118
  177    HG3  GLU  23           2HG      GLU  23  -9.341   7.370  -5.494
  178    H    ALA  24           H        ALA  24 -10.454   6.526  -1.650
  179    HA   ALA  24           HA       ALA  24 -10.322   4.591   0.371
  180    HB1  ALA  24           3HB      ALA  24 -12.027   5.932   1.539
  181    HB2  ALA  24           1HB      ALA  24 -12.365   6.817   0.052
  182    HB3  ALA  24           2HB      ALA  24 -10.794   6.975   0.836
  183    H    GLY  25           H        GLY  25 -11.642   2.920   0.933
  184    HA2  GLY  25           1HA      GLY  25 -13.808   1.820   0.965
  185    HA3  GLY  25           2HA      GLY  25 -14.085   2.395  -0.679
  186    H    ASP  26           H        ASP  26 -11.183   1.779  -1.352
  187    HA   ASP  26           HA       ASP  26 -11.640  -0.901  -2.304
  188    HB2  ASP  26           1HB      ASP  26  -9.519  -0.688  -3.378
  189    HB3  ASP  26           2HB      ASP  26 -10.261   0.909  -3.437
  190    H    ARG  27           H        ARG  27 -10.394  -2.812  -1.787
  191    HA   ARG  27           HA       ARG  27  -9.145  -2.791   0.916
  192    HB2  ARG  27           1HB      ARG  27  -9.969  -5.209   1.004
  193    HB3  ARG  27           2HB      ARG  27 -11.208  -3.963   1.141
  194    HG2  ARG  27           1HG      ARG  27 -11.821  -4.223  -1.187
  195    HG3  ARG  27           2HG      ARG  27 -10.474  -5.329  -1.460
  196    HD2  ARG  27           1HD      ARG  27 -11.431  -6.975   0.027
  197    HD3  ARG  27           2HD      ARG  27 -12.705  -5.874   0.527
  198    HE   ARG  27           HE       ARG  27 -12.640  -7.464  -1.874
  199   HH11  ARG  27          1HH2      ARG  27 -13.769  -4.524  -0.427
  200   HH12  ARG  27          2HH2      ARG  27 -15.131  -4.361  -1.490
  201   HH21  ARG  27          1HH1      ARG  27 -14.428  -7.256  -3.270
  202   HH22  ARG  27          2HH1      ARG  27 -15.502  -5.903  -3.096
  203    H    ILE  28           H        ILE  28  -7.419  -4.180   1.224
  204    HA   ILE  28           HA       ILE  28  -5.893  -4.780  -1.231
  205    HB   ILE  28           HB       ILE  28  -4.880  -4.872   1.627
  206   HG12  ILE  28          1HG1      ILE  28  -5.733  -2.631   1.283
  207   HG13  ILE  28          2HG1      ILE  28  -3.980  -2.570   1.138
  208   HG21  ILE  28          1HG2      ILE  28  -3.502  -4.540  -1.056
  209   HG22  ILE  28          2HG2      ILE  28  -3.499  -6.004  -0.073
  210   HG23  ILE  28          3HG2      ILE  28  -2.697  -4.548   0.513
  211   HD11  ILE  28          3HD1      ILE  28  -4.389  -2.844  -1.425
  212   HD12  ILE  28          1HD1      ILE  28  -4.747  -1.279  -0.694
  213   HD13  ILE  28          2HD1      ILE  28  -6.055  -2.402  -1.053
  214    H    ALA  29           H        ALA  29  -5.570  -6.762  -1.896
  215    HA   ALA  29           HA       ALA  29  -6.581  -9.028  -0.276
  216    HB1  ALA  29           3HB      ALA  29  -6.391 -10.265  -2.468
  217    HB2  ALA  29           1HB      ALA  29  -5.947  -8.730  -3.218
  218    HB3  ALA  29           2HB      ALA  29  -7.531  -8.923  -2.470
  219    H    ALA  30           H        ALA  30  -3.666  -7.702  -1.649
  220    HA   ALA  30           HA       ALA  30  -1.973  -9.360  -0.076
  221    HB1  ALA  30           3HB      ALA  30  -2.617 -11.077  -1.712
  222    HB2  ALA  30           1HB      ALA  30  -0.909 -10.671  -1.838
  223    HB3  ALA  30           2HB      ALA  30  -2.054 -10.032  -3.012
  224    H    ILE  31           H        ILE  31   0.197  -8.809  -0.178
  225    HA   ILE  31           HA       ILE  31   0.915  -6.540  -1.945
  226    HB   ILE  31           HB       ILE  31   1.540  -6.816   1.003
  227   HG12  ILE  31          1HG1      ILE  31   0.112  -4.624  -0.527
  228   HG13  ILE  31          2HG1      ILE  31  -0.723  -5.912   0.340
  229   HG21  ILE  31          1HG2      ILE  31   3.549  -5.964   0.030
  230   HG22  ILE  31          2HG2      ILE  31   2.696  -4.528   0.583
  231   HG23  ILE  31          3HG2      ILE  31   2.668  -4.967  -1.122
  232   HD11  ILE  31          3HD1      ILE  31  -0.634  -4.000   1.809
  233   HD12  ILE  31          1HD1      ILE  31   1.094  -3.791   1.511
  234   HD13  ILE  31          2HD1      ILE  31   0.524  -5.183   2.421
  235    H    ASP  32           H        ASP  32   2.571  -6.960  -3.137
  236    HA   ASP  32           HA       ASP  32   4.480  -7.925  -3.988
  237    HB2  ASP  32           1HB      ASP  32   5.384  -6.768  -1.948
  238    HB3  ASP  32           2HB      ASP  32   5.227  -8.290  -1.078
  239    H    GLY  33           H        GLY  33   2.105  -9.638  -2.964
  240    HA2  GLY  33           1HA      GLY  33   1.782 -11.892  -3.735
  241    HA3  GLY  33           2HA      GLY  33   3.456 -12.251  -3.341
  242    H    GLN  34           H        GLN  34   2.492 -10.449  -0.829
  243    HA   GLN  34           HA       GLN  34   1.921 -12.818   0.823
  244    HB2  GLN  34           1HB      GLN  34   2.465 -10.015   1.788
  245    HB3  GLN  34           2HB      GLN  34   2.552 -11.517   2.708
  246    HG2  GLN  34           1HG      GLN  34   4.326 -10.753   0.373
  247    HG3  GLN  34           2HG      GLN  34   4.805 -10.814   2.063
  248   HE21  GLN  34          2HE2      GLN  34   4.289 -13.140   3.099
  249   HE22  GLN  34          1HE2      GLN  34   4.727 -14.465   2.129
  250    HA   PRO  35           HA       PRO  35  -2.484 -11.492   0.664
  251    HB2  PRO  35           1HB      PRO  35  -2.729 -13.764   2.608
  252    HB3  PRO  35           2HB      PRO  35  -3.670 -13.443   1.135
  253    HG2  PRO  35           1HG      PRO  35  -1.824 -15.369   1.187
  254    HG3  PRO  35           2HG      PRO  35  -2.049 -14.354  -0.255
  255    HD2  PRO  35           1HD      PRO  35   0.116 -14.203   1.835
  256    HD3  PRO  35           2HD      PRO  35   0.205 -13.973   0.077
  257    H    ILE  36           H        ILE  36  -3.518 -10.051   2.018
  258    HA   ILE  36           HA       ILE  36  -2.324  -9.515   4.657
  259    HB   ILE  36           HB       ILE  36  -4.376  -7.882   3.160
  260   HG12  ILE  36          1HG1      ILE  36  -2.509  -8.054   1.678
  261   HG13  ILE  36          2HG1      ILE  36  -2.375  -6.491   2.456
  262   HG21  ILE  36          1HG2      ILE  36  -4.082  -7.369   5.567
  263   HG22  ILE  36          2HG2      ILE  36  -3.500  -6.053   4.551
  264   HG23  ILE  36          3HG2      ILE  36  -2.353  -7.161   5.299
  265   HD11  ILE  36          3HD1      ILE  36  -0.183  -7.406   2.524
  266   HD12  ILE  36          1HD1      ILE  36  -0.766  -8.990   2.989
  267   HD13  ILE  36          2HD1      ILE  36  -0.816  -7.670   4.147
  268    H    ASN  37           H        ASN  37  -3.161 -10.674   6.165
  269    HA   ASN  37           HA       ASN  37  -6.092 -11.061   6.396
  270    HB2  ASN  37           1HB      ASN  37  -4.646 -13.098   6.473
  271    HB3  ASN  37           2HB      ASN  37  -3.907 -12.473   7.946
  272   HD21  ASN  37          2HD2      ASN  37  -4.794 -14.076   9.395
  273   HD22  ASN  37          1HD2      ASN  37  -6.460 -14.201   9.701
  274    H    THR  38           H        THR  38  -3.416  -9.414   7.850
  275    HA   THR  38           HA       THR  38  -5.234  -8.244   9.862
  276    HB   THR  38           HB       THR  38  -3.776  -8.625  11.700
  277    HG1  THR  38           HG1      THR  38  -1.966  -9.397   9.680
  278   HG21  THR  38          3HG2      THR  38  -5.109 -10.618  10.993
  279   HG22  THR  38          1HG2      THR  38  -3.612 -11.047  11.821
  280   HG23  THR  38          2HG2      THR  38  -3.716 -11.174  10.066
  281    H    SER  39           H        SER  39  -4.374  -6.292  10.831
  282    HA   SER  39           HA       SER  39  -3.169  -4.563   8.918
  283    HB2  SER  39           1HB      SER  39  -3.175  -2.916  10.760
  284    HB3  SER  39           2HB      SER  39  -4.725  -3.735  10.626
  285    HG   SER  39           HG       SER  39  -4.409  -4.237  12.632
  286    H    GLU  40           H        GLU  40  -1.981  -6.652  11.398
  287    HA   GLU  40           HA       GLU  40   0.541  -5.456  11.894
  288    HB2  GLU  40           1HB      GLU  40  -0.377  -8.335  12.096
  289    HB3  GLU  40           2HB      GLU  40   1.179  -7.752  12.687
  290    HG2  GLU  40           1HG      GLU  40   0.055  -6.197  14.205
  291    HG3  GLU  40           2HG      GLU  40  -1.518  -6.695  13.581
  292    H    GLN  41           H        GLN  41  -0.641  -7.666   9.426
  293    HA   GLN  41           HA       GLN  41   1.841  -8.483   8.389
  294    HB2  GLN  41           1HB      GLN  41  -0.323  -9.512   7.770
  295    HB3  GLN  41           2HB      GLN  41  -0.750  -8.052   6.885
  296    HG2  GLN  41           1HG      GLN  41   0.102  -9.703   5.315
  297    HG3  GLN  41           2HG      GLN  41   1.278  -8.400   5.436
  298   HE21  GLN  41          2HE2      GLN  41   2.944 -10.007   4.733
  299   HE22  GLN  41          1HE2      GLN  41   3.567 -11.112   5.862
  300    H    ILE  42           H        ILE  42  -0.029  -5.501   7.918
  301    HA   ILE  42           HA       ILE  42   1.509  -4.537   5.718
  302    HB   ILE  42           HB       ILE  42  -0.213  -3.046   7.712
  303   HG12  ILE  42          1HG1      ILE  42  -1.473  -4.869   6.615
  304   HG13  ILE  42          2HG1      ILE  42  -2.005  -3.301   6.010
  305   HG21  ILE  42          1HG2      ILE  42   0.747  -2.341   4.934
  306   HG22  ILE  42          2HG2      ILE  42   1.230  -1.547   6.432
  307   HG23  ILE  42          3HG2      ILE  42  -0.429  -1.409   5.848
  308   HD11  ILE  42          3HD1      ILE  42  -0.406  -5.422   4.623
  309   HD12  ILE  42          1HD1      ILE  42  -0.187  -3.751   4.129
  310   HD13  ILE  42          2HD1      ILE  42  -1.777  -4.497   4.021
  311    H    VAL  43           H        VAL  43   1.833  -4.499   9.165
  312    HA   VAL  43           HA       VAL  43   3.643  -2.314   9.393
  313    HB   VAL  43           HB       VAL  43   3.325  -4.730  11.185
  314   HG11  VAL  43          1HG1      VAL  43   4.233  -3.135  12.920
  315   HG12  VAL  43          2HG1      VAL  43   4.638  -2.035  11.600
  316   HG13  VAL  43          3HG1      VAL  43   5.401  -3.623  11.694
  317   HG21  VAL  43          3HG2      VAL  43   2.075  -1.972  11.360
  318   HG22  VAL  43          1HG2      VAL  43   1.808  -3.311  12.477
  319   HG23  VAL  43          2HG2      VAL  43   1.236  -3.423  10.816
  320    H    SER  44           H        SER  44   4.060  -5.809   8.990
  321    HA   SER  44           HA       SER  44   6.888  -5.842   9.144
  322    HB2  SER  44           1HB      SER  44   5.525  -7.897   9.292
  323    HB3  SER  44           2HB      SER  44   5.050  -7.703   7.609
  324    HG   SER  44           HG       SER  44   6.872  -9.129   7.983
  325    H    TYR  45           H        TYR  45   4.637  -5.434   6.466
  326    HA   TYR  45           HA       TYR  45   6.451  -5.493   4.334
  327    HB2  TYR  45           1HB      TYR  45   4.295  -5.420   3.499
  328    HB3  TYR  45           2HB      TYR  45   3.726  -4.408   4.818
  329    HD1  TYR  45           HD2      TYR  45   6.257  -4.071   2.065
  330    HD2  TYR  45           HD1      TYR  45   2.917  -2.305   4.096
  331    HE1  TYR  45           HE2      TYR  45   6.385  -2.090   0.592
  332    HE2  TYR  45           HE1      TYR  45   3.052  -0.331   2.621
  333    HH   TYR  45           HH       TYR  45   4.053  -0.017   0.083
  334    H    VAL  46           H        VAL  46   5.217  -2.532   5.957
  335    HA   VAL  46           HA       VAL  46   6.931  -0.734   4.684
  336    HB   VAL  46           HB       VAL  46   5.847  -0.583   7.510
  337   HG11  VAL  46          1HG1      VAL  46   6.806   1.594   5.646
  338   HG12  VAL  46          2HG1      VAL  46   7.625   1.065   7.115
  339   HG13  VAL  46          3HG1      VAL  46   6.052   1.846   7.217
  340   HG21  VAL  46          3HG2      VAL  46   4.061  -0.913   5.879
  341   HG22  VAL  46          1HG2      VAL  46   4.718   0.370   4.866
  342   HG23  VAL  46          2HG2      VAL  46   4.037   0.758   6.446
  343    H    ARG  47           H        ARG  47   7.410  -2.594   7.680
  344    HA   ARG  47           HA       ARG  47   9.914  -1.499   8.381
  345    HB2  ARG  47           1HB      ARG  47   8.490  -2.833   9.916
  346    HB3  ARG  47           2HB      ARG  47   8.854  -4.274   8.972
  347    HG2  ARG  47           1HG      ARG  47  11.245  -4.029   9.460
  348    HG3  ARG  47           2HG      ARG  47  10.929  -2.537  10.332
  349    HD2  ARG  47           1HD      ARG  47   9.584  -3.760  11.982
  350    HD3  ARG  47           2HD      ARG  47   9.857  -5.268  11.093
  351    HE   ARG  47           HE       ARG  47  12.236  -3.788  11.947
  352   HH11  ARG  47          1HH2      ARG  47  10.018  -6.395  12.546
  353   HH12  ARG  47          2HH2      ARG  47  11.130  -7.270  13.552
  354   HH21  ARG  47          1HH1      ARG  47  13.674  -4.931  13.232
  355   HH22  ARG  47          2HH1      ARG  47  13.198  -6.442  13.940
  356    H    GLU  48           H        GLU  48   9.084  -4.379   6.417
  357    HA   GLU  48           HA       GLU  48  11.720  -5.282   5.982
  358    HB2  GLU  48           1HB      GLU  48   9.170  -5.559   4.370
  359    HB3  GLU  48           2HB      GLU  48  10.683  -6.267   3.812
  360    HG2  GLU  48           1HG      GLU  48  10.850  -7.638   5.792
  361    HG3  GLU  48           2HG      GLU  48   9.472  -6.836   6.532
  362    H    LYS  49           H        LYS  49   9.646  -3.366   3.819
  363    HA   LYS  49           HA       LYS  49  11.882  -2.617   2.131
  364    HB2  LYS  49           1HB      LYS  49   9.088  -1.462   1.987
  365    HB3  LYS  49           2HB      LYS  49  10.258  -1.655   0.710
  366    HG2  LYS  49           1HG      LYS  49   8.924  -3.973   2.145
  367    HG3  LYS  49           2HG      LYS  49   8.432  -3.336   0.586
  368    HD2  LYS  49           1HD      LYS  49  10.743  -3.801  -0.277
  369    HD3  LYS  49           2HD      LYS  49  11.099  -4.603   1.251
  370    HE2  LYS  49           1HE      LYS  49   8.819  -5.392  -0.573
  371    HE3  LYS  49           2HE      LYS  49  10.394  -6.178  -0.558
  372    HZ1  LYS  49           3HZ      LYS  49  10.031  -6.574   1.862
  373    HZ2  LYS  49           1HZ      LYS  49   8.974  -7.420   0.842
  374    HZ3  LYS  49           2HZ      LYS  49   8.431  -6.036   1.657
  375    H    GLN  50           H        GLN  50  12.063  -0.243   1.497
  376    HA   GLN  50           HA       GLN  50  11.806   1.550   3.838
  377    HB2  GLN  50           1HB      GLN  50  14.115   2.363   3.420
  378    HB3  GLN  50           2HB      GLN  50  14.065   0.675   3.924
  379    HG2  GLN  50           1HG      GLN  50  14.196  -0.003   1.523
  380    HG3  GLN  50           2HG      GLN  50  14.373   1.694   1.086
  381   HE21  GLN  50          2HE2      GLN  50  16.561   1.979   0.553
  382   HE22  GLN  50          1HE2      GLN  50  17.859   1.427   1.501
  383    H    ALA  51           H        ALA  51  12.925   3.752   2.950
  384    HA   ALA  51           HA       ALA  51  10.989   4.838   1.161
  385    HB1  ALA  51           3HB      ALA  51  13.615   5.957   2.180
  386    HB2  ALA  51           1HB      ALA  51  12.002   6.296   2.806
  387    HB3  ALA  51           2HB      ALA  51  12.468   6.879   1.210
  388    H    GLY  52           H        GLY  52  10.986   4.946  -1.007
  389    HA2  GLY  52           1HA      GLY  52  11.968   5.296  -3.151
  390    HA3  GLY  52           2HA      GLY  52  13.509   4.715  -2.531
  391    H    ASP  53           H        ASP  53  11.502   2.554  -1.251
  392    HA   ASP  53           HA       ASP  53  12.161   0.506  -3.127
  393    HB2  ASP  53           1HB      ASP  53  11.889   0.155  -0.664
  394    HB3  ASP  53           2HB      ASP  53  10.158   0.370  -0.868
  395    H    ARG  54           H        ARG  54  10.340  -1.083  -3.760
  396    HA   ARG  54           HA       ARG  54   7.876   0.257  -4.695
  397    HB2  ARG  54           1HB      ARG  54   9.944  -1.050  -6.498
  398    HB3  ARG  54           2HB      ARG  54   8.276  -0.778  -7.001
  399    HG2  ARG  54           1HG      ARG  54   8.549   1.628  -6.553
  400    HG3  ARG  54           2HG      ARG  54  10.228   1.348  -6.100
  401    HD2  ARG  54           1HD      ARG  54  10.700   0.465  -8.356
  402    HD3  ARG  54           2HD      ARG  54   9.017   0.716  -8.802
  403    HE   ARG  54           HE       ARG  54   9.429   3.006  -8.983
  404   HH11  ARG  54          1HH2      ARG  54  12.082   1.366  -7.480
  405   HH12  ARG  54          2HH2      ARG  54  13.154   2.727  -7.575
  406   HH21  ARG  54          1HH1      ARG  54  10.821   4.788  -9.116
  407   HH22  ARG  54          2HH1      ARG  54  12.441   4.667  -8.502
  408    H    VAL  55           H        VAL  55   6.226  -1.038  -4.392
  409    HA   VAL  55           HA       VAL  55   6.618  -3.981  -4.426
  410    HB   VAL  55           HB       VAL  55   4.897  -4.025  -2.482
  411   HG11  VAL  55          1HG1      VAL  55   7.364  -4.556  -2.297
  412   HG12  VAL  55          2HG1      VAL  55   6.640  -3.915  -0.832
  413   HG13  VAL  55          3HG1      VAL  55   7.632  -2.869  -1.849
  414   HG21  VAL  55          3HG2      VAL  55   4.392  -1.540  -2.798
  415   HG22  VAL  55          1HG2      VAL  55   5.969  -1.207  -2.079
  416   HG23  VAL  55          2HG2      VAL  55   4.723  -2.035  -1.143
  417    H    ARG  56           H        ARG  56   5.232  -5.086  -5.452
  418    HA   ARG  56           HA       ARG  56   3.078  -3.865  -6.984
  419    HB2  ARG  56           1HB      ARG  56   3.740  -6.816  -6.727
  420    HB3  ARG  56           2HB      ARG  56   2.862  -6.024  -8.031
  421    HG2  ARG  56           1HG      ARG  56   5.787  -5.553  -7.348
  422    HG3  ARG  56           2HG      ARG  56   5.201  -6.538  -8.685
  423    HD2  ARG  56           1HD      ARG  56   4.985  -3.540  -8.340
  424    HD3  ARG  56           2HD      ARG  56   5.707  -4.433  -9.672
  425    HE   ARG  56           HE       ARG  56   2.905  -3.817  -9.325
  426   HH11  ARG  56          1HH2      ARG  56   5.222  -5.989 -10.714
  427   HH12  ARG  56          2HH2      ARG  56   4.167  -6.516 -11.985
  428   HH21  ARG  56          1HH1      ARG  56   1.517  -4.509 -10.973
  429   HH22  ARG  56          2HH1      ARG  56   2.068  -5.679 -12.133
  430    H    VAL  57           H        VAL  57   1.393  -3.255  -5.778
  431    HA   VAL  57           HA       VAL  57   0.384  -5.015  -3.656
  432    HB   VAL  57           HB       VAL  57  -0.339  -2.192  -4.451
  433   HG11  VAL  57          1HG1      VAL  57  -1.375  -4.019  -2.264
  434   HG12  VAL  57          2HG1      VAL  57  -2.305  -3.116  -3.455
  435   HG13  VAL  57          3HG1      VAL  57  -1.495  -2.264  -2.141
  436   HG21  VAL  57          3HG2      VAL  57   1.869  -2.287  -3.479
  437   HG22  VAL  57          1HG2      VAL  57   1.320  -3.378  -2.208
  438   HG23  VAL  57          2HG2      VAL  57   0.774  -1.714  -2.226
  439    H    THR  58           H        THR  58  -1.474  -6.088  -3.739
  440    HA   THR  58           HA       THR  58  -3.074  -5.980  -6.245
  441    HB   THR  58           HB       THR  58  -2.997  -8.157  -4.138
  442    HG1  THR  58           HG1      THR  58  -1.321  -8.882  -5.155
  443   HG21  THR  58          3HG2      THR  58  -4.073  -9.480  -5.977
  444   HG22  THR  58          1HG2      THR  58  -4.185  -7.996  -6.923
  445   HG23  THR  58          2HG2      THR  58  -5.074  -8.143  -5.409
  446    H    PHE  59           H        PHE  59  -5.272  -5.528  -6.159
  447    HA   PHE  59           HA       PHE  59  -6.619  -5.419  -3.560
  448    HB2  PHE  59           1HB      PHE  59  -7.239  -3.118  -3.700
  449    HB3  PHE  59           2HB      PHE  59  -5.500  -3.165  -3.953
  450    HD1  PHE  59           HD1      PHE  59  -4.533  -2.800  -6.222
  451    HD2  PHE  59           HD2      PHE  59  -8.779  -2.540  -5.534
  452    HE1  PHE  59           HE1      PHE  59  -4.834  -1.654  -8.403
  453    HE2  PHE  59           HE2      PHE  59  -9.048  -1.387  -7.697
  454    HZ   PHE  59           HZ       PHE  59  -7.085  -0.938  -9.128
  455    H    ILE  60           H        ILE  60  -8.922  -5.297  -3.784
  456    HA   ILE  60           HA       ILE  60  -9.927  -6.123  -6.439
  457    HB   ILE  60           HB       ILE  60 -10.573  -6.991  -3.647
  458   HG12  ILE  60          1HG1      ILE  60 -10.644  -9.198  -4.700
  459   HG13  ILE  60          2HG1      ILE  60 -10.589  -8.466  -6.307
  460   HG21  ILE  60          1HG2      ILE  60 -12.764  -6.238  -4.250
  461   HG22  ILE  60          2HG2      ILE  60 -12.766  -7.976  -4.541
  462   HG23  ILE  60          3HG2      ILE  60 -12.603  -6.855  -5.897
  463   HD11  ILE  60          3HD1      ILE  60  -8.380  -9.411  -5.178
  464   HD12  ILE  60          1HD1      ILE  60  -8.366  -7.838  -4.378
  465   HD13  ILE  60          2HD1      ILE  60  -8.338  -7.933  -6.139
  466    H    ARG  61           H        ARG  61 -11.451  -5.102  -7.423
  467    HA   ARG  61           HA       ARG  61 -13.134  -3.143  -6.039
  468    HB2  ARG  61           1HB      ARG  61 -11.223  -1.881  -6.859
  469    HB3  ARG  61           2HB      ARG  61 -11.464  -2.511  -8.476
  470    HG2  ARG  61           1HG      ARG  61 -13.652  -1.420  -8.617
  471    HG3  ARG  61           2HG      ARG  61 -13.517  -0.879  -6.945
  472    HD2  ARG  61           1HD      ARG  61 -12.906   0.956  -8.420
  473    HD3  ARG  61           2HD      ARG  61 -11.463   0.397  -7.569
  474    HE   ARG  61           HE       ARG  61 -11.746  -0.999 -10.023
  475   HH11  ARG  61          1HH2      ARG  61 -10.924   2.118  -8.723
  476   HH12  ARG  61          2HH2      ARG  61  -9.881   2.531 -10.045
  477   HH21  ARG  61          1HH1      ARG  61 -10.393  -0.462 -11.729
  478   HH22  ARG  61          2HH1      ARG  61  -9.580   1.071 -11.747
  479    H    ASP  62           H        ASP  62 -15.139  -3.455  -6.559
  480    HA   ASP  62           HA       ASP  62 -17.044  -4.326  -7.592
  481    HB2  ASP  62           1HB      ASP  62 -15.523  -3.192  -9.954
  482    HB3  ASP  62           2HB      ASP  62 -17.204  -3.712 -10.028
  483    H    ARG  63           H        ARG  63 -15.290  -6.365  -7.033
  484    HA   ARG  63           HA       ARG  63 -14.899  -8.538  -7.513
  485    HB2  ARG  63           1HB      ARG  63 -17.321  -8.342  -8.389
  486    HB3  ARG  63           2HB      ARG  63 -16.609  -8.270  -9.997
  487    HG2  ARG  63           1HG      ARG  63 -15.537 -10.454  -9.655
  488    HG3  ARG  63           2HG      ARG  63 -16.150 -10.517  -8.007
  489    HD2  ARG  63           1HD      ARG  63 -18.454 -10.480  -8.874
  490    HD3  ARG  63           2HD      ARG  63 -17.831 -10.428 -10.522
  491    HE   ARG  63           HE       ARG  63 -17.996 -12.745  -8.831
  492   HH11  ARG  63          1HH2      ARG  63 -16.203 -11.185 -11.351
  493   HH12  ARG  63          2HH2      ARG  63 -15.565 -12.662 -12.000
  494   HH21  ARG  63          1HH1      ARG  63 -17.155 -14.683  -9.668
  495   HH22  ARG  63          2HH1      ARG  63 -16.105 -14.642 -11.048
  496    H    LYS  64           H        LYS  64 -13.648  -6.087  -9.161
  497    HA   LYS  64           HA       LYS  64 -12.143  -7.758 -11.099
  498    HB2  LYS  64           1HB      LYS  64 -12.487  -4.749 -11.081
  499    HB3  LYS  64           2HB      LYS  64 -11.670  -5.705 -12.307
  500    HG2  LYS  64           1HG      LYS  64 -13.862  -6.910 -12.700
  501    HG3  LYS  64           2HG      LYS  64 -14.616  -5.728 -11.641
  502    HD2  LYS  64           1HD      LYS  64 -13.093  -5.080 -14.167
  503    HD3  LYS  64           2HD      LYS  64 -14.845  -5.080 -14.004
  504    HE2  LYS  64           1HE      LYS  64 -14.432  -2.807 -13.654
  505    HE3  LYS  64           2HE      LYS  64 -14.272  -3.368 -11.990
  506    HZ1  LYS  64           3HZ      LYS  64 -11.951  -3.381 -12.158
  507    HZ2  LYS  64           1HZ      LYS  64 -12.419  -1.938 -12.916
  508    HZ3  LYS  64           2HZ      LYS  64 -11.976  -3.283 -13.852
  509    H    GLN  65           H        GLN  65 -10.219  -8.323 -10.361
  510    HA   GLN  65           HA       GLN  65  -8.858  -6.770  -8.308
  511    HB2  GLN  65           1HB      GLN  65  -7.334  -8.679  -8.192
  512    HB3  GLN  65           2HB      GLN  65  -9.009  -9.209  -8.059
  513    HG2  GLN  65           1HG      GLN  65  -8.984  -9.712 -10.515
  514    HG3  GLN  65           2HG      GLN  65  -7.268  -9.325 -10.535
  515   HE21  GLN  65          2HE2      GLN  65  -6.693 -11.554 -11.083
  516   HE22  GLN  65          1HE2      GLN  65  -6.803 -12.792  -9.925
  517    H    HIS  66           H        HIS  66  -6.915  -5.788  -8.522
  518    HA   HIS  66           HA       HIS  66  -5.446  -5.880 -11.043
  519    HB2  HIS  66           1HB      HIS  66  -6.640  -3.307 -10.003
  520    HB3  HIS  66           2HB      HIS  66  -5.504  -3.437 -11.336
  521    HD1  HIS  66           HD1      HIS  66  -6.373  -4.539 -13.550
  522    HD2  HIS  66           HD2      HIS  66  -9.291  -4.042 -10.608
  523    HE1  HIS  66           HE1      HIS  66  -8.607  -4.887 -14.693
  524    HE2  HIS  66           HE2      HIS  66 -10.394  -4.572 -12.920
  525    H    GLU  67           H        GLU  67  -3.353  -5.166 -10.863
  526    HA   GLU  67           HA       GLU  67  -2.240  -5.000  -8.189
  527    HB2  GLU  67           1HB      GLU  67  -0.985  -5.322 -10.916
  528    HB3  GLU  67           2HB      GLU  67  -0.048  -5.170  -9.433
  529    HG2  GLU  67           1HG      GLU  67  -1.118  -7.161  -8.513
  530    HG3  GLU  67           2HG      GLU  67  -2.136  -7.304  -9.945
  531    H    ALA  68           H        ALA  68  -1.648  -3.172  -7.283
  532    HA   ALA  68           HA       ALA  68  -1.471  -0.684  -8.869
  533    HB1  ALA  68           3HB      ALA  68  -3.141  -0.749  -7.028
  534    HB2  ALA  68           1HB      ALA  68  -1.902   0.477  -6.766
  535    HB3  ALA  68           2HB      ALA  68  -1.840  -1.046  -5.885
  536    H    GLU  69           H        GLU  69   0.366   0.156  -9.177
  537    HA   GLU  69           HA       GLU  69   2.817  -0.792  -7.863
  538    HB2  GLU  69           1HB      GLU  69   2.407   1.174 -10.142
  539    HB3  GLU  69           2HB      GLU  69   3.979   0.677  -9.518
  540    HG2  GLU  69           1HG      GLU  69   3.507  -1.655 -10.089
  541    HG3  GLU  69           2HG      GLU  69   1.896  -1.212 -10.645
  542    H    LEU  70           H        LEU  70   3.014   0.027  -5.887
  543    HA   LEU  70           HA       LEU  70   2.777   2.970  -5.476
  544    HB2  LEU  70           1HB      LEU  70   2.637   0.798  -3.378
  545    HB3  LEU  70           2HB      LEU  70   2.272   2.510  -3.169
  546    HG   LEU  70           HG       LEU  70   0.732   0.508  -4.852
  547   HD11  LEU  70          1HD1      LEU  70   0.432   0.569  -2.298
  548   HD12  LEU  70          2HD1      LEU  70  -1.029   0.756  -3.263
  549   HD13  LEU  70          3HD1      LEU  70  -0.272   2.164  -2.520
  550   HD21  LEU  70          3HD2      LEU  70   0.546   3.527  -4.681
  551   HD22  LEU  70          1HD2      LEU  70  -0.882   2.561  -5.069
  552   HD23  LEU  70          2HD2      LEU  70   0.534   2.502  -6.113
  553    H    VAL  71           H        VAL  71   4.310   4.022  -4.245
  554    HA   VAL  71           HA       VAL  71   6.900   2.638  -3.876
  555    HB   VAL  71           HB       VAL  71   6.672   5.568  -4.615
  556   HG11  VAL  71          1HG1      VAL  71   8.985   5.357  -5.164
  557   HG12  VAL  71          2HG1      VAL  71   8.902   3.598  -5.207
  558   HG13  VAL  71          3HG1      VAL  71   8.810   4.447  -3.664
  559   HG21  VAL  71          3HG2      VAL  71   6.740   3.159  -6.464
  560   HG22  VAL  71          1HG2      VAL  71   7.175   4.786  -6.982
  561   HG23  VAL  71          2HG2      VAL  71   5.538   4.445  -6.426
  562    H    LEU  72           H        LEU  72   7.786   2.807  -1.936
  563    HA   LEU  72           HA       LEU  72   6.442   3.874   0.268
  564    HB2  LEU  72           1HB      LEU  72   9.275   3.000  -0.243
  565    HB3  LEU  72           2HB      LEU  72   8.857   3.698   1.314
  566    HG   LEU  72           HG       LEU  72   8.698   1.196   1.296
  567   HD11  LEU  72          1HD1      LEU  72   5.835   2.035   1.619
  568   HD12  LEU  72          2HD1      LEU  72   7.029   2.883   2.596
  569   HD13  LEU  72          3HD1      LEU  72   6.885   1.135   2.714
  570   HD21  LEU  72          3HD2      LEU  72   6.325   1.553  -0.560
  571   HD22  LEU  72          1HD2      LEU  72   7.100   0.051  -0.074
  572   HD23  LEU  72          2HD2      LEU  72   7.933   1.152  -1.163
  573    H    LYS  73           H        LYS  73   6.059   5.884   0.837
  574    HA   LYS  73           HA       LYS  73   7.969   7.991   0.041
  575    HB2  LYS  73           1HB      LYS  73   5.871   8.094  -1.195
  576    HB3  LYS  73           2HB      LYS  73   4.983   8.236   0.323
  577    HG2  LYS  73           1HG      LYS  73   6.106  10.338   0.841
  578    HG3  LYS  73           2HG      LYS  73   7.161  10.158  -0.561
  579    HD2  LYS  73           1HD      LYS  73   5.212  10.273  -2.057
  580    HD3  LYS  73           2HD      LYS  73   4.149  10.441  -0.661
  581    HE2  LYS  73           1HE      LYS  73   4.626  12.644  -1.652
  582    HE3  LYS  73           2HE      LYS  73   5.306  12.532  -0.029
  583    HZ1  LYS  73           3HZ      LYS  73   7.400  12.568  -0.807
  584    HZ2  LYS  73           1HZ      LYS  73   6.692  13.333  -2.143
  585    HZ3  LYS  73           2HZ      LYS  73   7.030  11.670  -2.200
  586    HA   PRO  74           HA       PRO  74   7.988   8.483   4.586
  587    HB2  PRO  74           1HB      PRO  74  10.110  10.192   4.782
  588    HB3  PRO  74           2HB      PRO  74  10.319   8.458   4.453
  589    HG2  PRO  74           1HG      PRO  74  10.369  10.761   2.540
  590    HG3  PRO  74           2HG      PRO  74  11.419   9.330   2.604
  591    HD2  PRO  74           1HD      PRO  74   9.298   9.563   0.869
  592    HD3  PRO  74           2HD      PRO  74   9.889   7.998   1.464
  593    H    PHE  75           H        PHE  75   8.192  10.526   6.053
  594    HA   PHE  75           HA       PHE  75   6.154  12.389   5.102
  595    HB2  PHE  75           1HB      PHE  75   6.993  11.328   7.679
  596    HB3  PHE  75           2HB      PHE  75   6.887  13.082   7.762
  597    HD1  PHE  75           HD2      PHE  75   5.025  10.212   6.244
  598    HD2  PHE  75           HD1      PHE  75   4.755  13.924   8.398
  599    HE1  PHE  75           HE2      PHE  75   2.559   9.986   6.331
  600    HE2  PHE  75           HE1      PHE  75   2.296  13.692   8.484
  601    HZ   PHE  75           HZ       PHE  75   1.194  11.727   7.452
  602    HA   PRO  76           HA       PRO  76   8.991  15.677   4.273
  603    HB2  PRO  76           1HB      PRO  76   7.470  17.909   4.815
  604    HB3  PRO  76           2HB      PRO  76   7.204  16.876   3.395
  605    HG2  PRO  76           1HG      PRO  76   5.730  16.908   6.008
  606    HG3  PRO  76           2HG      PRO  76   5.088  16.752   4.359
  607    HD2  PRO  76           1HD      PRO  76   5.436  14.591   6.021
  608    HD3  PRO  76           2HD      PRO  76   5.566  14.474   4.248
  609    H    HIS  77           H        HIS  77   7.142  16.642   7.180
  610    HA   HIS  77           HA       HIS  77   9.639  17.596   8.442
  611    HB2  HIS  77           1HB      HIS  77   6.756  18.062   9.238
  612    HB3  HIS  77           2HB      HIS  77   8.179  18.826   9.947
  613    HD1  HIS  77           HD1      HIS  77   9.745  20.141   8.038
  614    HD2  HIS  77           HD2      HIS  77   5.716  19.540   7.140
  615    HE1  HIS  77           HE1      HIS  77   9.170  21.773   6.186
  616    HE2  HIS  77           HE2      HIS  77   6.718  21.417   5.629
  617    H    HIS  78           H        HIS  78   8.618  14.736   8.191
  618    HA   HIS  78           HA       HIS  78   9.396  13.927  10.829
  619    HB2  HIS  78           1HB      HIS  78   6.838  14.561  10.908
  620    HB3  HIS  78           2HB      HIS  78   6.605  13.024  10.086
  621    HD1  HIS  78           HD1      HIS  78   9.465  12.471  12.058
  622    HD2  HIS  78           HD2      HIS  78   5.404  12.751  12.943
  623    HE1  HIS  78           HE1      HIS  78   9.147  11.353  14.302
  624    HE2  HIS  78           HE2      HIS  78   6.674  11.513  14.858
  625    HA   PRO  79           HA       PRO  79   9.707  11.104   6.927
  626    HB2  PRO  79           1HB      PRO  79  12.532  11.097   6.935
  627    HB3  PRO  79           2HB      PRO  79  11.513  12.100   5.881
  628    HG2  PRO  79           1HG      PRO  79  12.835  12.822   8.474
  629    HG3  PRO  79           2HG      PRO  79  12.657  13.792   6.997
  630    HD2  PRO  79           1HD      PRO  79  11.080  14.240   9.129
  631    HD3  PRO  79           2HD      PRO  79  10.410  14.344   7.481
  632    H    ASN  80           H        ASN  80  10.629  11.222  10.157
  633    HA   ASN  80           HA       ASN  80  12.040   8.860  10.564
  634    HB2  ASN  80           1HB      ASN  80  11.689  10.524  12.330
  635    HB3  ASN  80           2HB      ASN  80   9.970  10.146  12.358
  636   HD21  ASN  80          2HD2      ASN  80  13.174   8.962  13.271
  637   HD22  ASN  80          1HD2      ASN  80  12.622   7.665  14.219
  638    H    GLN  81           H        GLN  81   8.927   9.211   9.258
  639    HA   GLN  81           HA       GLN  81   8.300   6.373   9.811
  640    HB2  GLN  81           1HB      GLN  81   6.665   8.815  10.310
  641    HB3  GLN  81           2HB      GLN  81   5.799   7.521   9.491
  642    HG2  GLN  81           1HG      GLN  81   5.561   7.315  11.931
  643    HG3  GLN  81           2HG      GLN  81   6.464   5.949  11.276
  644   HE21  GLN  81          2HE2      GLN  81   7.654   9.277  11.942
  645   HE22  GLN  81          1HE2      GLN  81   8.836   8.788  13.061
  646    H    ILE  82           H        ILE  82   7.050   5.355   8.202
  647    HA   ILE  82           HA       ILE  82   6.907   6.684   5.587
  648    HB   ILE  82           HB       ILE  82   8.107   3.926   5.741
  649   HG12  ILE  82          1HG1      ILE  82   9.618   6.556   5.984
  650   HG13  ILE  82          2HG1      ILE  82   9.518   5.312   7.226
  651   HG21  ILE  82          1HG2      ILE  82   7.290   5.008   3.592
  652   HG22  ILE  82          2HG2      ILE  82   8.980   4.495   3.571
  653   HG23  ILE  82          3HG2      ILE  82   8.571   6.197   3.793
  654   HD11  ILE  82          3HD1      ILE  82  11.601   4.992   6.142
  655   HD12  ILE  82          1HD1      ILE  82  10.874   5.133   4.546
  656   HD13  ILE  82          2HD1      ILE  82  10.543   3.716   5.540
  657    H    GLY  83           H        GLY  83   5.291   5.957   4.265
  658    HA2  GLY  83           1HA      GLY  83   3.428   4.783   3.596
  659    HA3  GLY  83           2HA      GLY  83   3.927   3.477   4.665
  660    H    LEU  84           H        LEU  84   3.855   6.248   6.464
  661    HA   LEU  84           HA       LEU  84   1.628   5.410   7.990
  662    HB2  LEU  84           1HB      LEU  84   3.461   6.653   8.993
  663    HB3  LEU  84           2HB      LEU  84   3.100   8.050   7.986
  664    HG   LEU  84           HG       LEU  84   0.898   8.309   9.077
  665   HD11  LEU  84          1HD1      LEU  84   0.155   6.159   9.670
  666   HD12  LEU  84          2HD1      LEU  84   0.588   6.831  11.237
  667   HD13  LEU  84          3HD1      LEU  84   1.689   5.718  10.423
  668   HD21  LEU  84          3HD2      LEU  84   1.684   9.007  11.271
  669   HD22  LEU  84          1HD2      LEU  84   2.923   9.370  10.071
  670   HD23  LEU  84          2HD2      LEU  84   3.105   7.972  11.130
  671    H    GLY  85           H        GLY  85   2.033   7.936   5.552
  672    HA2  GLY  85           1HA      GLY  85  -0.083   9.552   5.670
  673    HA3  GLY  85           2HA      GLY  85   0.409   8.847   4.135
  674    H    VAL  86           H        VAL  86  -0.336   6.226   4.409
  675    HA   VAL  86           HA       VAL  86  -3.297   6.376   4.654
  676    HB   VAL  86           HB       VAL  86  -1.618   4.501   2.969
  677   HG11  VAL  86          1HG1      VAL  86  -3.879   4.123   1.867
  678   HG12  VAL  86          2HG1      VAL  86  -4.602   5.003   3.212
  679   HG13  VAL  86          3HG1      VAL  86  -3.740   3.493   3.505
  680   HG21  VAL  86          3HG2      VAL  86  -1.458   6.853   2.205
  681   HG22  VAL  86          1HG2      VAL  86  -3.217   6.963   2.197
  682   HG23  VAL  86          2HG2      VAL  86  -2.398   5.883   1.073
  683    H    THR  87           H        THR  87  -4.403   4.494   5.421
  684    HA   THR  87           HA       THR  87  -3.161   3.349   7.720
  685    HB   THR  87           HB       THR  87  -5.596   4.006   7.477
  686    HG1  THR  87           HG1      THR  87  -6.250   2.174   8.720
  687   HG21  THR  87          3HG2      THR  87  -5.872   1.302   6.132
  688   HG22  THR  87          1HG2      THR  87  -5.883   2.828   5.245
  689   HG23  THR  87          2HG2      THR  87  -7.132   2.488   6.445
  Start of MODEL    8
    1    H1   MET   1           1H       MET   1 -14.207   2.089   6.726
    2    H2   MET   1           2H       MET   1 -13.663   3.455   7.576
    3    H3   MET   1           3H       MET   1 -15.306   3.301   7.171
    4    HA   MET   1           HA       MET   1 -13.757   1.834   9.206
    5    HB2  MET   1           1HB      MET   1 -15.067   3.996   9.662
    6    HB3  MET   1           2HB      MET   1 -16.529   3.071   9.333
    7    HG2  MET   1           1HG      MET   1 -14.492   2.193  11.404
    8    HG3  MET   1           2HG      MET   1 -15.843   3.251  11.795
    9    HE1  MET   1           3HE      MET   1 -18.047   2.337  12.644
   10    HE2  MET   1           1HE      MET   1 -18.953   1.222  11.609
   11    HE3  MET   1           2HE      MET   1 -18.277   2.702  10.938
   12    H    ASN   2           H        ASN   2 -13.832  -0.311   8.736
   13    HA   ASN   2           HA       ASN   2 -16.379  -1.660   8.770
   14    HB2  ASN   2           1HB      ASN   2 -16.237  -0.879   6.412
   15    HB3  ASN   2           2HB      ASN   2 -14.743  -1.794   6.228
   16   HD21  ASN   2          2HD2      ASN   2 -17.325  -2.240   4.816
   17   HD22  ASN   2          1HD2      ASN   2 -17.792  -3.827   5.196
   18    H    GLU   3           H        GLU   3 -13.347  -2.577   7.163
   19    HA   GLU   3           HA       GLU   3 -11.835  -4.257   7.571
   20    HB2  GLU   3           1HB      GLU   3 -12.655  -3.768  10.448
   21    HB3  GLU   3           2HB      GLU   3 -11.277  -4.735   9.938
   22    HG2  GLU   3           1HG      GLU   3 -10.269  -2.806   8.844
   23    HG3  GLU   3           2HG      GLU   3 -11.680  -1.821   9.221
   24    H    ALA   4           H        ALA   4 -13.987  -5.258   6.505
   25    HA   ALA   4           HA       ALA   4 -15.467  -7.122   8.043
   26    HB1  ALA   4           3HB      ALA   4 -16.286  -7.949   5.936
   27    HB2  ALA   4           1HB      ALA   4 -14.933  -7.226   5.069
   28    HB3  ALA   4           2HB      ALA   4 -16.151  -6.196   5.816
   29    H    LYS   5           H        LYS   5 -12.959  -7.827   5.544
   30    HA   LYS   5           HA       LYS   5 -12.255 -10.293   7.063
   31    HB2  LYS   5           1HB      LYS   5 -12.263  -9.794   4.076
   32    HB3  LYS   5           2HB      LYS   5 -11.604 -11.235   4.848
   33    HG2  LYS   5           1HG      LYS   5 -13.818 -11.711   5.845
   34    HG3  LYS   5           2HG      LYS   5 -14.478 -10.283   5.049
   35    HD2  LYS   5           1HD      LYS   5 -13.827 -11.258   2.844
   36    HD3  LYS   5           2HD      LYS   5 -13.293 -12.715   3.678
   37    HE2  LYS   5           1HE      LYS   5 -16.113 -11.595   3.733
   38    HE3  LYS   5           2HE      LYS   5 -15.583 -12.986   2.790
   39    HZ1  LYS   5           3HZ      LYS   5 -15.144 -14.207   4.734
   40    HZ2  LYS   5           1HZ      LYS   5 -16.658 -13.488   4.987
   41    HZ3  LYS   5           2HZ      LYS   5 -15.277 -12.840   5.732
   42    H    GLY   6           H        GLY   6 -10.959  -7.720   4.920
   43    HA2  GLY   6           1HA      GLY   6  -8.232  -8.274   6.006
   44    HA3  GLY   6           2HA      GLY   6  -8.556  -7.664   4.388
   45    H    VAL   7           H        VAL   7  -8.345  -5.545   4.099
   46    HA   VAL   7           HA       VAL   7  -8.841  -3.680   6.345
   47    HB   VAL   7           HB       VAL   7  -6.416  -3.544   4.531
   48   HG11  VAL   7          1HG1      VAL   7  -7.305  -1.985   6.979
   49   HG12  VAL   7          2HG1      VAL   7  -7.039  -1.362   5.352
   50   HG13  VAL   7          3HG1      VAL   7  -5.672  -1.907   6.318
   51   HG21  VAL   7          3HG2      VAL   7  -5.163  -4.218   6.599
   52   HG22  VAL   7          1HG2      VAL   7  -6.215  -5.494   5.982
   53   HG23  VAL   7          2HG2      VAL   7  -6.708  -4.544   7.383
   54    H    TYR   8           H        TYR   8  -9.171  -1.473   5.651
   55    HA   TYR   8           HA       TYR   8 -10.031  -1.164   2.822
   56    HB2  TYR   8           1HB      TYR   8 -11.494  -0.414   5.360
   57    HB3  TYR   8           2HB      TYR   8 -11.915   0.261   3.784
   58    HD1  TYR   8           HD2      TYR   8 -11.463  -2.957   5.624
   59    HD2  TYR   8           HD1      TYR   8 -13.281  -0.990   2.267
   60    HE1  TYR   8           HE2      TYR   8 -12.769  -5.007   5.130
   61    HE2  TYR   8           HE1      TYR   8 -14.580  -3.038   1.769
   62    HH   TYR   8           HH       TYR   8 -15.198  -5.050   2.542
   63    H    VAL   9           H        VAL   9  -9.477   0.688   1.850
   64    HA   VAL   9           HA       VAL   9  -7.593   2.452   3.162
   65    HB   VAL   9           HB       VAL   9  -8.833   2.471   0.395
   66   HG11  VAL   9          1HG1      VAL   9  -6.831   3.998  -0.091
   67   HG12  VAL   9          2HG1      VAL   9  -6.686   4.189   1.658
   68   HG13  VAL   9          3HG1      VAL   9  -8.146   4.720   0.834
   69   HG21  VAL   9          3HG2      VAL   9  -7.353   0.534   0.974
   70   HG22  VAL   9          1HG2      VAL   9  -6.063   1.678   1.342
   71   HG23  VAL   9          2HG2      VAL   9  -6.687   1.552  -0.301
   72    H    MET  10           H        MET  10  -8.067   4.325   4.183
   73    HA   MET  10           HA       MET  10 -10.792   5.182   4.430
   74    HB2  MET  10           1HB      MET  10  -8.296   6.634   5.333
   75    HB3  MET  10           2HB      MET  10  -9.935   6.830   5.954
   76    HG2  MET  10           1HG      MET  10  -9.847   4.338   6.573
   77    HG3  MET  10           2HG      MET  10  -8.114   4.431   6.244
   78    HE1  MET  10           3HE      MET  10  -7.564   3.652   8.696
   79    HE2  MET  10           1HE      MET  10  -9.314   3.485   8.900
   80    HE3  MET  10           2HE      MET  10  -8.356   4.318  10.121
   81    H    SER  11           H        SER  11  -7.916   7.051   3.383
   82    HA   SER  11           HA       SER  11  -9.632   8.458   1.389
   83    HB2  SER  11           1HB      SER  11  -9.157   9.808   3.475
   84    HB3  SER  11           2HB      SER  11  -7.458   9.774   3.025
   85    HG   SER  11           HG       SER  11  -7.914  10.925   1.218
   86    H    VAL  12           H        VAL  12  -8.464   9.464  -0.326
   87    HA   VAL  12           HA       VAL  12  -5.834   8.232  -0.991
   88    HB   VAL  12           HB       VAL  12  -7.565   7.084  -2.291
   89   HG11  VAL  12          1HG1      VAL  12  -9.092   8.270  -3.746
   90   HG12  VAL  12          2HG1      VAL  12  -8.335   9.814  -3.359
   91   HG13  VAL  12          3HG1      VAL  12  -9.251   8.947  -2.127
   92   HG21  VAL  12          3HG2      VAL  12  -5.343   7.758  -3.350
   93   HG22  VAL  12          1HG2      VAL  12  -6.199   9.105  -4.101
   94   HG23  VAL  12          2HG2      VAL  12  -6.651   7.448  -4.486
   95    H    LEU  13           H        LEU  13  -4.371   9.624  -1.869
   96    HA   LEU  13           HA       LEU  13  -5.238  12.433  -2.131
   97    HB2  LEU  13           1HB      LEU  13  -2.829  11.147  -0.993
   98    HB3  LEU  13           2HB      LEU  13  -2.526  12.621  -1.893
   99    HG   LEU  13           HG       LEU  13  -4.232  13.794  -0.506
  100   HD11  LEU  13          1HD1      LEU  13  -5.689  12.020   0.163
  101   HD12  LEU  13          2HD1      LEU  13  -4.906  12.564   1.640
  102   HD13  LEU  13          3HD1      LEU  13  -4.364  11.083   0.851
  103   HD21  LEU  13          3HD2      LEU  13  -1.834  13.831   0.105
  104   HD22  LEU  13          1HD2      LEU  13  -2.074  12.388   1.091
  105   HD23  LEU  13          2HD2      LEU  13  -2.870  13.898   1.531
  106    HA   PRO  14           HA       PRO  14  -4.193  12.265  -6.434
  107    HB2  PRO  14           1HB      PRO  14  -3.874  14.932  -6.987
  108    HB3  PRO  14           2HB      PRO  14  -5.461  14.215  -6.636
  109    HG2  PRO  14           1HG      PRO  14  -3.632  15.730  -4.800
  110    HG3  PRO  14           2HG      PRO  14  -5.390  15.877  -5.007
  111    HD2  PRO  14           1HD      PRO  14  -4.278  14.446  -2.955
  112    HD3  PRO  14           2HD      PRO  14  -5.839  14.012  -3.691
  113    H    ASN  15           H        ASN  15  -2.031  13.769  -4.132
  114    HA   ASN  15           HA       ASN  15   0.224  13.769  -6.045
  115    HB2  ASN  15           1HB      ASN  15  -0.038  14.877  -3.239
  116    HB3  ASN  15           2HB      ASN  15   1.421  14.967  -4.225
  117   HD21  ASN  15          2HD2      ASN  15  -0.965  16.935  -3.281
  118   HD22  ASN  15          1HD2      ASN  15  -1.186  17.865  -4.684
  119    H    MET  16           H        MET  16  -1.100  11.360  -4.569
  120    HA   MET  16           HA       MET  16   1.382  10.330  -3.339
  121    HB2  MET  16           1HB      MET  16  -1.528   9.870  -2.729
  122    HB3  MET  16           2HB      MET  16  -0.356   8.645  -2.278
  123    HG2  MET  16           1HG      MET  16   0.960  10.530  -1.115
  124    HG3  MET  16           2HG      MET  16  -0.480  11.519  -1.338
  125    HE1  MET  16           3HE      MET  16   1.207  10.225   1.378
  126    HE2  MET  16           1HE      MET  16  -0.197  10.435   2.436
  127    HE3  MET  16           2HE      MET  16   0.200  11.661   1.237
  128    HA   PRO  17           HA       PRO  17   2.000   7.240  -6.373
  129    HB2  PRO  17           1HB      PRO  17   1.845   5.117  -4.250
  130    HB3  PRO  17           2HB      PRO  17   3.129   5.422  -5.438
  131    HG2  PRO  17           1HG      PRO  17   3.433   6.102  -2.874
  132    HG3  PRO  17           2HG      PRO  17   4.065   7.131  -4.175
  133    HD2  PRO  17           1HD      PRO  17   1.635   7.538  -2.462
  134    HD3  PRO  17           2HD      PRO  17   2.755   8.726  -3.139
  135    H    ALA  18           H        ALA  18  -0.637   6.562  -4.078
  136    HA   ALA  18           HA       ALA  18  -1.890   4.553  -5.681
  137    HB1  ALA  18           3HB      ALA  18  -2.421   4.384  -3.409
  138    HB2  ALA  18           1HB      ALA  18  -3.842   5.247  -4.004
  139    HB3  ALA  18           2HB      ALA  18  -2.536   6.131  -3.210
  140    H    ALA  19           H        ALA  19  -1.657   7.867  -6.021
  141    HA   ALA  19           HA       ALA  19  -4.279   8.568  -6.856
  142    HB1  ALA  19           3HB      ALA  19  -1.718   9.778  -7.922
  143    HB2  ALA  19           1HB      ALA  19  -2.408  10.183  -6.351
  144    HB3  ALA  19           2HB      ALA  19  -3.307  10.534  -7.827
  145    H    GLY  20           H        GLY  20  -5.355   7.471  -8.389
  146    HA2  GLY  20           1HA      GLY  20  -5.880   7.111 -10.668
  147    HA3  GLY  20           2HA      GLY  20  -4.175   7.239 -11.082
  148    H    ARG  21           H        ARG  21  -3.831   5.393  -8.548
  149    HA   ARG  21           HA       ARG  21  -4.176   2.833 -10.038
  150    HB2  ARG  21           1HB      ARG  21  -2.284   3.608  -7.811
  151    HB3  ARG  21           2HB      ARG  21  -2.404   1.997  -8.512
  152    HG2  ARG  21           1HG      ARG  21  -1.798   2.893 -10.716
  153    HG3  ARG  21           2HG      ARG  21  -1.716   4.523 -10.042
  154    HD2  ARG  21           1HD      ARG  21   0.071   3.792  -8.499
  155    HD3  ARG  21           2HD      ARG  21  -0.018   2.175  -9.173
  156    HE   ARG  21           HE       ARG  21   1.104   2.925 -11.087
  157   HH11  ARG  21          1HH2      ARG  21   0.188   5.559  -9.029
  158   HH12  ARG  21          2HH2      ARG  21   1.175   6.722  -9.857
  159   HH21  ARG  21          1HH1      ARG  21   2.399   4.440 -12.164
  160   HH22  ARG  21          2HH1      ARG  21   2.424   6.090 -11.628
  161    H    LEU  22           H        LEU  22  -4.519   4.367  -6.908
  162    HA   LEU  22           HA       LEU  22  -6.476   2.298  -6.088
  163    HB2  LEU  22           1HB      LEU  22  -3.961   2.967  -4.806
  164    HB3  LEU  22           2HB      LEU  22  -5.269   3.371  -3.700
  165    HG   LEU  22           HG       LEU  22  -5.075   0.674  -5.094
  166   HD11  LEU  22          1HD1      LEU  22  -4.165  -0.171  -2.962
  167   HD12  LEU  22          2HD1      LEU  22  -4.123   1.475  -2.328
  168   HD13  LEU  22          3HD1      LEU  22  -3.089   1.026  -3.686
  169   HD21  LEU  22          3HD2      LEU  22  -6.620   1.687  -2.678
  170   HD22  LEU  22          1HD2      LEU  22  -6.595   0.012  -3.220
  171   HD23  LEU  22          2HD2      LEU  22  -7.315   1.256  -4.235
  172    H    GLU  23           H        GLU  23  -8.082   2.947  -4.581
  173    HA   GLU  23           HA       GLU  23  -8.535   5.855  -4.320
  174    HB2  GLU  23           1HB      GLU  23 -10.402   3.910  -5.698
  175    HB3  GLU  23           2HB      GLU  23 -10.903   5.503  -5.132
  176    HG2  GLU  23           1HG      GLU  23  -9.106   6.522  -6.554
  177    HG3  GLU  23           2HG      GLU  23  -8.721   4.916  -7.164
  178    H    ALA  24           H        ALA  24 -10.177   6.391  -2.839
  179    HA   ALA  24           HA       ALA  24 -10.134   4.887  -0.449
  180    HB1  ALA  24           3HB      ALA  24 -11.749   6.516   0.389
  181    HB2  ALA  24           1HB      ALA  24 -12.077   7.065  -1.255
  182    HB3  ALA  24           2HB      ALA  24 -10.494   7.343  -0.534
  183    H    GLY  25           H        GLY  25 -11.475   3.342   0.332
  184    HA2  GLY  25           1HA      GLY  25 -13.651   2.328   0.545
  185    HA3  GLY  25           2HA      GLY  25 -13.970   2.704  -1.147
  186    H    ASP  26           H        ASP  26 -11.129   1.919  -1.829
  187    HA   ASP  26           HA       ASP  26 -11.670  -0.848  -2.425
  188    HB2  ASP  26           1HB      ASP  26  -9.140   0.783  -2.718
  189    HB3  ASP  26           2HB      ASP  26  -9.380  -0.813  -3.379
  190    H    ARG  27           H        ARG  27 -10.544  -2.691  -1.681
  191    HA   ARG  27           HA       ARG  27  -9.225  -2.398   0.969
  192    HB2  ARG  27           1HB      ARG  27  -9.999  -4.740   1.374
  193    HB3  ARG  27           2HB      ARG  27 -11.311  -3.575   1.229
  194    HG2  ARG  27           1HG      ARG  27 -11.791  -4.275  -1.024
  195    HG3  ARG  27           2HG      ARG  27 -10.335  -5.266  -1.091
  196    HD2  ARG  27           1HD      ARG  27 -11.203  -6.795   0.552
  197    HD3  ARG  27           2HD      ARG  27 -12.577  -5.752   0.897
  198    HE   ARG  27           HE       ARG  27 -12.465  -6.522  -1.873
  199   HH11  ARG  27          1HH2      ARG  27 -13.341  -7.541   1.316
  200   HH12  ARG  27          2HH2      ARG  27 -14.550  -8.660   0.774
  201   HH21  ARG  27          1HH1      ARG  27 -14.042  -7.979  -2.590
  202   HH22  ARG  27          2HH1      ARG  27 -14.948  -8.908  -1.439
  203    H    ILE  28           H        ILE  28  -7.509  -3.829   1.446
  204    HA   ILE  28           HA       ILE  28  -5.930  -4.553  -0.949
  205    HB   ILE  28           HB       ILE  28  -4.960  -4.550   1.922
  206   HG12  ILE  28          1HG1      ILE  28  -5.876  -2.338   1.551
  207   HG13  ILE  28          2HG1      ILE  28  -4.122  -2.235   1.437
  208   HG21  ILE  28          1HG2      ILE  28  -2.783  -4.178   0.819
  209   HG22  ILE  28          2HG2      ILE  28  -3.571  -4.208  -0.757
  210   HG23  ILE  28          3HG2      ILE  28  -3.541  -5.662   0.244
  211   HD11  ILE  28          3HD1      ILE  28  -6.150  -2.170  -0.805
  212   HD12  ILE  28          1HD1      ILE  28  -4.447  -2.507  -1.117
  213   HD13  ILE  28          2HD1      ILE  28  -4.925  -0.968  -0.404
  214    H    ALA  29           H        ALA  29  -5.923  -6.571  -1.595
  215    HA   ALA  29           HA       ALA  29  -6.789  -8.739   0.219
  216    HB1  ALA  29           3HB      ALA  29  -6.375  -8.600  -2.772
  217    HB2  ALA  29           1HB      ALA  29  -7.906  -8.685  -1.904
  218    HB3  ALA  29           2HB      ALA  29  -6.822 -10.074  -1.910
  219    H    ALA  30           H        ALA  30  -3.958  -7.444  -1.235
  220    HA   ALA  30           HA       ALA  30  -2.211  -9.135   0.208
  221    HB1  ALA  30           3HB      ALA  30  -1.181 -10.339  -1.771
  222    HB2  ALA  30           1HB      ALA  30  -2.620  -9.881  -2.686
  223    HB3  ALA  30           2HB      ALA  30  -2.770 -10.920  -1.272
  224    H    ILE  31           H        ILE  31   0.015  -8.761  -0.235
  225    HA   ILE  31           HA       ILE  31   0.655  -6.436  -1.947
  226    HB   ILE  31           HB       ILE  31   1.475  -6.662   0.961
  227   HG12  ILE  31          1HG1      ILE  31  -0.115  -4.538  -0.501
  228   HG13  ILE  31          2HG1      ILE  31  -0.845  -5.812   0.470
  229   HG21  ILE  31          1HG2      ILE  31   3.370  -5.798  -0.253
  230   HG22  ILE  31          2HG2      ILE  31   2.568  -4.395   0.442
  231   HG23  ILE  31          3HG2      ILE  31   2.346  -4.782  -1.263
  232   HD11  ILE  31          3HD1      ILE  31  -0.673  -3.846   1.865
  233   HD12  ILE  31          1HD1      ILE  31   1.021  -3.631   1.435
  234   HD13  ILE  31          2HD1      ILE  31   0.531  -5.002   2.425
  235    H    ASP  32           H        ASP  32   2.301  -6.846  -3.207
  236    HA   ASP  32           HA       ASP  32   4.085  -7.935  -4.160
  237    HB2  ASP  32           1HB      ASP  32   5.114  -6.634  -2.254
  238    HB3  ASP  32           2HB      ASP  32   5.083  -8.120  -1.308
  239    H    GLY  33           H        GLY  33   1.806  -9.581  -3.004
  240    HA2  GLY  33           1HA      GLY  33   1.441 -11.881  -3.529
  241    HA3  GLY  33           2HA      GLY  33   3.142 -12.214  -3.226
  242    H    GLN  34           H        GLN  34   2.404 -10.259  -0.779
  243    HA   GLN  34           HA       GLN  34   2.037 -12.481   1.061
  244    HB2  GLN  34           1HB      GLN  34   2.465  -9.565   1.705
  245    HB3  GLN  34           2HB      GLN  34   2.597 -10.924   2.820
  246    HG2  GLN  34           1HG      GLN  34   4.312 -10.534   0.349
  247    HG3  GLN  34           2HG      GLN  34   4.820 -10.187   1.998
  248   HE21  GLN  34          2HE2      GLN  34   4.143 -12.321   3.503
  249   HE22  GLN  34          1HE2      GLN  34   4.749 -13.773   2.864
  250    HA   PRO  35           HA       PRO  35  -2.359 -11.389   1.360
  251    HB2  PRO  35           1HB      PRO  35  -3.175 -13.337   3.099
  252    HB3  PRO  35           2HB      PRO  35  -2.778 -13.692   1.402
  253    HG2  PRO  35           1HG      PRO  35  -1.103 -14.091   3.856
  254    HG3  PRO  35           2HG      PRO  35  -1.320 -15.163   2.459
  255    HD2  PRO  35           1HD      PRO  35   0.864 -13.505   2.765
  256    HD3  PRO  35           2HD      PRO  35   0.256 -14.025   1.176
  257    H    ILE  36           H        ILE  36  -3.310  -9.876   2.597
  258    HA   ILE  36           HA       ILE  36  -2.132  -9.213   5.220
  259    HB   ILE  36           HB       ILE  36  -4.110  -7.589   3.621
  260   HG12  ILE  36          1HG1      ILE  36  -2.249  -7.934   2.160
  261   HG13  ILE  36          2HG1      ILE  36  -2.076  -6.323   2.831
  262   HG21  ILE  36          1HG2      ILE  36  -3.759  -7.010   6.039
  263   HG22  ILE  36          2HG2      ILE  36  -3.258  -5.733   4.938
  264   HG23  ILE  36          3HG2      ILE  36  -2.047  -6.770   5.692
  265   HD11  ILE  36          3HD1      ILE  36  -0.514  -8.821   3.490
  266   HD12  ILE  36          1HD1      ILE  36  -0.564  -7.468   4.617
  267   HD13  ILE  36          2HD1      ILE  36   0.093  -7.245   2.998
  268    H    ASN  37           H        ASN  37  -3.023 -10.127   6.838
  269    HA   ASN  37           HA       ASN  37  -5.994 -10.320   7.097
  270    HB2  ASN  37           1HB      ASN  37  -5.624 -12.175   8.644
  271    HB3  ASN  37           2HB      ASN  37  -4.891 -12.516   7.082
  272   HD21  ASN  37          2HD2      ASN  37  -2.516 -12.444   6.950
  273   HD22  ASN  37          1HD2      ASN  37  -1.570 -12.525   8.358
  274    H    THR  38           H        THR  38  -3.125  -8.952   8.413
  275    HA   THR  38           HA       THR  38  -4.691  -7.733  10.615
  276    HB   THR  38           HB       THR  38  -3.523  -9.390  11.836
  277    HG1  THR  38           HG1      THR  38  -2.288  -8.171  13.107
  278   HG21  THR  38          3HG2      THR  38  -1.994 -10.085   9.986
  279   HG22  THR  38          1HG2      THR  38  -1.196  -9.958  11.552
  280   HG23  THR  38          2HG2      THR  38  -1.007  -8.685  10.361
  281    H    SER  39           H        SER  39  -3.842  -5.793  11.422
  282    HA   SER  39           HA       SER  39  -2.773  -4.080   9.421
  283    HB2  SER  39           1HB      SER  39  -3.075  -3.697  12.413
  284    HB3  SER  39           2HB      SER  39  -2.629  -2.425  11.283
  285    HG   SER  39           HG       SER  39  -5.057  -3.369  11.891
  286    H    GLU  40           H        GLU  40  -1.419  -6.181  11.825
  287    HA   GLU  40           HA       GLU  40   1.120  -4.898  12.112
  288    HB2  GLU  40           1HB      GLU  40   0.317  -7.796  12.474
  289    HB3  GLU  40           2HB      GLU  40   1.847  -7.096  13.004
  290    HG2  GLU  40           1HG      GLU  40  -0.871  -6.102  13.904
  291    HG3  GLU  40           2HG      GLU  40   0.113  -7.241  14.822
  292    H    GLN  41           H        GLN  41  -0.177  -7.258   9.859
  293    HA   GLN  41           HA       GLN  41   2.216  -8.114   8.694
  294    HB2  GLN  41           1HB      GLN  41  -0.045  -9.090   8.241
  295    HB3  GLN  41           2HB      GLN  41  -0.413  -7.682   7.250
  296    HG2  GLN  41           1HG      GLN  41   0.329  -9.454   5.787
  297    HG3  GLN  41           2HG      GLN  41   1.605  -8.243   5.841
  298   HE21  GLN  41          2HE2      GLN  41   3.469  -9.551   5.593
  299   HE22  GLN  41          1HE2      GLN  41   3.862 -10.834   6.633
  300    H    ILE  42           H        ILE  42   0.393  -5.107   8.257
  301    HA   ILE  42           HA       ILE  42   1.840  -4.237   5.948
  302    HB   ILE  42           HB       ILE  42   0.184  -2.684   7.952
  303   HG12  ILE  42          1HG1      ILE  42  -1.130  -4.506   6.972
  304   HG13  ILE  42          2HG1      ILE  42  -1.654  -2.963   6.299
  305   HG21  ILE  42          1HG2      ILE  42   1.605  -1.239   6.569
  306   HG22  ILE  42          2HG2      ILE  42  -0.084  -1.074   6.093
  307   HG23  ILE  42          3HG2      ILE  42   1.011  -2.040   5.115
  308   HD11  ILE  42          3HD1      ILE  42  -0.124  -5.186   4.986
  309   HD12  ILE  42          1HD1      ILE  42   0.112  -3.547   4.388
  310   HD13  ILE  42          2HD1      ILE  42  -1.492  -4.268   4.373
  311    H    VAL  43           H        VAL  43   2.332  -4.116   9.386
  312    HA   VAL  43           HA       VAL  43   4.150  -1.899   9.432
  313    HB   VAL  43           HB       VAL  43   3.789  -4.195  11.374
  314   HG11  VAL  43          1HG1      VAL  43   5.926  -3.159  11.775
  315   HG12  VAL  43          2HG1      VAL  43   4.811  -2.549  12.994
  316   HG13  VAL  43          3HG1      VAL  43   5.231  -1.546  11.607
  317   HG21  VAL  43          3HG2      VAL  43   2.381  -2.615  12.618
  318   HG22  VAL  43          1HG2      VAL  43   1.749  -2.827  10.985
  319   HG23  VAL  43          2HG2      VAL  43   2.665  -1.378  11.394
  320    H    SER  44           H        SER  44   4.514  -5.448   9.198
  321    HA   SER  44           HA       SER  44   7.350  -5.454   9.320
  322    HB2  SER  44           1HB      SER  44   5.993  -7.478   9.686
  323    HB3  SER  44           2HB      SER  44   5.464  -7.432   8.010
  324    HG   SER  44           HG       SER  44   7.663  -8.512   9.016
  325    H    TYR  45           H        TYR  45   5.023  -5.268   6.713
  326    HA   TYR  45           HA       TYR  45   6.781  -5.503   4.525
  327    HB2  TYR  45           1HB      TYR  45   4.623  -5.574   3.705
  328    HB3  TYR  45           2HB      TYR  45   4.019  -4.506   4.964
  329    HD1  TYR  45           HD1      TYR  45   6.563  -4.148   2.204
  330    HD2  TYR  45           HD2      TYR  45   3.021  -2.573   4.038
  331    HE1  TYR  45           HE1      TYR  45   6.576  -2.243   0.622
  332    HE2  TYR  45           HE2      TYR  45   3.031  -0.693   2.444
  333    HH   TYR  45           HH       TYR  45   4.318   0.434   0.948
  334    H    VAL  46           H        VAL  46   5.522  -2.439   5.958
  335    HA   VAL  46           HA       VAL  46   7.124  -0.746   4.427
  336    HB   VAL  46           HB       VAL  46   6.697   0.900   6.254
  337   HG11  VAL  46          1HG1      VAL  46   5.028   0.717   4.545
  338   HG12  VAL  46          2HG1      VAL  46   4.171   0.756   6.087
  339   HG13  VAL  46          3HG1      VAL  46   4.399  -0.774   5.245
  340   HG21  VAL  46          3HG2      VAL  46   5.480  -1.493   7.579
  341   HG22  VAL  46          1HG2      VAL  46   5.195   0.156   8.105
  342   HG23  VAL  46          2HG2      VAL  46   6.813  -0.528   8.178
  343    H    ARG  47           H        ARG  47   7.783  -2.353   7.510
  344    HA   ARG  47           HA       ARG  47  10.280  -1.076   7.987
  345    HB2  ARG  47           1HB      ARG  47   9.053  -3.649   8.995
  346    HB3  ARG  47           2HB      ARG  47  10.659  -3.128   9.496
  347    HG2  ARG  47           1HG      ARG  47   9.717  -1.009  10.336
  348    HG3  ARG  47           2HG      ARG  47   8.114  -1.510   9.825
  349    HD2  ARG  47           1HD      ARG  47   8.370  -1.961  12.202
  350    HD3  ARG  47           2HD      ARG  47   8.275  -3.485  11.318
  351    HE   ARG  47           HE       ARG  47  10.494  -3.914  11.881
  352   HH11  ARG  47          1HH2      ARG  47   9.642  -0.623  12.555
  353   HH12  ARG  47          2HH2      ARG  47  11.134  -0.261  13.361
  354   HH21  ARG  47          1HH1      ARG  47  12.449  -3.442  12.917
  355   HH22  ARG  47          2HH1      ARG  47  12.723  -1.857  13.565
  356    H    GLU  48           H        GLU  48   9.367  -4.009   6.208
  357    HA   GLU  48           HA       GLU  48  11.982  -5.013   5.815
  358    HB2  GLU  48           1HB      GLU  48   9.904  -6.311   5.356
  359    HB3  GLU  48           2HB      GLU  48   9.592  -5.275   3.966
  360    HG2  GLU  48           1HG      GLU  48  11.685  -5.995   2.913
  361    HG3  GLU  48           2HG      GLU  48  12.093  -6.956   4.331
  362    H    LYS  49           H        LYS  49   9.920  -3.053   3.666
  363    HA   LYS  49           HA       LYS  49  12.169  -2.463   1.898
  364    HB2  LYS  49           1HB      LYS  49   9.339  -1.390   1.744
  365    HB3  LYS  49           2HB      LYS  49  10.531  -1.465   0.473
  366    HG2  LYS  49           1HG      LYS  49   9.417  -3.942   1.818
  367    HG3  LYS  49           2HG      LYS  49   8.744  -3.257   0.346
  368    HD2  LYS  49           1HD      LYS  49  10.959  -3.511  -0.757
  369    HD3  LYS  49           2HD      LYS  49  11.575  -4.282   0.699
  370    HE2  LYS  49           1HE      LYS  49   9.941  -6.074   0.499
  371    HE3  LYS  49           2HE      LYS  49   9.236  -5.297  -0.920
  372    HZ1  LYS  49           3HZ      LYS  49  12.099  -5.710  -1.026
  373    HZ2  LYS  49           1HZ      LYS  49  10.924  -5.948  -2.224
  374    HZ3  LYS  49           2HZ      LYS  49  11.170  -7.134  -1.035
  375    H    GLN  50           H        GLN  50  12.767  -0.323   1.328
  376    HA   GLN  50           HA       GLN  50  12.544   1.609   3.568
  377    HB2  GLN  50           1HB      GLN  50  14.728   2.466   2.843
  378    HB3  GLN  50           2HB      GLN  50  14.813   0.754   3.248
  379    HG2  GLN  50           1HG      GLN  50  14.538   0.228   0.806
  380    HG3  GLN  50           2HG      GLN  50  14.646   1.953   0.471
  381   HE21  GLN  50          2HE2      GLN  50  16.500  -0.718   2.024
  382   HE22  GLN  50          1HE2      GLN  50  18.023  -0.047   1.693
  383    H    ALA  51           H        ALA  51  13.287   3.877   2.652
  384    HA   ALA  51           HA       ALA  51  11.103   4.807   1.093
  385    HB1  ALA  51           3HB      ALA  51  12.178   6.979   1.202
  386    HB2  ALA  51           1HB      ALA  51  13.713   6.239   1.651
  387    HB3  ALA  51           2HB      ALA  51  12.349   6.189   2.769
  388    H    GLY  52           H        GLY  52  10.898   5.190  -1.065
  389    HA2  GLY  52           1HA      GLY  52  11.609   5.591  -3.274
  390    HA3  GLY  52           2HA      GLY  52  13.247   5.118  -2.833
  391    H    ASP  53           H        ASP  53  11.314   2.858  -1.476
  392    HA   ASP  53           HA       ASP  53  12.018   0.846  -3.412
  393    HB2  ASP  53           1HB      ASP  53  11.910   0.410  -0.957
  394    HB3  ASP  53           2HB      ASP  53  10.160   0.564  -1.038
  395    H    ARG  54           H        ARG  54  10.272  -0.796  -4.054
  396    HA   ARG  54           HA       ARG  54   7.716   0.480  -4.847
  397    HB2  ARG  54           1HB      ARG  54   9.623  -0.905  -6.767
  398    HB3  ARG  54           2HB      ARG  54   7.990  -0.364  -7.157
  399    HG2  ARG  54           1HG      ARG  54   8.631   1.953  -6.619
  400    HG3  ARG  54           2HG      ARG  54  10.266   1.411  -6.251
  401    HD2  ARG  54           1HD      ARG  54  10.255   2.276  -8.514
  402    HD3  ARG  54           2HD      ARG  54  10.451   0.530  -8.580
  403    HE   ARG  54           HE       ARG  54   8.330   0.350  -9.546
  404   HH11  ARG  54          1HH2      ARG  54   8.906   3.548  -8.342
  405   HH12  ARG  54          2HH2      ARG  54   7.506   4.233  -9.103
  406   HH21  ARG  54          1HH1      ARG  54   6.498   1.242 -10.541
  407   HH22  ARG  54          2HH1      ARG  54   6.144   2.929 -10.345
  408    H    VAL  55           H        VAL  55   6.078  -0.865  -4.564
  409    HA   VAL  55           HA       VAL  55   6.526  -3.784  -4.688
  410    HB   VAL  55           HB       VAL  55   5.040  -3.998  -2.612
  411   HG11  VAL  55          1HG1      VAL  55   7.711  -2.633  -2.180
  412   HG12  VAL  55          2HG1      VAL  55   7.545  -4.321  -2.648
  413   HG13  VAL  55          3HG1      VAL  55   6.912  -3.772  -1.103
  414   HG21  VAL  55          3HG2      VAL  55   4.964  -2.041  -1.145
  415   HG22  VAL  55          1HG2      VAL  55   4.228  -1.645  -2.695
  416   HG23  VAL  55          2HG2      VAL  55   5.860  -1.086  -2.325
  417    H    ARG  56           H        ARG  56   5.054  -4.876  -5.634
  418    HA   ARG  56           HA       ARG  56   2.815  -3.607  -6.960
  419    HB2  ARG  56           1HB      ARG  56   3.921  -6.423  -6.855
  420    HB3  ARG  56           2HB      ARG  56   2.348  -6.121  -7.586
  421    HG2  ARG  56           1HG      ARG  56   4.109  -6.081  -9.301
  422    HG3  ARG  56           2HG      ARG  56   3.378  -4.486  -9.134
  423    HD2  ARG  56           1HD      ARG  56   5.909  -4.494  -9.266
  424    HD3  ARG  56           2HD      ARG  56   5.243  -3.670  -7.863
  425    HE   ARG  56           HE       ARG  56   5.802  -6.437  -7.325
  426   HH11  ARG  56          1HH2      ARG  56   7.174  -3.274  -7.632
  427   HH12  ARG  56          2HH2      ARG  56   8.521  -3.609  -6.595
  428   HH21  ARG  56          1HH1      ARG  56   7.558  -6.881  -5.965
  429   HH22  ARG  56          2HH1      ARG  56   8.740  -5.651  -5.651
  430    H    VAL  57           H        VAL  57   1.144  -3.014  -5.732
  431    HA   VAL  57           HA       VAL  57   0.255  -4.702  -3.493
  432    HB   VAL  57           HB       VAL  57  -0.439  -1.886  -4.369
  433   HG11  VAL  57          1HG1      VAL  57  -1.606  -1.858  -2.057
  434   HG12  VAL  57          2HG1      VAL  57  -1.556  -3.619  -2.143
  435   HG13  VAL  57          3HG1      VAL  57  -2.441  -2.707  -3.361
  436   HG21  VAL  57          3HG2      VAL  57   1.815  -2.310  -3.319
  437   HG22  VAL  57          1HG2      VAL  57   0.981  -2.916  -1.889
  438   HG23  VAL  57          2HG2      VAL  57   0.788  -1.231  -2.375
  439    H    THR  58           H        THR  58  -1.662  -5.752  -3.455
  440    HA   THR  58           HA       THR  58  -3.292  -5.764  -5.940
  441    HB   THR  58           HB       THR  58  -3.176  -7.773  -3.673
  442    HG1  THR  58           HG1      THR  58  -1.624  -8.691  -4.732
  443   HG21  THR  58          3HG2      THR  58  -4.505  -7.783  -6.396
  444   HG22  THR  58          1HG2      THR  58  -5.300  -7.860  -4.824
  445   HG23  THR  58          2HG2      THR  58  -4.326  -9.218  -5.386
  446    H    PHE  59           H        PHE  59  -5.465  -5.260  -5.844
  447    HA   PHE  59           HA       PHE  59  -6.791  -5.025  -3.241
  448    HB2  PHE  59           1HB      PHE  59  -7.385  -2.727  -3.436
  449    HB3  PHE  59           2HB      PHE  59  -5.654  -2.788  -3.712
  450    HD1  PHE  59           HD1      PHE  59  -4.713  -2.474  -5.993
  451    HD2  PHE  59           HD2      PHE  59  -8.946  -2.216  -5.265
  452    HE1  PHE  59           HE1      PHE  59  -5.042  -1.408  -8.207
  453    HE2  PHE  59           HE2      PHE  59  -9.251  -1.138  -7.462
  454    HZ   PHE  59           HZ       PHE  59  -7.306  -0.728  -8.936
  455    H    ILE  60           H        ILE  60  -9.118  -4.988  -3.428
  456    HA   ILE  60           HA       ILE  60 -10.126  -5.833  -6.072
  457    HB   ILE  60           HB       ILE  60 -10.793  -6.605  -3.254
  458   HG12  ILE  60          1HG1      ILE  60 -10.829  -8.851  -4.223
  459   HG13  ILE  60          2HG1      ILE  60 -10.728  -8.180  -5.856
  460   HG21  ILE  60          1HG2      ILE  60 -12.945  -7.674  -4.188
  461   HG22  ILE  60          2HG2      ILE  60 -12.771  -6.572  -5.559
  462   HG23  ILE  60          3HG2      ILE  60 -12.991  -5.928  -3.931
  463   HD11  ILE  60          3HD1      ILE  60  -8.481  -7.581  -5.606
  464   HD12  ILE  60          1HD1      ILE  60  -8.545  -9.066  -4.659
  465   HD13  ILE  60          2HD1      ILE  60  -8.575  -7.501  -3.848
  466    H    ARG  61           H        ARG  61 -11.585  -4.764  -7.112
  467    HA   ARG  61           HA       ARG  61 -13.279  -2.792  -5.729
  468    HB2  ARG  61           1HB      ARG  61 -11.429  -1.503  -6.600
  469    HB3  ARG  61           2HB      ARG  61 -11.574  -2.261  -8.176
  470    HG2  ARG  61           1HG      ARG  61 -13.795  -1.247  -8.484
  471    HG3  ARG  61           2HG      ARG  61 -13.721  -0.562  -6.860
  472    HD2  ARG  61           1HD      ARG  61 -13.107   1.152  -8.464
  473    HD3  ARG  61           2HD      ARG  61 -11.676   0.692  -7.545
  474    HE   ARG  61           HE       ARG  61 -10.766  -0.251  -9.477
  475   HH11  ARG  61          1HH2      ARG  61 -14.107   0.551  -9.908
  476   HH12  ARG  61          2HH2      ARG  61 -14.103   0.245 -11.613
  477   HH21  ARG  61          1HH1      ARG  61 -10.757  -0.669 -11.705
  478   HH22  ARG  61          2HH1      ARG  61 -12.206  -0.447 -12.631
  479    H    ASP  62           H        ASP  62 -15.282  -3.112  -6.223
  480    HA   ASP  62           HA       ASP  62 -17.198  -3.993  -7.200
  481    HB2  ASP  62           1HB      ASP  62 -15.654  -3.014  -9.619
  482    HB3  ASP  62           2HB      ASP  62 -17.329  -3.555  -9.690
  483    H    ARG  63           H        ARG  63 -15.369  -6.037  -6.528
  484    HA   ARG  63           HA       ARG  63 -15.051  -8.229  -6.881
  485    HB2  ARG  63           1HB      ARG  63 -16.835  -9.311  -7.832
  486    HB3  ARG  63           2HB      ARG  63 -17.479  -7.714  -8.174
  487    HG2  ARG  63           1HG      ARG  63 -16.154  -7.848 -10.419
  488    HG3  ARG  63           2HG      ARG  63 -15.942  -9.553 -10.044
  489    HD2  ARG  63           1HD      ARG  63 -17.873  -9.283 -11.469
  490    HD3  ARG  63           2HD      ARG  63 -18.412  -9.764  -9.863
  491    HE   ARG  63           HE       ARG  63 -19.427  -7.686  -9.625
  492   HH11  ARG  63          1HH2      ARG  63 -17.178  -7.662 -12.265
  493   HH12  ARG  63          2HH2      ARG  63 -17.661  -6.098 -12.838
  494   HH21  ARG  63          1HH1      ARG  63 -20.045  -5.638 -10.361
  495   HH22  ARG  63          2HH1      ARG  63 -19.283  -4.953 -11.760
  496    H    LYS  64           H        LYS  64 -13.911  -5.860  -8.850
  497    HA   LYS  64           HA       LYS  64 -12.435  -7.706 -10.639
  498    HB2  LYS  64           1HB      LYS  64 -12.809  -4.709 -10.831
  499    HB3  LYS  64           2HB      LYS  64 -12.005  -5.735 -12.012
  500    HG2  LYS  64           1HG      LYS  64 -14.192  -7.002 -12.250
  501    HG3  LYS  64           2HG      LYS  64 -14.939  -5.750 -11.270
  502    HD2  LYS  64           1HD      LYS  64 -13.450  -5.217 -13.853
  503    HD3  LYS  64           2HD      LYS  64 -15.197  -5.365 -13.730
  504    HE2  LYS  64           1HE      LYS  64 -15.081  -3.473 -11.985
  505    HE3  LYS  64           2HE      LYS  64 -13.427  -3.217 -12.540
  506    HZ1  LYS  64           3HZ      LYS  64 -14.296  -2.964 -14.803
  507    HZ2  LYS  64           1HZ      LYS  64 -14.910  -1.791 -13.745
  508    HZ3  LYS  64           2HZ      LYS  64 -15.880  -3.107 -14.208
  509    H    GLN  65           H        GLN  65 -10.609  -8.314  -9.601
  510    HA   GLN  65           HA       GLN  65  -9.159  -6.591  -7.866
  511    HB2  GLN  65           1HB      GLN  65  -7.570  -8.463  -7.760
  512    HB3  GLN  65           2HB      GLN  65  -9.225  -8.998  -7.500
  513    HG2  GLN  65           1HG      GLN  65  -8.347 -10.593  -9.019
  514    HG3  GLN  65           2HG      GLN  65  -9.280  -9.508 -10.041
  515   HE21  GLN  65          2HE2      GLN  65  -7.976  -9.849 -11.948
  516   HE22  GLN  65          1HE2      GLN  65  -6.368  -9.311 -12.047
  517    H    HIS  66           H        HIS  66  -7.232  -5.621  -8.149
  518    HA   HIS  66           HA       HIS  66  -5.831  -5.744 -10.705
  519    HB2  HIS  66           1HB      HIS  66  -7.060  -3.168  -9.716
  520    HB3  HIS  66           2HB      HIS  66  -5.926  -3.302 -11.054
  521    HD1  HIS  66           HD1      HIS  66  -6.788  -4.719 -13.167
  522    HD2  HIS  66           HD2      HIS  66  -9.677  -3.720 -10.347
  523    HE1  HIS  66           HE1      HIS  66  -9.031  -5.077 -14.291
  524    HE2  HIS  66           HE2      HIS  66 -10.810  -4.473 -12.582
  525    H    GLU  67           H        GLU  67  -3.738  -5.070 -10.586
  526    HA   GLU  67           HA       GLU  67  -2.570  -4.793  -7.959
  527    HB2  GLU  67           1HB      GLU  67  -1.368  -5.140 -10.709
  528    HB3  GLU  67           2HB      GLU  67  -0.412  -4.995  -9.236
  529    HG2  GLU  67           1HG      GLU  67  -1.470  -6.985  -8.308
  530    HG3  GLU  67           2HG      GLU  67  -2.523  -7.115  -9.716
  531    H    ALA  68           H        ALA  68  -1.780  -2.972  -7.146
  532    HA   ALA  68           HA       ALA  68  -1.708  -0.513  -8.796
  533    HB1  ALA  68           3HB      ALA  68  -3.332  -0.317  -7.032
  534    HB2  ALA  68           1HB      ALA  68  -1.939   0.653  -6.567
  535    HB3  ALA  68           2HB      ALA  68  -2.199  -0.933  -5.836
  536    H    GLU  69           H        GLU  69   0.168   0.311  -9.177
  537    HA   GLU  69           HA       GLU  69   2.615  -0.649  -7.934
  538    HB2  GLU  69           1HB      GLU  69   2.135   1.516 -10.007
  539    HB3  GLU  69           2HB      GLU  69   3.723   0.970  -9.476
  540    HG2  GLU  69           1HG      GLU  69   3.221  -0.228 -11.496
  541    HG3  GLU  69           2HG      GLU  69   3.054  -1.375 -10.169
  542    H    LEU  70           H        LEU  70   2.822   0.002  -5.887
  543    HA   LEU  70           HA       LEU  70   2.507   2.882  -5.210
  544    HB2  LEU  70           1HB      LEU  70   1.098   1.334  -3.950
  545    HB3  LEU  70           2HB      LEU  70   2.519   0.444  -3.427
  546    HG   LEU  70           HG       LEU  70   2.685   3.371  -2.864
  547   HD11  LEU  70          1HD1      LEU  70   1.155   3.247  -0.897
  548   HD12  LEU  70          2HD1      LEU  70   0.573   1.689  -1.486
  549   HD13  LEU  70          3HD1      LEU  70   0.307   3.148  -2.441
  550   HD21  LEU  70          3HD2      LEU  70   2.930   1.004  -0.982
  551   HD22  LEU  70          1HD2      LEU  70   3.600   2.624  -0.773
  552   HD23  LEU  70          2HD2      LEU  70   4.239   1.556  -2.020
  553    H    VAL  71           H        VAL  71   4.114   3.990  -4.262
  554    HA   VAL  71           HA       VAL  71   6.786   2.695  -4.076
  555    HB   VAL  71           HB       VAL  71   6.254   5.629  -4.642
  556   HG11  VAL  71          1HG1      VAL  71   8.569   5.687  -5.292
  557   HG12  VAL  71          2HG1      VAL  71   8.701   3.932  -5.221
  558   HG13  VAL  71          3HG1      VAL  71   8.511   4.861  -3.735
  559   HG21  VAL  71          3HG2      VAL  71   5.259   4.371  -6.459
  560   HG22  VAL  71          1HG2      VAL  71   6.676   3.329  -6.573
  561   HG23  VAL  71          2HG2      VAL  71   6.795   5.031  -7.020
  562    H    LEU  72           H        LEU  72   7.797   2.788  -2.157
  563    HA   LEU  72           HA       LEU  72   6.503   3.762   0.146
  564    HB2  LEU  72           1HB      LEU  72   9.271   2.745  -0.491
  565    HB3  LEU  72           2HB      LEU  72   8.911   3.350   1.118
  566    HG   LEU  72           HG       LEU  72   8.635   0.883   0.925
  567   HD11  LEU  72          1HD1      LEU  72   6.850   0.816   2.366
  568   HD12  LEU  72          2HD1      LEU  72   5.817   1.813   1.345
  569   HD13  LEU  72          3HD1      LEU  72   7.049   2.563   2.353
  570   HD21  LEU  72          3HD2      LEU  72   6.256   1.465  -0.843
  571   HD22  LEU  72          1HD2      LEU  72   6.979  -0.096  -0.480
  572   HD23  LEU  72          2HD2      LEU  72   7.834   1.050  -1.510
  573    H    LYS  73           H        LYS  73   6.530   5.655   1.134
  574    HA   LYS  73           HA       LYS  73   8.661   7.584   0.575
  575    HB2  LYS  73           1HB      LYS  73   7.099   9.370   0.098
  576    HB3  LYS  73           2HB      LYS  73   6.894   8.048  -1.051
  577    HG2  LYS  73           1HG      LYS  73   5.024   7.196   0.508
  578    HG3  LYS  73           2HG      LYS  73   5.120   8.770   1.300
  579    HD2  LYS  73           1HD      LYS  73   4.543   8.276  -1.637
  580    HD3  LYS  73           2HD      LYS  73   3.376   8.803  -0.428
  581    HE2  LYS  73           1HE      LYS  73   4.960  10.819  -0.041
  582    HE3  LYS  73           2HE      LYS  73   5.718  10.347  -1.564
  583    HZ1  LYS  73           3HZ      LYS  73   3.381  10.370  -2.498
  584    HZ2  LYS  73           1HZ      LYS  73   4.079  11.874  -2.148
  585    HZ3  LYS  73           2HZ      LYS  73   2.931  11.206  -1.088
  586    HA   PRO  74           HA       PRO  74   8.045   8.102   5.004
  587    HB2  PRO  74           1HB      PRO  74   9.751  10.170   5.476
  588    HB3  PRO  74           2HB      PRO  74  10.340   8.548   5.066
  589    HG2  PRO  74           1HG      PRO  74  10.001  10.940   3.283
  590    HG3  PRO  74           2HG      PRO  74  11.369   9.812   3.399
  591    HD2  PRO  74           1HD      PRO  74   9.460   9.590   1.452
  592    HD3  PRO  74           2HD      PRO  74  10.300   8.175   2.129
  593    H    PHE  75           H        PHE  75   7.506   9.891   6.605
  594    HA   PHE  75           HA       PHE  75   5.556  11.735   5.383
  595    HB2  PHE  75           1HB      PHE  75   5.631  10.720   8.212
  596    HB3  PHE  75           2HB      PHE  75   4.364  11.688   7.468
  597    HD1  PHE  75           HD1      PHE  75   3.420  10.734   5.165
  598    HD2  PHE  75           HD2      PHE  75   5.328   8.362   8.206
  599    HE1  PHE  75           HE1      PHE  75   2.343   8.701   4.257
  600    HE2  PHE  75           HE2      PHE  75   4.241   6.338   7.301
  601    HZ   PHE  75           HZ       PHE  75   2.748   6.503   5.324
  602    HA   PRO  76           HA       PRO  76   8.136  15.231   6.579
  603    HB2  PRO  76           1HB      PRO  76   5.520  16.528   7.329
  604    HB3  PRO  76           2HB      PRO  76   6.828  17.152   6.301
  605    HG2  PRO  76           1HG      PRO  76   4.533  16.197   5.264
  606    HG3  PRO  76           2HG      PRO  76   6.093  16.004   4.439
  607    HD2  PRO  76           1HD      PRO  76   4.462  13.942   5.865
  608    HD3  PRO  76           2HD      PRO  76   5.639  13.759   4.541
  609    H    HIS  77           H        HIS  77   5.428  14.297   8.700
  610    HA   HIS  77           HA       HIS  77   6.548  15.472  11.074
  611    HB2  HIS  77           1HB      HIS  77   4.355  13.419  10.662
  612    HB3  HIS  77           2HB      HIS  77   4.770  14.125  12.226
  613    HD1  HIS  77           HD1      HIS  77   4.280  15.679   8.767
  614    HD2  HIS  77           HD2      HIS  77   2.946  16.141  12.689
  615    HE1  HIS  77           HE1      HIS  77   2.732  17.683   8.765
  616    HE2  HIS  77           HE2      HIS  77   1.910  17.978  11.149
  617    H    HIS  78           H        HIS  78   6.515  12.243   9.641
  618    HA   HIS  78           HA       HIS  78   8.472  11.299  11.684
  619    HB2  HIS  78           1HB      HIS  78   6.561   9.585  10.091
  620    HB3  HIS  78           2HB      HIS  78   7.560   9.109  11.464
  621    HD1  HIS  78           HD1      HIS  78   4.237  10.319  10.652
  622    HD2  HIS  78           HD2      HIS  78   6.783  10.635  13.939
  623    HE1  HIS  78           HE1      HIS  78   2.794  11.022  12.611
  624    HE2  HIS  78           HE2      HIS  78   4.332  11.219  14.624
  625    HA   PRO  79           HA       PRO  79  10.382  11.403   7.380
  626    HB2  PRO  79           1HB      PRO  79  12.842  12.414   8.220
  627    HB3  PRO  79           2HB      PRO  79  11.486  13.418   7.664
  628    HG2  PRO  79           1HG      PRO  79  12.333  12.765  10.461
  629    HG3  PRO  79           2HG      PRO  79  11.751  14.302   9.792
  630    HD2  PRO  79           1HD      PRO  79  10.144  12.688  11.257
  631    HD3  PRO  79           2HD      PRO  79   9.498  13.651   9.917
  632    H    ASN  80           H        ASN  80  11.499  10.261  10.519
  633    HA   ASN  80           HA       ASN  80  13.399   8.369   9.383
  634    HB2  ASN  80           1HB      ASN  80  12.431   8.953  12.192
  635    HB3  ASN  80           2HB      ASN  80  13.621   7.704  11.811
  636   HD21  ASN  80          2HD2      ASN  80  14.219  10.018  13.456
  637   HD22  ASN  80          1HD2      ASN  80  15.374  10.947  12.627
  638    H    GLN  81           H        GLN  81  10.447   8.231   8.775
  639    HA   GLN  81           HA       GLN  81  10.109   5.374   9.398
  640    HB2  GLN  81           1HB      GLN  81   8.877   6.701  11.147
  641    HB3  GLN  81           2HB      GLN  81   7.899   7.393   9.853
  642    HG2  GLN  81           1HG      GLN  81   7.136   5.155   9.200
  643    HG3  GLN  81           2HG      GLN  81   8.153   4.432  10.445
  644   HE21  GLN  81          2HE2      GLN  81   5.346   4.013  10.486
  645   HE22  GLN  81          1HE2      GLN  81   4.692   4.835  11.821
  646    H    ILE  82           H        ILE  82   8.830   4.278   7.914
  647    HA   ILE  82           HA       ILE  82   8.079   5.774   5.458
  648    HB   ILE  82           HB       ILE  82   8.848   2.910   5.109
  649   HG12  ILE  82          1HG1      ILE  82  10.560   3.608   6.789
  650   HG13  ILE  82          2HG1      ILE  82  11.257   3.280   5.211
  651   HG21  ILE  82          1HG2      ILE  82   9.619   5.481   3.675
  652   HG22  ILE  82          2HG2      ILE  82   8.353   4.355   3.201
  653   HG23  ILE  82          3HG2      ILE  82  10.041   3.851   3.149
  654   HD11  ILE  82          3HD1      ILE  82  11.638   5.594   6.717
  655   HD12  ILE  82          1HD1      ILE  82  10.500   6.105   5.464
  656   HD13  ILE  82          2HD1      ILE  82  12.050   5.377   5.020
  657    H    GLY  83           H        GLY  83   6.132   5.305   4.543
  658    HA2  GLY  83           1HA      GLY  83   4.621   2.952   5.370
  659    HA3  GLY  83           2HA      GLY  83   3.943   4.502   5.841
  660    H    LEU  84           H        LEU  84   2.264   3.272   4.329
  661    HA   LEU  84           HA       LEU  84   2.719   3.322   1.521
  662    HB2  LEU  84           1HB      LEU  84   0.177   3.292   3.174
  663    HB3  LEU  84           2HB      LEU  84   0.204   3.115   1.422
  664    HG   LEU  84           HG       LEU  84   1.731   1.142   1.699
  665   HD11  LEU  84          1HD1      LEU  84   1.528   0.096   4.122
  666   HD12  LEU  84          2HD1      LEU  84   1.279   1.766   4.623
  667   HD13  LEU  84          3HD1      LEU  84   2.767   1.302   3.801
  668   HD21  LEU  84          3HD2      LEU  84  -0.066  -0.393   2.451
  669   HD22  LEU  84          1HD2      LEU  84  -0.692   0.855   1.371
  670   HD23  LEU  84          2HD2      LEU  84  -0.952   0.981   3.111
  671    H    GLY  85           H        GLY  85  -0.063   5.130   2.768
  672    HA2  GLY  85           1HA      GLY  85   0.909   7.744   2.457
  673    HA3  GLY  85           2HA      GLY  85   0.237   7.203   0.921
  674    H    VAL  86           H        VAL  86  -1.530   5.426   2.882
  675    HA   VAL  86           HA       VAL  86  -3.683   7.461   3.206
  676    HB   VAL  86           HB       VAL  86  -5.251   5.642   2.993
  677   HG11  VAL  86          1HG1      VAL  86  -4.388   6.645   0.921
  678   HG12  VAL  86          2HG1      VAL  86  -4.696   4.928   0.673
  679   HG13  VAL  86          3HG1      VAL  86  -3.051   5.500   0.904
  680   HG21  VAL  86          3HG2      VAL  86  -4.084   3.838   4.118
  681   HG22  VAL  86          1HG2      VAL  86  -2.773   3.887   2.941
  682   HG23  VAL  86          2HG2      VAL  86  -4.374   3.325   2.457
  683    H    THR  87           H        THR  87  -5.282   6.831   5.037
  684    HA   THR  87           HA       THR  87  -3.712   6.598   7.478
  685    HB   THR  87           HB       THR  87  -6.662   7.114   7.061
  686    HG1  THR  87           HG1      THR  87  -6.150   9.164   6.882
  687   HG21  THR  87          3HG2      THR  87  -6.453   8.111   9.352
  688   HG22  THR  87          1HG2      THR  87  -4.812   7.472   9.433
  689   HG23  THR  87          2HG2      THR  87  -6.182   6.368   9.323
  Start of MODEL    9
    1    H1   MET   1           1H       MET   1 -20.197 -17.647   1.084
    2    H2   MET   1           2H       MET   1 -20.126 -18.712  -0.239
    3    H3   MET   1           3H       MET   1 -20.174 -17.033  -0.496
    4    HA   MET   1           HA       MET   1 -17.959 -18.514   0.818
    5    HB2  MET   1           1HB      MET   1 -18.246 -17.235  -1.917
    6    HB3  MET   1           2HB      MET   1 -16.708 -17.768  -1.241
    7    HG2  MET   1           1HG      MET   1 -17.602 -20.065  -1.025
    8    HG3  MET   1           2HG      MET   1 -19.127 -19.535  -1.729
    9    HE1  MET   1           3HE      MET   1 -18.935 -17.938  -4.082
   10    HE2  MET   1           1HE      MET   1 -19.671 -19.546  -4.075
   11    HE3  MET   1           2HE      MET   1 -18.577 -19.078  -5.375
   12    H    ASN   2           H        ASN   2 -17.771 -17.103   2.563
   13    HA   ASN   2           HA       ASN   2 -16.684 -14.450   1.948
   14    HB2  ASN   2           1HB      ASN   2 -19.132 -14.869   3.681
   15    HB3  ASN   2           2HB      ASN   2 -18.225 -13.361   3.567
   16   HD21  ASN   2          2HD2      ASN   2 -20.968 -14.787   2.378
   17   HD22  ASN   2          1HD2      ASN   2 -21.055 -14.019   0.866
   18    H    GLU   3           H        GLU   3 -14.759 -15.412   2.769
   19    HA   GLU   3           HA       GLU   3 -14.698 -16.065   5.660
   20    HB2  GLU   3           1HB      GLU   3 -12.697 -16.515   3.425
   21    HB3  GLU   3           2HB      GLU   3 -12.386 -16.894   5.120
   22    HG2  GLU   3           1HG      GLU   3 -14.270 -18.437   5.162
   23    HG3  GLU   3           2HG      GLU   3 -14.695 -18.009   3.508
   24    H    ALA   4           H        ALA   4 -12.801 -15.230   6.882
   25    HA   ALA   4           HA       ALA   4 -12.633 -12.713   7.484
   26    HB1  ALA   4           3HB      ALA   4 -10.177 -14.399   6.956
   27    HB2  ALA   4           1HB      ALA   4 -11.109 -14.334   8.452
   28    HB3  ALA   4           2HB      ALA   4 -10.194 -12.922   7.921
   29    H    LYS   5           H        LYS   5 -12.390 -10.785   6.593
   30    HA   LYS   5           HA       LYS   5 -11.554 -10.552   3.801
   31    HB2  LYS   5           1HB      LYS   5 -12.613  -8.510   5.760
   32    HB3  LYS   5           2HB      LYS   5 -12.244  -8.173   4.071
   33    HG2  LYS   5           1HG      LYS   5 -13.847 -10.027   3.434
   34    HG3  LYS   5           2HG      LYS   5 -14.321 -10.114   5.128
   35    HD2  LYS   5           1HD      LYS   5 -14.466  -7.574   3.474
   36    HD3  LYS   5           2HD      LYS   5 -15.823  -8.672   3.683
   37    HE2  LYS   5           1HE      LYS   5 -15.512  -8.365   6.209
   38    HE3  LYS   5           2HE      LYS   5 -14.422  -7.037   5.813
   39    HZ1  LYS   5           3HZ      LYS   5 -16.307  -6.176   4.393
   40    HZ2  LYS   5           1HZ      LYS   5 -16.494  -6.053   6.075
   41    HZ3  LYS   5           2HZ      LYS   5 -17.301  -7.278   5.220
   42    H    GLY   6           H        GLY   6 -10.476  -7.997   3.756
   43    HA2  GLY   6           1HA      GLY   6  -7.809  -8.428   5.002
   44    HA3  GLY   6           2HA      GLY   6  -8.092  -7.591   3.481
   45    H    VAL   7           H        VAL   7  -7.779  -5.476   3.657
   46    HA   VAL   7           HA       VAL   7  -8.592  -4.069   6.147
   47    HB   VAL   7           HB       VAL   7  -6.338  -3.234   4.298
   48   HG11  VAL   7          1HG1      VAL   7  -7.187  -2.455   7.109
   49   HG12  VAL   7          2HG1      VAL   7  -7.123  -1.421   5.683
   50   HG13  VAL   7          3HG1      VAL   7  -5.632  -2.008   6.410
   51   HG21  VAL   7          3HG2      VAL   7  -4.834  -4.219   6.050
   52   HG22  VAL   7          1HG2      VAL   7  -5.769  -5.434   5.176
   53   HG23  VAL   7          2HG2      VAL   7  -6.254  -4.950   6.800
   54    H    TYR   8           H        TYR   8  -9.078  -1.743   5.797
   55    HA   TYR   8           HA       TYR   8 -10.406  -1.262   3.177
   56    HB2  TYR   8           1HB      TYR   8 -11.285  -0.684   6.014
   57    HB3  TYR   8           2HB      TYR   8 -12.011   0.137   4.631
   58    HD1  TYR   8           HD1      TYR   8 -11.506  -3.157   6.282
   59    HD2  TYR   8           HD2      TYR   8 -13.469  -1.033   3.103
   60    HE1  TYR   8           HE1      TYR   8 -12.966  -5.121   5.867
   61    HE2  TYR   8           HE2      TYR   8 -14.925  -2.991   2.693
   62    HH   TYR   8           HH       TYR   8 -14.994  -5.339   3.073
   63    H    VAL   9           H        VAL   9  -9.685   0.443   2.112
   64    HA   VAL   9           HA       VAL   9  -7.770   2.269   3.249
   65    HB   VAL   9           HB       VAL   9  -9.196   2.198   0.571
   66   HG11  VAL   9          1HG1      VAL   9  -8.501   4.466   0.901
   67   HG12  VAL   9          2HG1      VAL   9  -7.254   3.728  -0.103
   68   HG13  VAL   9          3HG1      VAL   9  -6.975   3.968   1.626
   69   HG21  VAL   9          3HG2      VAL   9  -6.366   1.448   1.362
   70   HG22  VAL   9          1HG2      VAL   9  -7.080   1.287  -0.244
   71   HG23  VAL   9          2HG2      VAL   9  -7.670   0.291   1.089
   72    H    MET  10           H        MET  10  -8.238   4.119   4.331
   73    HA   MET  10           HA       MET  10 -10.926   4.951   4.729
   74    HB2  MET  10           1HB      MET  10  -8.392   6.490   5.325
   75    HB3  MET  10           2HB      MET  10  -9.970   6.699   6.086
   76    HG2  MET  10           1HG      MET  10  -8.282   4.177   6.236
   77    HG3  MET  10           2HG      MET  10  -8.432   5.376   7.516
   78    HE1  MET  10           3HE      MET  10  -8.796   2.624   8.186
   79    HE2  MET  10           1HE      MET  10 -10.387   2.359   8.910
   80    HE3  MET  10           2HE      MET  10  -9.413   3.743   9.399
   81    H    SER  11           H        SER  11  -8.220   6.870   3.363
   82    HA   SER  11           HA       SER  11 -10.099   7.999   1.360
   83    HB2  SER  11           1HB      SER  11 -10.064   9.577   3.214
   84    HB3  SER  11           2HB      SER  11  -8.304   9.603   3.189
   85    HG   SER  11           HG       SER  11  -9.478  11.326   2.011
   86    H    VAL  12           H        VAL  12  -8.846   9.447  -0.181
   87    HA   VAL  12           HA       VAL  12  -6.195   8.279  -0.857
   88    HB   VAL  12           HB       VAL  12  -7.799   7.365  -2.426
   89   HG11  VAL  12          1HG1      VAL  12  -8.688  10.205  -3.010
   90   HG12  VAL  12          2HG1      VAL  12  -9.587   9.074  -1.998
   91   HG13  VAL  12          3HG1      VAL  12  -9.346   8.725  -3.707
   92   HG21  VAL  12          3HG2      VAL  12  -6.522   9.714  -3.863
   93   HG22  VAL  12          1HG2      VAL  12  -6.842   8.099  -4.499
   94   HG23  VAL  12          2HG2      VAL  12  -5.582   8.338  -3.290
   95    H    LEU  13           H        LEU  13  -4.639   9.752  -1.241
   96    HA   LEU  13           HA       LEU  13  -5.427  12.595  -1.269
   97    HB2  LEU  13           1HB      LEU  13  -2.807  11.455  -0.383
   98    HB3  LEU  13           2HB      LEU  13  -3.370  13.099  -0.210
   99    HG   LEU  13           HG       LEU  13  -4.620  10.663   1.079
  100   HD11  LEU  13          1HD1      LEU  13  -3.100  12.985   2.286
  101   HD12  LEU  13          2HD1      LEU  13  -2.454  11.362   2.041
  102   HD13  LEU  13          3HD1      LEU  13  -3.790  11.620   3.164
  103   HD21  LEU  13          3HD2      LEU  13  -6.437  12.173   0.760
  104   HD22  LEU  13          1HD2      LEU  13  -5.425  13.594   1.030
  105   HD23  LEU  13          2HD2      LEU  13  -5.882  12.558   2.382
  106    HA   PRO  14           HA       PRO  14  -4.065  12.446  -5.603
  107    HB2  PRO  14           1HB      PRO  14  -3.886  15.405  -5.015
  108    HB3  PRO  14           2HB      PRO  14  -4.575  14.590  -6.435
  109    HG2  PRO  14           1HG      PRO  14  -6.149  15.587  -4.521
  110    HG3  PRO  14           2HG      PRO  14  -6.549  14.057  -5.329
  111    HD2  PRO  14           1HD      PRO  14  -5.498  14.506  -2.567
  112    HD3  PRO  14           2HD      PRO  14  -6.518  13.182  -3.191
  113    H    ASN  15           H        ASN  15  -2.122  13.096  -6.770
  114    HA   ASN  15           HA       ASN  15   0.128  13.394  -7.054
  115    HB2  ASN  15           1HB      ASN  15   0.263  14.616  -4.284
  116    HB3  ASN  15           2HB      ASN  15   1.309  14.920  -5.666
  117   HD21  ASN  15          2HD2      ASN  15   0.070  15.844  -7.667
  118   HD22  ASN  15          1HD2      ASN  15  -1.137  16.991  -7.332
  119    H    MET  16           H        MET  16  -1.167  11.115  -5.428
  120    HA   MET  16           HA       MET  16   1.279  10.176  -4.066
  121    HB2  MET  16           1HB      MET  16  -1.637   9.651  -3.590
  122    HB3  MET  16           2HB      MET  16  -0.463   8.491  -3.029
  123    HG2  MET  16           1HG      MET  16  -0.292  11.437  -2.348
  124    HG3  MET  16           2HG      MET  16  -1.090  10.245  -1.326
  125    HE1  MET  16           3HE      MET  16   0.334  10.871   0.635
  126    HE2  MET  16           1HE      MET  16   1.273  12.061  -0.274
  127    HE3  MET  16           2HE      MET  16   2.094  10.846   0.703
  128    HA   PRO  17           HA       PRO  17   2.019   6.926  -6.902
  129    HB2  PRO  17           1HB      PRO  17   1.878   4.929  -4.664
  130    HB3  PRO  17           2HB      PRO  17   3.183   5.225  -5.828
  131    HG2  PRO  17           1HG      PRO  17   3.408   6.041  -3.302
  132    HG3  PRO  17           2HG      PRO  17   4.004   7.049  -4.638
  133    HD2  PRO  17           1HD      PRO  17   1.489   7.357  -3.031
  134    HD3  PRO  17           2HD      PRO  17   2.596   8.588  -3.642
  135    H    ALA  18           H        ALA  18  -0.536   6.107  -4.498
  136    HA   ALA  18           HA       ALA  18  -1.791   4.198  -6.280
  137    HB1  ALA  18           3HB      ALA  18  -1.586   4.356  -3.589
  138    HB2  ALA  18           1HB      ALA  18  -2.898   3.485  -4.383
  139    HB3  ALA  18           2HB      ALA  18  -3.156   5.128  -3.785
  140    H    ALA  19           H        ALA  19  -1.920   7.525  -5.836
  141    HA   ALA  19           HA       ALA  19  -4.682   8.021  -6.323
  142    HB1  ALA  19           3HB      ALA  19  -3.255   9.771  -5.397
  143    HB2  ALA  19           1HB      ALA  19  -3.975  10.314  -6.912
  144    HB3  ALA  19           2HB      ALA  19  -2.291   9.793  -6.874
  145    H    GLY  20           H        GLY  20  -5.828   7.997  -8.126
  146    HA2  GLY  20           1HA      GLY  20  -6.258   8.328 -10.447
  147    HA3  GLY  20           2HA      GLY  20  -4.540   8.138 -10.784
  148    H    ARG  21           H        ARG  21  -4.821   5.746  -8.774
  149    HA   ARG  21           HA       ARG  21  -5.959   3.760 -10.675
  150    HB2  ARG  21           1HB      ARG  21  -4.086   2.252  -9.966
  151    HB3  ARG  21           2HB      ARG  21  -3.581   3.645 -10.916
  152    HG2  ARG  21           1HG      ARG  21  -3.061   4.815  -8.716
  153    HG3  ARG  21           2HG      ARG  21  -3.325   3.261  -7.921
  154    HD2  ARG  21           1HD      ARG  21  -1.212   3.968  -9.980
  155    HD3  ARG  21           2HD      ARG  21  -0.972   3.415  -8.335
  156    HE   ARG  21           HE       ARG  21  -1.575   1.224  -8.972
  157   HH11  ARG  21          1HH2      ARG  21  -1.672   3.458 -11.629
  158   HH12  ARG  21          2HH2      ARG  21  -1.635   2.222 -12.839
  159   HH21  ARG  21          1HH1      ARG  21  -1.528  -0.394 -10.575
  160   HH22  ARG  21          2HH1      ARG  21  -1.557   0.054 -12.248
  161    H    LEU  22           H        LEU  22  -5.491   4.857  -7.487
  162    HA   LEU  22           HA       LEU  22  -7.199   2.669  -6.439
  163    HB2  LEU  22           1HB      LEU  22  -4.784   2.623  -5.626
  164    HB3  LEU  22           2HB      LEU  22  -5.133   4.141  -4.800
  165    HG   LEU  22           HG       LEU  22  -6.998   3.033  -3.583
  166   HD11  LEU  22          1HD1      LEU  22  -7.803   1.181  -4.739
  167   HD12  LEU  22          2HD1      LEU  22  -6.688   0.336  -3.677
  168   HD13  LEU  22          3HD1      LEU  22  -6.211   0.712  -5.334
  169   HD21  LEU  22          3HD2      LEU  22  -4.702   3.178  -2.653
  170   HD22  LEU  22          1HD2      LEU  22  -4.346   1.595  -3.349
  171   HD23  LEU  22          2HD2      LEU  22  -5.563   1.749  -2.079
  172    H    GLU  23           H        GLU  23  -8.785   3.189  -4.912
  173    HA   GLU  23           HA       GLU  23  -9.216   6.050  -4.319
  174    HB2  GLU  23           1HB      GLU  23 -11.049   4.267  -5.925
  175    HB3  GLU  23           2HB      GLU  23 -11.689   5.633  -5.020
  176    HG2  GLU  23           1HG      GLU  23  -9.452   5.870  -7.060
  177    HG3  GLU  23           2HG      GLU  23 -11.146   6.125  -7.449
  178    H    ALA  24           H        ALA  24 -10.748   6.423  -2.727
  179    HA   ALA  24           HA       ALA  24 -10.567   4.777  -0.477
  180    HB1  ALA  24           3HB      ALA  24 -12.856   6.715  -0.917
  181    HB2  ALA  24           1HB      ALA  24 -11.219   7.267  -0.579
  182    HB3  ALA  24           2HB      ALA  24 -12.073   6.274   0.601
  183    H    GLY  25           H        GLY  25 -11.807   3.094   0.279
  184    HA2  GLY  25           1HA      GLY  25 -13.924   1.930   0.452
  185    HA3  GLY  25           2HA      GLY  25 -14.243   2.318  -1.236
  186    H    ASP  26           H        ASP  26 -11.388   1.780  -1.952
  187    HA   ASP  26           HA       ASP  26 -11.685  -1.017  -2.574
  188    HB2  ASP  26           1HB      ASP  26  -9.169   0.654  -2.790
  189    HB3  ASP  26           2HB      ASP  26  -9.556  -0.802  -3.679
  190    H    ARG  27           H        ARG  27 -10.546  -2.795  -1.761
  191    HA   ARG  27           HA       ARG  27  -9.182  -2.407   0.856
  192    HB2  ARG  27           1HB      ARG  27  -9.906  -4.734   1.347
  193    HB3  ARG  27           2HB      ARG  27 -11.255  -3.622   1.142
  194    HG2  ARG  27           1HG      ARG  27 -11.739  -4.466  -1.051
  195    HG3  ARG  27           2HG      ARG  27 -10.221  -5.360  -1.122
  196    HD2  ARG  27           1HD      ARG  27 -12.399  -5.907   0.912
  197    HD3  ARG  27           2HD      ARG  27 -12.210  -6.807  -0.584
  198    HE   ARG  27           HE       ARG  27  -9.755  -6.793   0.811
  199   HH11  ARG  27          1HH2      ARG  27 -12.971  -8.080   0.929
  200   HH12  ARG  27          2HH2      ARG  27 -12.511  -9.517   1.781
  201   HH21  ARG  27          1HH1      ARG  27  -9.146  -8.675   1.917
  202   HH22  ARG  27          2HH1      ARG  27 -10.347  -9.854   2.340
  203    H    ILE  28           H        ILE  28  -7.522  -4.009   1.355
  204    HA   ILE  28           HA       ILE  28  -5.907  -4.641  -1.043
  205    HB   ILE  28           HB       ILE  28  -4.999  -4.731   1.847
  206   HG12  ILE  28          1HG1      ILE  28  -5.839  -2.492   1.481
  207   HG13  ILE  28          2HG1      ILE  28  -4.083  -2.433   1.410
  208   HG21  ILE  28          1HG2      ILE  28  -3.551  -5.860   0.215
  209   HG22  ILE  28          2HG2      ILE  28  -2.776  -4.388   0.802
  210   HG23  ILE  28          3HG2      ILE  28  -3.536  -4.412  -0.792
  211   HD11  ILE  28          3HD1      ILE  28  -6.067  -2.237  -0.857
  212   HD12  ILE  28          1HD1      ILE  28  -4.394  -2.695  -1.172
  213   HD13  ILE  28          2HD1      ILE  28  -4.758  -1.133  -0.445
  214    H    ALA  29           H        ALA  29  -5.948  -6.630  -1.772
  215    HA   ALA  29           HA       ALA  29  -6.856  -8.851  -0.051
  216    HB1  ALA  29           3HB      ALA  29  -7.943  -8.787  -2.168
  217    HB2  ALA  29           1HB      ALA  29  -6.779 -10.109  -2.275
  218    HB3  ALA  29           2HB      ALA  29  -6.422  -8.553  -3.029
  219    H    ALA  30           H        ALA  30  -3.981  -7.512  -1.349
  220    HA   ALA  30           HA       ALA  30  -2.283  -9.256   0.073
  221    HB1  ALA  30           3HB      ALA  30  -2.789 -11.019  -1.437
  222    HB2  ALA  30           1HB      ALA  30  -1.216 -10.407  -1.948
  223    HB3  ALA  30           2HB      ALA  30  -2.677  -9.951  -2.832
  224    H    ILE  31           H        ILE  31  -0.025  -9.004  -0.469
  225    HA   ILE  31           HA       ILE  31   0.670  -6.616  -2.061
  226    HB   ILE  31           HB       ILE  31   1.487  -6.928   0.845
  227   HG12  ILE  31          1HG1      ILE  31  -0.121  -4.801  -0.598
  228   HG13  ILE  31          2HG1      ILE  31  -0.805  -6.031   0.455
  229   HG21  ILE  31          1HG2      ILE  31   2.673  -4.739   0.434
  230   HG22  ILE  31          2HG2      ILE  31   2.313  -4.917  -1.280
  231   HG23  ILE  31          3HG2      ILE  31   3.363  -6.071  -0.476
  232   HD11  ILE  31          3HD1      ILE  31   1.036  -3.765   1.215
  233   HD12  ILE  31          1HD1      ILE  31   0.745  -5.139   2.271
  234   HD13  ILE  31          2HD1      ILE  31  -0.590  -4.088   1.814
  235    H    ASP  32           H        ASP  32   2.271  -7.093  -3.364
  236    HA   ASP  32           HA       ASP  32   3.985  -8.256  -4.353
  237    HB2  ASP  32           1HB      ASP  32   4.886  -7.869  -1.498
  238    HB3  ASP  32           2HB      ASP  32   5.929  -8.699  -2.650
  239    H    GLY  33           H        GLY  33   1.726  -9.835  -3.164
  240    HA2  GLY  33           1HA      GLY  33   1.331 -12.135  -3.598
  241    HA3  GLY  33           2HA      GLY  33   3.036 -12.472  -3.343
  242    H    GLN  34           H        GLN  34   2.348 -10.469  -0.891
  243    HA   GLN  34           HA       GLN  34   1.994 -12.660   1.012
  244    HB2  GLN  34           1HB      GLN  34   2.532  -9.751   1.573
  245    HB3  GLN  34           2HB      GLN  34   2.656 -11.095   2.708
  246    HG2  GLN  34           1HG      GLN  34   4.301 -10.789   0.177
  247    HG3  GLN  34           2HG      GLN  34   4.878 -10.464   1.809
  248   HE21  GLN  34          2HE2      GLN  34   5.722 -12.595  -0.225
  249   HE22  GLN  34          1HE2      GLN  34   5.591 -14.061   0.620
  250    HA   PRO  35           HA       PRO  35  -2.451 -11.460   1.077
  251    HB2  PRO  35           1HB      PRO  35  -2.539 -13.658   3.123
  252    HB3  PRO  35           2HB      PRO  35  -3.553 -13.430   1.683
  253    HG2  PRO  35           1HG      PRO  35  -1.661 -15.308   1.744
  254    HG3  PRO  35           2HG      PRO  35  -1.970 -14.373   0.264
  255    HD2  PRO  35           1HD      PRO  35   0.259 -14.045   2.268
  256    HD3  PRO  35           2HD      PRO  35   0.291 -13.946   0.500
  257    H    ILE  36           H        ILE  36  -3.393  -9.999   2.381
  258    HA   ILE  36           HA       ILE  36  -2.152  -9.380   5.001
  259    HB   ILE  36           HB       ILE  36  -4.056  -7.684   3.394
  260   HG12  ILE  36          1HG1      ILE  36  -2.087  -8.060   2.056
  261   HG13  ILE  36          2HG1      ILE  36  -2.004  -6.442   2.709
  262   HG21  ILE  36          1HG2      ILE  36  -2.173  -7.076   5.701
  263   HG22  ILE  36          2HG2      ILE  36  -3.936  -7.059   5.758
  264   HG23  ILE  36          3HG2      ILE  36  -3.078  -5.860   4.794
  265   HD11  ILE  36          3HD1      ILE  36  -0.400  -8.879   3.473
  266   HD12  ILE  36          1HD1      ILE  36  -0.580  -7.553   4.627
  267   HD13  ILE  36          2HD1      ILE  36   0.177  -7.273   3.061
  268    H    ASN  37           H        ASN  37  -3.055 -10.221   6.625
  269    HA   ASN  37           HA       ASN  37  -6.022 -10.419   6.870
  270    HB2  ASN  37           1HB      ASN  37  -5.676 -12.231   8.459
  271    HB3  ASN  37           2HB      ASN  37  -4.896 -12.603   6.925
  272   HD21  ASN  37          2HD2      ASN  37  -3.785 -14.102   8.757
  273   HD22  ASN  37          1HD2      ASN  37  -2.342 -13.466   9.389
  274    H    THR  38           H        THR  38  -3.173  -9.054   8.242
  275    HA   THR  38           HA       THR  38  -4.795  -7.817  10.406
  276    HB   THR  38           HB       THR  38  -2.834  -7.989  11.909
  277    HG1  THR  38           HG1      THR  38  -1.721  -8.833   9.625
  278   HG21  THR  38          3HG2      THR  38  -4.527  -9.652  12.217
  279   HG22  THR  38          1HG2      THR  38  -2.971 -10.478  12.268
  280   HG23  THR  38          2HG2      THR  38  -3.967 -10.567  10.818
  281    H    SER  39           H        SER  39  -3.898  -5.840  11.235
  282    HA   SER  39           HA       SER  39  -2.866  -4.142   9.138
  283    HB2  SER  39           1HB      SER  39  -3.056  -2.364  10.835
  284    HB3  SER  39           2HB      SER  39  -4.542  -3.303  10.715
  285    HG   SER  39           HG       SER  39  -4.004  -4.366  12.576
  286    H    GLU  40           H        GLU  40  -1.614  -5.839  11.917
  287    HA   GLU  40           HA       GLU  40   0.798  -4.372  12.239
  288    HB2  GLU  40           1HB      GLU  40   1.471  -6.140  13.699
  289    HB3  GLU  40           2HB      GLU  40  -0.270  -5.967  13.906
  290    HG2  GLU  40           1HG      GLU  40  -0.519  -7.826  12.170
  291    HG3  GLU  40           2HG      GLU  40   1.202  -8.104  12.335
  292    H    GLN  41           H        GLN  41  -0.193  -6.986  10.099
  293    HA   GLN  41           HA       GLN  41   2.411  -7.854   9.380
  294    HB2  GLN  41           1HB      GLN  41  -0.346  -8.099   8.200
  295    HB3  GLN  41           2HB      GLN  41   1.035  -8.565   7.207
  296    HG2  GLN  41           1HG      GLN  41   1.769 -10.152   8.904
  297    HG3  GLN  41           2HG      GLN  41   0.493  -9.635   9.995
  298   HE21  GLN  41          2HE2      GLN  41  -0.874  -9.507   6.963
  299   HE22  GLN  41          1HE2      GLN  41  -1.538 -11.067   6.888
  300    H    ILE  42           H        ILE  42   0.453  -5.100   8.454
  301    HA   ILE  42           HA       ILE  42   1.988  -4.490   6.108
  302    HB   ILE  42           HB       ILE  42  -0.015  -2.898   7.727
  303   HG12  ILE  42          1HG1      ILE  42  -0.731  -5.031   6.385
  304   HG13  ILE  42          2HG1      ILE  42  -1.652  -3.552   6.143
  305   HG21  ILE  42          1HG2      ILE  42  -0.078  -1.482   5.551
  306   HG22  ILE  42          2HG2      ILE  42   1.472  -2.231   5.170
  307   HG23  ILE  42          3HG2      ILE  42   1.302  -1.250   6.628
  308   HD11  ILE  42          3HD1      ILE  42  -0.759  -3.175   4.022
  309   HD12  ILE  42          1HD1      ILE  42  -0.853  -4.930   4.059
  310   HD13  ILE  42          2HD1      ILE  42   0.681  -4.128   4.332
  311    H    VAL  43           H        VAL  43   2.188  -3.843   9.486
  312    HA   VAL  43           HA       VAL  43   3.868  -1.507   9.319
  313    HB   VAL  43           HB       VAL  43   3.441  -3.502  11.568
  314   HG11  VAL  43          1HG1      VAL  43   4.727  -0.757  11.508
  315   HG12  VAL  43          2HG1      VAL  43   5.492  -2.277  11.965
  316   HG13  VAL  43          3HG1      VAL  43   4.246  -1.577  12.992
  317   HG21  VAL  43          3HG2      VAL  43   1.377  -2.350  10.847
  318   HG22  VAL  43          1HG2      VAL  43   2.187  -0.793  11.015
  319   HG23  VAL  43          2HG2      VAL  43   1.885  -1.788  12.438
  320    H    SER  44           H        SER  44   4.425  -4.998   9.693
  321    HA   SER  44           HA       SER  44   7.270  -4.767   9.962
  322    HB2  SER  44           1HB      SER  44   5.641  -7.147   9.038
  323    HB3  SER  44           2HB      SER  44   7.300  -7.178   9.631
  324    HG   SER  44           HG       SER  44   4.967  -7.142  11.005
  325    H    TYR  45           H        TYR  45   5.043  -5.306   7.303
  326    HA   TYR  45           HA       TYR  45   6.880  -5.907   5.269
  327    HB2  TYR  45           1HB      TYR  45   4.449  -6.176   5.042
  328    HB3  TYR  45           2HB      TYR  45   4.249  -4.426   5.037
  329    HD1  TYR  45           HD1      TYR  45   5.845  -7.269   3.227
  330    HD2  TYR  45           HD2      TYR  45   4.551  -3.176   3.015
  331    HE1  TYR  45           HE1      TYR  45   6.243  -7.265   0.777
  332    HE2  TYR  45           HE2      TYR  45   4.950  -3.179   0.575
  333    HH   TYR  45           HH       TYR  45   6.212  -6.070  -1.079
  334    H    VAL  46           H        VAL  46   5.429  -2.705   5.981
  335    HA   VAL  46           HA       VAL  46   6.921  -1.210   4.171
  336    HB   VAL  46           HB       VAL  46   6.454   0.713   5.712
  337   HG11  VAL  46          1HG1      VAL  46   4.012   0.570   5.494
  338   HG12  VAL  46          2HG1      VAL  46   4.147  -1.164   5.197
  339   HG13  VAL  46          3HG1      VAL  46   4.821  -0.019   4.042
  340   HG21  VAL  46          3HG2      VAL  46   5.339  -1.462   7.440
  341   HG22  VAL  46          1HG2      VAL  46   5.034   0.246   7.693
  342   HG23  VAL  46          2HG2      VAL  46   6.667  -0.397   7.842
  343    H    ARG  47           H        ARG  47   7.756  -2.298   7.423
  344    HA   ARG  47           HA       ARG  47  10.151  -0.796   7.684
  345    HB2  ARG  47           1HB      ARG  47   9.106  -3.296   9.003
  346    HB3  ARG  47           2HB      ARG  47  10.702  -2.672   9.398
  347    HG2  ARG  47           1HG      ARG  47   8.289  -0.845   9.515
  348    HG3  ARG  47           2HG      ARG  47   8.630  -1.929  10.854
  349    HD2  ARG  47           1HD      ARG  47  10.928  -0.932  11.017
  350    HD3  ARG  47           2HD      ARG  47  10.471   0.232   9.770
  351    HE   ARG  47           HE       ARG  47   8.555   0.210  11.866
  352   HH11  ARG  47          1HH2      ARG  47  11.772   1.266  11.073
  353   HH12  ARG  47          2HH2      ARG  47  11.731   2.606  12.171
  354   HH21  ARG  47          1HH1      ARG  47   8.506   1.938  13.272
  355   HH22  ARG  47          2HH1      ARG  47   9.876   2.986  13.420
  356    H    GLU  48           H        GLU  48   9.448  -3.960   6.265
  357    HA   GLU  48           HA       GLU  48  12.079  -4.887   5.994
  358    HB2  GLU  48           1HB      GLU  48  10.026  -6.247   5.538
  359    HB3  GLU  48           2HB      GLU  48   9.794  -5.331   4.050
  360    HG2  GLU  48           1HG      GLU  48  11.984  -6.096   3.217
  361    HG3  GLU  48           2HG      GLU  48  12.258  -6.974   4.719
  362    H    LYS  49           H        LYS  49  10.108  -2.846   3.888
  363    HA   LYS  49           HA       LYS  49  12.336  -2.418   2.020
  364    HB2  LYS  49           1HB      LYS  49   9.630  -1.107   1.752
  365    HB3  LYS  49           2HB      LYS  49  10.724  -1.647   0.503
  366    HG2  LYS  49           1HG      LYS  49   9.205  -3.522   2.346
  367    HG3  LYS  49           2HG      LYS  49   8.680  -3.071   0.747
  368    HD2  LYS  49           1HD      LYS  49  11.348  -4.383   1.297
  369    HD3  LYS  49           2HD      LYS  49   9.899  -5.269   0.858
  370    HE2  LYS  49           1HE      LYS  49   9.826  -3.675  -1.213
  371    HE3  LYS  49           2HE      LYS  49  11.522  -3.378  -0.832
  372    HZ1  LYS  49           3HZ      LYS  49  11.948  -5.718  -0.953
  373    HZ2  LYS  49           1HZ      LYS  49  11.224  -5.191  -2.393
  374    HZ3  LYS  49           2HZ      LYS  49  10.306  -6.042  -1.247
  375    H    GLN  50           H        GLN  50  13.157  -0.400   1.527
  376    HA   GLN  50           HA       GLN  50  12.988   1.564   3.714
  377    HB2  GLN  50           1HB      GLN  50  15.114   2.444   2.731
  378    HB3  GLN  50           2HB      GLN  50  15.228   0.785   3.304
  379    HG2  GLN  50           1HG      GLN  50  14.609   1.429   0.403
  380    HG3  GLN  50           2HG      GLN  50  16.260   1.285   0.992
  381   HE21  GLN  50          2HE2      GLN  50  16.684  -0.883   2.247
  382   HE22  GLN  50          1HE2      GLN  50  15.958  -2.273   1.596
  383    H    ALA  51           H        ALA  51  13.590   3.858   2.837
  384    HA   ALA  51           HA       ALA  51  11.341   4.766   1.362
  385    HB1  ALA  51           3HB      ALA  51  12.480   6.180   3.020
  386    HB2  ALA  51           1HB      ALA  51  12.455   6.969   1.443
  387    HB3  ALA  51           2HB      ALA  51  13.931   6.195   2.020
  388    H    GLY  52           H        GLY  52  11.104   5.303  -0.784
  389    HA2  GLY  52           1HA      GLY  52  11.757   5.777  -2.982
  390    HA3  GLY  52           2HA      GLY  52  13.413   5.334  -2.584
  391    H    ASP  53           H        ASP  53  11.583   2.963  -1.288
  392    HA   ASP  53           HA       ASP  53  12.325   1.044  -3.291
  393    HB2  ASP  53           1HB      ASP  53  12.230   0.478  -0.870
  394    HB3  ASP  53           2HB      ASP  53  10.486   0.658  -0.906
  395    H    ARG  54           H        ARG  54  10.538  -0.642  -3.917
  396    HA   ARG  54           HA       ARG  54   8.033   0.654  -4.791
  397    HB2  ARG  54           1HB      ARG  54   8.407  -0.555  -7.042
  398    HB3  ARG  54           2HB      ARG  54   9.324   0.919  -6.766
  399    HG2  ARG  54           1HG      ARG  54  10.651  -1.606  -5.826
  400    HG3  ARG  54           2HG      ARG  54  10.496  -1.427  -7.568
  401    HD2  ARG  54           1HD      ARG  54  11.639   0.726  -7.488
  402    HD3  ARG  54           2HD      ARG  54  11.708   0.652  -5.730
  403    HE   ARG  54           HE       ARG  54  13.501  -0.810  -5.906
  404   HH11  ARG  54          1HH2      ARG  54  11.802  -0.579  -8.917
  405   HH12  ARG  54          2HH2      ARG  54  12.987  -1.478  -9.808
  406   HH21  ARG  54          1HH1      ARG  54  15.049  -1.978  -7.058
  407   HH22  ARG  54          2HH1      ARG  54  14.829  -2.272  -8.752
  408    H    VAL  55           H        VAL  55   6.352  -0.614  -4.458
  409    HA   VAL  55           HA       VAL  55   6.712  -3.554  -4.326
  410    HB   VAL  55           HB       VAL  55   5.092  -3.493  -2.331
  411   HG11  VAL  55          1HG1      VAL  55   7.871  -2.320  -2.017
  412   HG12  VAL  55          2HG1      VAL  55   7.489  -4.038  -2.111
  413   HG13  VAL  55          3HG1      VAL  55   6.930  -3.082  -0.742
  414   HG21  VAL  55          3HG2      VAL  55   6.108  -0.635  -2.205
  415   HG22  VAL  55          1HG2      VAL  55   5.034  -1.426  -1.052
  416   HG23  VAL  55          2HG2      VAL  55   4.470  -1.089  -2.686
  417    H    ARG  56           H        ARG  56   5.303  -4.637  -5.336
  418    HA   ARG  56           HA       ARG  56   3.098  -3.393  -6.772
  419    HB2  ARG  56           1HB      ARG  56   3.980  -6.291  -6.607
  420    HB3  ARG  56           2HB      ARG  56   2.790  -5.652  -7.734
  421    HG2  ARG  56           1HG      ARG  56   5.609  -4.535  -7.638
  422    HG3  ARG  56           2HG      ARG  56   5.227  -5.959  -8.600
  423    HD2  ARG  56           1HD      ARG  56   3.554  -4.706  -9.861
  424    HD3  ARG  56           2HD      ARG  56   3.830  -3.273  -8.885
  425    HE   ARG  56           HE       ARG  56   5.561  -4.319 -10.981
  426   HH11  ARG  56          1HH2      ARG  56   5.201  -2.208  -8.247
  427   HH12  ARG  56          2HH2      ARG  56   6.487  -1.150  -8.727
  428   HH21  ARG  56          1HH1      ARG  56   7.231  -2.937 -11.609
  429   HH22  ARG  56          2HH1      ARG  56   7.638  -1.565 -10.633
  430    H    VAL  57           H        VAL  57   1.388  -2.879  -5.581
  431    HA   VAL  57           HA       VAL  57   0.475  -4.680  -3.438
  432    HB   VAL  57           HB       VAL  57  -0.243  -1.841  -4.216
  433   HG11  VAL  57          1HG1      VAL  57  -2.299  -2.694  -3.379
  434   HG12  VAL  57          2HG1      VAL  57  -1.550  -1.966  -1.959
  435   HG13  VAL  57          3HG1      VAL  57  -1.500  -3.713  -2.185
  436   HG21  VAL  57          3HG2      VAL  57   1.946  -2.294  -3.038
  437   HG22  VAL  57          1HG2      VAL  57   1.021  -2.964  -1.694
  438   HG23  VAL  57          2HG2      VAL  57   0.845  -1.264  -2.124
  439    H    THR  58           H        THR  58  -1.518  -5.632  -3.397
  440    HA   THR  58           HA       THR  58  -3.055  -5.656  -5.948
  441    HB   THR  58           HB       THR  58  -2.971  -7.738  -3.751
  442    HG1  THR  58           HG1      THR  58  -1.614  -7.442  -6.198
  443   HG21  THR  58          3HG2      THR  58  -5.062  -7.808  -4.946
  444   HG22  THR  58          1HG2      THR  58  -4.058  -9.131  -5.537
  445   HG23  THR  58          2HG2      THR  58  -4.235  -7.665  -6.499
  446    H    PHE  59           H        PHE  59  -5.235  -5.170  -5.900
  447    HA   PHE  59           HA       PHE  59  -6.638  -5.004  -3.334
  448    HB2  PHE  59           1HB      PHE  59  -7.247  -2.707  -3.511
  449    HB3  PHE  59           2HB      PHE  59  -5.505  -2.750  -3.709
  450    HD1  PHE  59           HD1      PHE  59  -8.743  -2.248  -5.430
  451    HD2  PHE  59           HD2      PHE  59  -4.464  -2.308  -5.907
  452    HE1  PHE  59           HE1      PHE  59  -8.961  -1.125  -7.611
  453    HE2  PHE  59           HE2      PHE  59  -4.709  -1.186  -8.097
  454    HZ   PHE  59           HZ       PHE  59  -6.950  -0.585  -8.952
  455    H    ILE  60           H        ILE  60  -8.945  -5.011  -3.590
  456    HA   ILE  60           HA       ILE  60  -9.862  -5.802  -6.271
  457    HB   ILE  60           HB       ILE  60 -10.570  -6.667  -3.492
  458   HG12  ILE  60          1HG1      ILE  60 -10.583  -8.884  -4.535
  459   HG13  ILE  60          2HG1      ILE  60 -10.465  -8.162  -6.139
  460   HG21  ILE  60          1HG2      ILE  60 -12.768  -5.975  -4.168
  461   HG22  ILE  60          2HG2      ILE  60 -12.711  -7.713  -4.450
  462   HG23  ILE  60          3HG2      ILE  60 -12.533  -6.596  -5.806
  463   HD11  ILE  60          3HD1      ILE  60  -8.296  -9.075  -4.912
  464   HD12  ILE  60          1HD1      ILE  60  -8.335  -7.505  -4.111
  465   HD13  ILE  60          2HD1      ILE  60  -8.225  -7.596  -5.866
  466    H    ARG  61           H        ARG  61 -11.351  -4.778  -7.295
  467    HA   ARG  61           HA       ARG  61 -13.062  -2.816  -5.924
  468    HB2  ARG  61           1HB      ARG  61 -11.180  -1.556  -6.818
  469    HB3  ARG  61           2HB      ARG  61 -11.414  -2.265  -8.403
  470    HG2  ARG  61           1HG      ARG  61 -13.600  -1.213  -8.606
  471    HG3  ARG  61           2HG      ARG  61 -13.518  -0.640  -6.942
  472    HD2  ARG  61           1HD      ARG  61 -11.497   0.703  -7.566
  473    HD3  ARG  61           2HD      ARG  61 -11.738   0.201  -9.239
  474    HE   ARG  61           HE       ARG  61 -13.584   1.624  -9.381
  475   HH11  ARG  61          1HH2      ARG  61 -12.471   1.306  -6.115
  476   HH12  ARG  61          2HH2      ARG  61 -13.491   2.563  -5.499
  477   HH21  ARG  61          1HH1      ARG  61 -14.939   3.255  -8.578
  478   HH22  ARG  61          2HH1      ARG  61 -14.890   3.667  -6.895
  479    H    ASP  62           H        ASP  62 -15.072  -3.218  -6.379
  480    HA   ASP  62           HA       ASP  62 -16.972  -4.134  -7.357
  481    HB2  ASP  62           1HB      ASP  62 -15.518  -3.038  -9.777
  482    HB3  ASP  62           2HB      ASP  62 -17.190  -3.590  -9.804
  483    H    ARG  63           H        ARG  63 -15.054  -6.137  -6.811
  484    HA   ARG  63           HA       ARG  63 -14.717  -8.299  -7.235
  485    HB2  ARG  63           1HB      ARG  63 -17.151  -8.042  -8.198
  486    HB3  ARG  63           2HB      ARG  63 -16.362  -8.206  -9.763
  487    HG2  ARG  63           1HG      ARG  63 -15.280 -10.337  -8.876
  488    HG3  ARG  63           2HG      ARG  63 -16.321 -10.189  -7.461
  489    HD2  ARG  63           1HD      ARG  63 -17.280 -10.359 -10.326
  490    HD3  ARG  63           2HD      ARG  63 -17.303 -11.685  -9.165
  491    HE   ARG  63           HE       ARG  63 -18.665  -9.636  -7.926
  492   HH11  ARG  63          1HH2      ARG  63 -18.902 -11.369 -10.918
  493   HH12  ARG  63          2HH2      ARG  63 -20.623 -11.204 -11.033
  494   HH21  ARG  63          1HH1      ARG  63 -20.911  -9.412  -8.073
  495   HH22  ARG  63          2HH1      ARG  63 -21.761 -10.093  -9.421
  496    H    LYS  64           H        LYS  64 -13.561  -5.852  -9.024
  497    HA   LYS  64           HA       LYS  64 -12.059  -7.558 -10.931
  498    HB2  LYS  64           1HB      LYS  64 -12.446  -4.562 -10.863
  499    HB3  LYS  64           2HB      LYS  64 -11.574  -5.454 -12.093
  500    HG2  LYS  64           1HG      LYS  64 -13.530  -6.380 -13.022
  501    HG3  LYS  64           2HG      LYS  64 -14.454  -6.191 -11.535
  502    HD2  LYS  64           1HD      LYS  64 -15.125  -4.587 -13.351
  503    HD3  LYS  64           2HD      LYS  64 -14.620  -3.796 -11.862
  504    HE2  LYS  64           1HE      LYS  64 -12.495  -3.205 -12.779
  505    HE3  LYS  64           2HE      LYS  64 -12.714  -4.280 -14.165
  506    HZ1  LYS  64           3HZ      LYS  64 -14.069  -1.719 -13.586
  507    HZ2  LYS  64           1HZ      LYS  64 -14.751  -2.845 -14.655
  508    HZ3  LYS  64           2HZ      LYS  64 -13.223  -2.178 -14.986
  509    H    GLN  65           H        GLN  65 -10.255  -8.263  -9.888
  510    HA   GLN  65           HA       GLN  65  -8.817  -6.654  -8.023
  511    HB2  GLN  65           1HB      GLN  65  -7.262  -8.553  -7.972
  512    HB3  GLN  65           2HB      GLN  65  -8.932  -9.084  -7.782
  513    HG2  GLN  65           1HG      GLN  65  -9.003  -9.580 -10.234
  514    HG3  GLN  65           2HG      GLN  65  -7.291  -9.177 -10.330
  515   HE21  GLN  65          2HE2      GLN  65  -9.557 -11.666  -9.435
  516   HE22  GLN  65          1HE2      GLN  65  -8.405 -12.798  -8.911
  517    H    HIS  66           H        HIS  66  -6.994  -5.522  -8.278
  518    HA   HIS  66           HA       HIS  66  -5.498  -5.617 -10.798
  519    HB2  HIS  66           1HB      HIS  66  -6.795  -3.090  -9.752
  520    HB3  HIS  66           2HB      HIS  66  -5.594  -3.145 -11.038
  521    HD1  HIS  66           HD1      HIS  66  -6.312  -4.468 -13.256
  522    HD2  HIS  66           HD2      HIS  66  -9.375  -3.692 -10.549
  523    HE1  HIS  66           HE1      HIS  66  -8.480  -4.817 -14.518
  524    HE2  HIS  66           HE2      HIS  66 -10.363  -4.338 -12.885
  525    H    GLU  67           H        GLU  67  -3.421  -4.968 -10.611
  526    HA   GLU  67           HA       GLU  67  -2.299  -4.722  -7.953
  527    HB2  GLU  67           1HB      GLU  67  -1.048  -5.105 -10.675
  528    HB3  GLU  67           2HB      GLU  67  -0.112  -4.933  -9.191
  529    HG2  GLU  67           1HG      GLU  67  -1.177  -6.902  -8.241
  530    HG3  GLU  67           2HG      GLU  67  -2.218  -7.059  -9.655
  531    H    ALA  68           H        ALA  68  -1.483  -2.917  -7.122
  532    HA   ALA  68           HA       ALA  68  -1.417  -0.461  -8.757
  533    HB1  ALA  68           3HB      ALA  68  -1.485   0.611  -6.357
  534    HB2  ALA  68           1HB      ALA  68  -2.029  -0.993  -5.856
  535    HB3  ALA  68           2HB      ALA  68  -2.963  -0.069  -7.023
  536    H    GLU  69           H        GLU  69   0.465   0.282  -9.247
  537    HA   GLU  69           HA       GLU  69   2.924  -0.657  -8.028
  538    HB2  GLU  69           1HB      GLU  69   2.399   1.467 -10.131
  539    HB3  GLU  69           2HB      GLU  69   4.008   0.970  -9.606
  540    HG2  GLU  69           1HG      GLU  69   3.520  -1.347 -10.296
  541    HG3  GLU  69           2HG      GLU  69   1.914  -0.850 -10.822
  542    H    LEU  70           H        LEU  70   3.177   0.019  -6.012
  543    HA   LEU  70           HA       LEU  70   2.961   2.918  -5.384
  544    HB2  LEU  70           1HB      LEU  70   1.375   1.492  -4.184
  545    HB3  LEU  70           2HB      LEU  70   2.709   0.558  -3.526
  546    HG   LEU  70           HG       LEU  70   2.959   3.512  -3.079
  547   HD11  LEU  70          1HD1      LEU  70   0.581   3.414  -2.765
  548   HD12  LEU  70          2HD1      LEU  70   1.321   3.467  -1.165
  549   HD13  LEU  70          3HD1      LEU  70   0.705   1.942  -1.811
  550   HD21  LEU  70          3HD2      LEU  70   3.625   2.771  -0.820
  551   HD22  LEU  70          1HD2      LEU  70   4.489   1.848  -2.045
  552   HD23  LEU  70          2HD2      LEU  70   3.131   1.122  -1.207
  553    H    VAL  71           H        VAL  71   4.500   3.906  -4.143
  554    HA   VAL  71           HA       VAL  71   7.052   2.469  -3.694
  555    HB   VAL  71           HB       VAL  71   8.235   4.584  -4.329
  556   HG11  VAL  71          1HG1      VAL  71   6.486   3.250  -6.415
  557   HG12  VAL  71          2HG1      VAL  71   8.108   2.762  -5.929
  558   HG13  VAL  71          3HG1      VAL  71   7.868   4.280  -6.794
  559   HG21  VAL  71          3HG2      VAL  71   5.490   5.346  -5.340
  560   HG22  VAL  71          1HG2      VAL  71   6.971   6.237  -5.664
  561   HG23  VAL  71          2HG2      VAL  71   6.347   6.135  -4.018
  562    H    LEU  72           H        LEU  72   8.012   2.767  -1.793
  563    HA   LEU  72           HA       LEU  72   6.601   3.831   0.371
  564    HB2  LEU  72           1HB      LEU  72   9.458   2.971  -0.056
  565    HB3  LEU  72           2HB      LEU  72   8.954   3.633   1.494
  566    HG   LEU  72           HG       LEU  72   8.855   1.145   1.410
  567   HD11  LEU  72          1HD1      LEU  72   5.955   1.868   1.643
  568   HD12  LEU  72          2HD1      LEU  72   7.057   2.792   2.647
  569   HD13  LEU  72          3HD1      LEU  72   7.010   1.042   2.787
  570   HD21  LEU  72          3HD2      LEU  72   7.329  -0.029  -0.010
  571   HD22  LEU  72          1HD2      LEU  72   8.163   1.108  -1.066
  572   HD23  LEU  72          2HD2      LEU  72   6.526   1.456  -0.509
  573    H    LYS  73           H        LYS  73   6.443   5.792   1.224
  574    HA   LYS  73           HA       LYS  73   8.433   7.864   0.576
  575    HB2  LYS  73           1HB      LYS  73   5.472   8.031   0.021
  576    HB3  LYS  73           2HB      LYS  73   6.525   9.443   0.112
  577    HG2  LYS  73           1HG      LYS  73   7.955   8.476  -1.680
  578    HG3  LYS  73           2HG      LYS  73   6.866   7.100  -1.789
  579    HD2  LYS  73           1HD      LYS  73   6.278   8.647  -3.535
  580    HD3  LYS  73           2HD      LYS  73   5.000   8.663  -2.325
  581    HE2  LYS  73           1HE      LYS  73   5.601  10.809  -1.537
  582    HE3  LYS  73           2HE      LYS  73   7.251  10.684  -2.153
  583    HZ1  LYS  73           3HZ      LYS  73   5.522  12.109  -3.391
  584    HZ2  LYS  73           1HZ      LYS  73   4.981  10.626  -4.012
  585    HZ3  LYS  73           2HZ      LYS  73   6.583  11.124  -4.280
  586    HA   PRO  74           HA       PRO  74   7.590   7.783   5.144
  587    HB2  PRO  74           1HB      PRO  74   9.833   9.776   4.855
  588    HB3  PRO  74           2HB      PRO  74   9.615   8.509   6.082
  589    HG2  PRO  74           1HG      PRO  74  11.319   8.155   4.074
  590    HG3  PRO  74           2HG      PRO  74  10.294   6.816   4.632
  591    HD2  PRO  74           1HD      PRO  74  10.019   8.488   2.155
  592    HD3  PRO  74           2HD      PRO  74   9.608   6.778   2.408
  593    H    PHE  75           H        PHE  75   7.407   9.748   6.708
  594    HA   PHE  75           HA       PHE  75   5.760  11.813   5.373
  595    HB2  PHE  75           1HB      PHE  75   5.681  10.870   8.250
  596    HB3  PHE  75           2HB      PHE  75   4.596  12.037   7.512
  597    HD1  PHE  75           HD2      PHE  75   3.162  11.329   5.525
  598    HD2  PHE  75           HD1      PHE  75   5.268   8.528   8.015
  599    HE1  PHE  75           HE2      PHE  75   1.707   9.497   4.700
  600    HE2  PHE  75           HE1      PHE  75   3.814   6.706   7.193
  601    HZ   PHE  75           HZ       PHE  75   2.033   7.184   5.536
  602    HA   PRO  76           HA       PRO  76   8.708  14.909   6.633
  603    HB2  PRO  76           1HB      PRO  76   7.019  17.088   7.070
  604    HB3  PRO  76           2HB      PRO  76   7.533  16.536   5.464
  605    HG2  PRO  76           1HG      PRO  76   4.973  15.987   6.922
  606    HG3  PRO  76           2HG      PRO  76   5.231  16.353   5.203
  607    HD2  PRO  76           1HD      PRO  76   4.793  13.826   6.062
  608    HD3  PRO  76           2HD      PRO  76   5.874  14.156   4.695
  609    H    HIS  77           H        HIS  77   5.898  14.314   8.661
  610    HA   HIS  77           HA       HIS  77   6.932  15.632  10.998
  611    HB2  HIS  77           1HB      HIS  77   4.757  13.543  10.729
  612    HB3  HIS  77           2HB      HIS  77   5.079  14.516  12.163
  613    HD1  HIS  77           HD1      HIS  77   5.436  16.131   8.824
  614    HD2  HIS  77           HD2      HIS  77   2.544  15.861  11.814
  615    HE1  HIS  77           HE1      HIS  77   3.696  17.892   8.297
  616    HE2  HIS  77           HE2      HIS  77   1.926  17.742  10.109
  617    H    HIS  78           H        HIS  78   7.033  12.404   9.651
  618    HA   HIS  78           HA       HIS  78   8.958  11.555  11.745
  619    HB2  HIS  78           1HB      HIS  78   6.796   9.812  10.565
  620    HB3  HIS  78           2HB      HIS  78   7.959   9.371  11.818
  621    HD1  HIS  78           HD1      HIS  78   7.797  10.834  14.105
  622    HD2  HIS  78           HD2      HIS  78   4.507  11.065  11.553
  623    HE1  HIS  78           HE1      HIS  78   5.885  11.764  15.483
  624    HE2  HIS  78           HE2      HIS  78   3.874  11.911  13.941
  625    HA   PRO  79           HA       PRO  79  10.528  11.059   7.332
  626    HB2  PRO  79           1HB      PRO  79  13.131  11.903   7.935
  627    HB3  PRO  79           2HB      PRO  79  11.843  12.975   7.349
  628    HG2  PRO  79           1HG      PRO  79  12.794  12.511  10.151
  629    HG3  PRO  79           2HG      PRO  79  12.310  14.030   9.365
  630    HD2  PRO  79           1HD      PRO  79  10.660  12.742  11.067
  631    HD3  PRO  79           2HD      PRO  79  10.019  13.598   9.655
  632    H    ASN  80           H        ASN  80  11.493   9.928  10.488
  633    HA   ASN  80           HA       ASN  80  13.248   7.846   9.403
  634    HB2  ASN  80           1HB      ASN  80  12.458   8.668  12.209
  635    HB3  ASN  80           2HB      ASN  80  13.523   7.312  11.847
  636   HD21  ASN  80          2HD2      ASN  80  14.986   8.490   9.665
  637   HD22  ASN  80          1HD2      ASN  80  15.918   9.765  10.291
  638    H    GLN  81           H        GLN  81  10.142   8.117   9.165
  639    HA   GLN  81           HA       GLN  81   9.576   5.304   9.896
  640    HB2  GLN  81           1HB      GLN  81   8.608   6.943  11.595
  641    HB3  GLN  81           2HB      GLN  81   7.566   7.536  10.303
  642    HG2  GLN  81           1HG      GLN  81   6.297   5.866  11.476
  643    HG3  GLN  81           2HG      GLN  81   6.807   5.119   9.965
  644   HE21  GLN  81          2HE2      GLN  81   8.386   5.603  13.182
  645   HE22  GLN  81          1HE2      GLN  81   8.864   3.984  13.349
  646    H    ILE  82           H        ILE  82   8.882   4.224   8.231
  647    HA   ILE  82           HA       ILE  82   8.142   5.569   5.760
  648    HB   ILE  82           HB       ILE  82   7.909   2.652   5.615
  649   HG12  ILE  82          1HG1      ILE  82   9.375   2.627   7.590
  650   HG13  ILE  82          2HG1      ILE  82  10.237   2.060   6.171
  651   HG21  ILE  82          1HG2      ILE  82   9.527   2.879   3.850
  652   HG22  ILE  82          2HG2      ILE  82  10.053   4.452   4.445
  653   HG23  ILE  82          3HG2      ILE  82   8.451   4.272   3.757
  654   HD11  ILE  82          3HD1      ILE  82  11.831   3.622   6.532
  655   HD12  ILE  82          1HD1      ILE  82  10.939   4.223   7.929
  656   HD13  ILE  82          2HD1      ILE  82  10.641   4.908   6.333
  657    H    GLY  83           H        GLY  83   6.348   4.073   4.528
  658    HA2  GLY  83           1HA      GLY  83   4.165   2.992   5.734
  659    HA3  GLY  83           2HA      GLY  83   3.876   4.722   5.884
  660    H    LEU  84           H        LEU  84   2.033   3.419   4.472
  661    HA   LEU  84           HA       LEU  84   2.687   3.195   1.666
  662    HB2  LEU  84           1HB      LEU  84   0.146   3.070   3.294
  663    HB3  LEU  84           2HB      LEU  84   0.103   2.992   1.536
  664    HG   LEU  84           HG       LEU  84   0.116   0.739   2.599
  665   HD11  LEU  84          1HD1      LEU  84   1.422   1.442   0.349
  666   HD12  LEU  84          2HD1      LEU  84   1.404  -0.206   0.946
  667   HD13  LEU  84          3HD1      LEU  84   2.797   0.829   1.261
  668   HD21  LEU  84          3HD2      LEU  84   1.597   1.542   4.557
  669   HD22  LEU  84          1HD2      LEU  84   2.962   1.302   3.464
  670   HD23  LEU  84          2HD2      LEU  84   1.941  -0.061   3.909
  671    H    GLY  85           H        GLY  85  -0.186   4.984   2.685
  672    HA2  GLY  85           1HA      GLY  85   0.779   7.585   2.191
  673    HA3  GLY  85           2HA      GLY  85   0.094   6.915   0.714
  674    H    VAL  86           H        VAL  86  -1.640   5.289   2.819
  675    HA   VAL  86           HA       VAL  86  -3.795   7.335   3.049
  676    HB   VAL  86           HB       VAL  86  -5.345   5.422   3.065
  677   HG11  VAL  86          1HG1      VAL  86  -3.379   5.518   0.754
  678   HG12  VAL  86          2HG1      VAL  86  -4.804   6.535   0.951
  679   HG13  VAL  86          3HG1      VAL  86  -4.986   4.806   0.671
  680   HG21  VAL  86          3HG2      VAL  86  -4.461   3.189   2.424
  681   HG22  VAL  86          1HG2      VAL  86  -3.837   3.709   3.989
  682   HG23  VAL  86          2HG2      VAL  86  -2.818   3.815   2.551
  683    H    THR  87           H        THR  87  -5.374   6.811   4.927
  684    HA   THR  87           HA       THR  87  -3.790   6.747   7.349
  685    HB   THR  87           HB       THR  87  -6.777   7.041   7.001
  686    HG1  THR  87           HG1      THR  87  -4.753   8.659   6.302
  687   HG21  THR  87          3HG2      THR  87  -6.563   8.253   9.171
  688   HG22  THR  87          1HG2      THR  87  -4.862   7.791   9.226
  689   HG23  THR  87          2HG2      THR  87  -6.115   6.552   9.291
  Start of MODEL   10
    1    H1   MET   1           1H       MET   1 -18.127 -10.217   0.698
    2    H2   MET   1           2H       MET   1 -17.457 -11.505  -0.184
    3    H3   MET   1           3H       MET   1 -17.589 -11.607   1.507
    4    HA   MET   1           HA       MET   1 -20.084 -11.356   1.154
    5    HB2  MET   1           1HB      MET   1 -19.117 -12.155  -1.613
    6    HB3  MET   1           2HB      MET   1 -20.794 -12.240  -1.081
    7    HG2  MET   1           1HG      MET   1 -19.145  -9.695  -1.050
    8    HG3  MET   1           2HG      MET   1 -20.226 -10.143  -2.367
    9    HE1  MET   1           3HE      MET   1 -22.830 -11.132  -1.544
   10    HE2  MET   1           1HE      MET   1 -22.562  -9.674  -2.507
   11    HE3  MET   1           2HE      MET   1 -23.709  -9.655  -1.171
   12    H    ASN   2           H        ASN   2 -20.061 -12.932   2.694
   13    HA   ASN   2           HA       ASN   2 -20.028 -15.028   3.624
   14    HB2  ASN   2           1HB      ASN   2 -20.310 -15.933   0.747
   15    HB3  ASN   2           2HB      ASN   2 -20.709 -16.870   2.184
   16   HD21  ASN   2          2HD2      ASN   2 -22.128 -14.994  -0.184
   17   HD22  ASN   2          1HD2      ASN   2 -23.504 -14.477   0.665
   18    H    GLU   3           H        GLU   3 -18.245 -15.874   4.507
   19    HA   GLU   3           HA       GLU   3 -16.092 -16.579   4.799
   20    HB2  GLU   3           1HB      GLU   3 -17.215 -18.507   3.581
   21    HB3  GLU   3           2HB      GLU   3 -16.477 -17.898   2.102
   22    HG2  GLU   3           1HG      GLU   3 -14.989 -19.572   2.951
   23    HG3  GLU   3           2HG      GLU   3 -14.236 -18.022   3.301
   24    H    ALA   4           H        ALA   4 -15.713 -14.175   4.311
   25    HA   ALA   4           HA       ALA   4 -13.332 -13.964   2.725
   26    HB1  ALA   4           3HB      ALA   4 -15.022 -13.862   0.918
   27    HB2  ALA   4           1HB      ALA   4 -14.115 -12.358   1.065
   28    HB3  ALA   4           2HB      ALA   4 -15.755 -12.464   1.704
   29    H    LYS   5           H        LYS   5 -12.485 -11.695   2.696
   30    HA   LYS   5           HA       LYS   5 -13.533 -10.013   4.912
   31    HB2  LYS   5           1HB      LYS   5 -11.647 -11.493   5.705
   32    HB3  LYS   5           2HB      LYS   5 -10.586 -10.655   4.578
   33    HG2  LYS   5           1HG      LYS   5 -11.042  -8.513   5.704
   34    HG3  LYS   5           2HG      LYS   5 -12.207  -9.297   6.764
   35    HD2  LYS   5           1HD      LYS   5 -10.407 -10.721   7.673
   36    HD3  LYS   5           2HD      LYS   5  -9.245  -9.905   6.629
   37    HE2  LYS   5           1HE      LYS   5 -10.965  -8.466   8.673
   38    HE3  LYS   5           2HE      LYS   5  -9.315  -9.002   8.983
   39    HZ1  LYS   5           3HZ      LYS   5  -8.697  -7.064   8.130
   40    HZ2  LYS   5           1HZ      LYS   5 -10.240  -6.734   7.512
   41    HZ3  LYS   5           2HZ      LYS   5  -9.149  -7.672   6.610
   42    H    GLY   6           H        GLY   6 -10.497  -9.029   3.862
   43    HA2  GLY   6           1HA      GLY   6  -9.853  -7.738   1.960
   44    HA3  GLY   6           2HA      GLY   6 -11.517  -7.208   1.823
   45    H    VAL   7           H        VAL   7  -8.477  -6.376   2.943
   46    HA   VAL   7           HA       VAL   7  -9.001  -4.861   5.255
   47    HB   VAL   7           HB       VAL   7  -6.980  -4.268   3.084
   48   HG11  VAL   7          1HG1      VAL   7  -5.701  -3.316   5.017
   49   HG12  VAL   7          2HG1      VAL   7  -7.127  -3.565   6.026
   50   HG13  VAL   7          3HG1      VAL   7  -7.191  -2.440   4.671
   51   HG21  VAL   7          3HG2      VAL   7  -5.461  -5.654   4.505
   52   HG22  VAL   7          1HG2      VAL   7  -6.784  -6.590   3.811
   53   HG23  VAL   7          2HG2      VAL   7  -6.848  -6.093   5.502
   54    H    TYR   8           H        TYR   8 -10.858  -3.656   5.118
   55    HA   TYR   8           HA       TYR   8 -11.696  -2.083   2.962
   56    HB2  TYR   8           1HB      TYR   8 -12.318  -1.312   5.816
   57    HB3  TYR   8           2HB      TYR   8 -13.372  -1.268   4.404
   58    HD1  TYR   8           HD2      TYR   8 -13.328  -3.816   3.177
   59    HD2  TYR   8           HD1      TYR   8 -13.006  -2.948   7.380
   60    HE1  TYR   8           HE2      TYR   8 -14.157  -6.087   3.717
   61    HE2  TYR   8           HE1      TYR   8 -13.842  -5.212   7.905
   62    HH   TYR   8           HH       TYR   8 -15.337  -6.948   6.653
   63    H    VAL   9           H        VAL   9 -10.656  -0.430   2.061
   64    HA   VAL   9           HA       VAL   9  -8.735   1.183   3.514
   65    HB   VAL   9           HB       VAL   9  -9.834   1.314   0.687
   66   HG11  VAL   9          1HG1      VAL   9  -7.809   2.841   0.323
   67   HG12  VAL   9          2HG1      VAL   9  -7.730   2.991   2.081
   68   HG13  VAL   9          3HG1      VAL   9  -9.154   3.555   1.212
   69   HG21  VAL   9          3HG2      VAL   9  -7.658   0.397   0.076
   70   HG22  VAL   9          1HG2      VAL   9  -8.389  -0.643   1.301
   71   HG23  VAL   9          2HG2      VAL   9  -7.116   0.489   1.752
   72    H    MET  10           H        MET  10  -9.124   3.152   4.512
   73    HA   MET  10           HA       MET  10 -11.824   4.109   4.621
   74    HB2  MET  10           1HB      MET  10 -10.612   4.154   6.662
   75    HB3  MET  10           2HB      MET  10  -9.196   4.876   5.901
   76    HG2  MET  10           1HG      MET  10 -10.203   7.000   5.747
   77    HG3  MET  10           2HG      MET  10 -11.832   6.347   5.907
   78    HE1  MET  10           3HE      MET  10 -12.031   8.430   7.302
   79    HE2  MET  10           1HE      MET  10 -10.369   8.880   7.708
   80    HE3  MET  10           2HE      MET  10 -11.544   8.590   8.988
   81    H    SER  11           H        SER  11  -8.809   5.963   4.088
   82    HA   SER  11           HA       SER  11 -10.190   7.472   1.913
   83    HB2  SER  11           1HB      SER  11  -8.522   8.598   4.176
   84    HB3  SER  11           2HB      SER  11  -9.118   9.521   2.801
   85    HG   SER  11           HG       SER  11 -11.105   8.080   3.915
   86    H    VAL  12           H        VAL  12  -8.763   8.649   0.532
   87    HA   VAL  12           HA       VAL  12  -6.056   7.430   0.222
   88    HB   VAL  12           HB       VAL  12  -8.054   8.118  -1.951
   89   HG11  VAL  12          1HG1      VAL  12  -5.145   7.276  -2.078
   90   HG12  VAL  12          2HG1      VAL  12  -5.873   8.725  -2.770
   91   HG13  VAL  12          3HG1      VAL  12  -6.240   7.145  -3.456
   92   HG21  VAL  12          3HG2      VAL  12  -6.859   5.507  -0.969
   93   HG22  VAL  12          1HG2      VAL  12  -7.760   5.662  -2.472
   94   HG23  VAL  12          2HG2      VAL  12  -8.559   5.976  -0.935
   95    H    LEU  13           H        LEU  13  -4.464   8.850   0.069
   96    HA   LEU  13           HA       LEU  13  -5.108  11.668   0.152
   97    HB2  LEU  13           1HB      LEU  13  -2.659  10.082   0.726
   98    HB3  LEU  13           2HB      LEU  13  -2.529  11.813   0.473
   99    HG   LEU  13           HG       LEU  13  -2.842  11.189   2.887
  100   HD11  LEU  13          1HD1      LEU  13  -5.388  12.653   2.278
  101   HD12  LEU  13          2HD1      LEU  13  -3.927  13.361   1.594
  102   HD13  LEU  13          3HD1      LEU  13  -4.049  13.101   3.330
  103   HD21  LEU  13          3HD2      LEU  13  -4.405   9.219   2.253
  104   HD22  LEU  13          1HD2      LEU  13  -5.681  10.432   2.121
  105   HD23  LEU  13          2HD2      LEU  13  -4.865  10.175   3.660
  106    HA   PRO  14           HA       PRO  14  -4.513  12.031  -4.308
  107    HB2  PRO  14           1HB      PRO  14  -4.421  14.940  -3.535
  108    HB3  PRO  14           2HB      PRO  14  -5.363  14.151  -4.818
  109    HG2  PRO  14           1HG      PRO  14  -6.533  14.928  -2.555
  110    HG3  PRO  14           2HG      PRO  14  -6.989  13.401  -3.338
  111    HD2  PRO  14           1HD      PRO  14  -5.292  13.829  -0.896
  112    HD3  PRO  14           2HD      PRO  14  -6.456  12.540  -1.278
  113    H    ASN  15           H        ASN  15  -2.494  13.224  -1.740
  114    HA   ASN  15           HA       ASN  15  -0.283  13.908  -3.585
  115    HB2  ASN  15           1HB      ASN  15  -0.881  15.491  -1.755
  116    HB3  ASN  15           2HB      ASN  15  -0.443  14.251  -0.582
  117   HD21  ASN  15          2HD2      ASN  15   1.073  15.527  -3.611
  118   HD22  ASN  15          1HD2      ASN  15   2.611  15.728  -2.921
  119    H    MET  16           H        MET  16  -1.285  11.108  -2.861
  120    HA   MET  16           HA       MET  16   1.316  10.088  -1.923
  121    HB2  MET  16           1HB      MET  16  -1.462   9.294  -1.171
  122    HB3  MET  16           2HB      MET  16  -0.258   8.022  -1.228
  123    HG2  MET  16           1HG      MET  16   0.162  10.605   0.302
  124    HG3  MET  16           2HG      MET  16  -0.517   9.151   1.034
  125    HE1  MET  16           3HE      MET  16   1.113   8.917   2.778
  126    HE2  MET  16           1HE      MET  16   2.040  10.357   2.334
  127    HE3  MET  16           2HE      MET  16   2.865   8.827   2.622
  128    HA   PRO  17           HA       PRO  17   1.825   7.779  -5.606
  129    HB2  PRO  17           1HB      PRO  17   2.346   5.285  -4.036
  130    HB3  PRO  17           2HB      PRO  17   3.411   6.132  -5.172
  131    HG2  PRO  17           1HG      PRO  17   3.827   6.214  -2.524
  132    HG3  PRO  17           2HG      PRO  17   4.171   7.611  -3.562
  133    HD2  PRO  17           1HD      PRO  17   1.847   7.146  -1.715
  134    HD3  PRO  17           2HD      PRO  17   2.740   8.627  -2.074
  135    H    ALA  18           H        ALA  18  -0.446   6.543  -3.224
  136    HA   ALA  18           HA       ALA  18  -1.551   4.474  -4.904
  137    HB1  ALA  18           3HB      ALA  18  -2.435   5.760  -2.313
  138    HB2  ALA  18           1HB      ALA  18  -1.665   4.190  -2.525
  139    HB3  ALA  18           2HB      ALA  18  -3.315   4.444  -3.088
  140    H    ALA  19           H        ALA  19  -1.908   7.832  -4.734
  141    HA   ALA  19           HA       ALA  19  -4.658   8.102  -5.456
  142    HB1  ALA  19           3HB      ALA  19  -2.380  10.012  -6.022
  143    HB2  ALA  19           1HB      ALA  19  -3.339   9.974  -4.544
  144    HB3  ALA  19           2HB      ALA  19  -4.101  10.397  -6.078
  145    H    GLY  20           H        GLY  20  -5.665   7.931  -7.359
  146    HA2  GLY  20           1HA      GLY  20  -5.963   7.941  -9.686
  147    HA3  GLY  20           2HA      GLY  20  -4.219   8.064  -9.901
  148    H    ARG  21           H        ARG  21  -4.022   5.773  -7.853
  149    HA   ARG  21           HA       ARG  21  -4.402   3.567  -9.808
  150    HB2  ARG  21           1HB      ARG  21  -2.564   3.870  -7.419
  151    HB3  ARG  21           2HB      ARG  21  -2.749   2.372  -8.331
  152    HG2  ARG  21           1HG      ARG  21  -2.032   3.519 -10.387
  153    HG3  ARG  21           2HG      ARG  21  -1.864   5.032  -9.493
  154    HD2  ARG  21           1HD      ARG  21  -0.175   3.983  -8.032
  155    HD3  ARG  21           2HD      ARG  21  -0.349   2.473  -8.917
  156    HE   ARG  21           HE       ARG  21   0.874   3.388 -10.688
  157   HH11  ARG  21          1HH2      ARG  21   0.074   5.804  -8.330
  158   HH12  ARG  21          2HH2      ARG  21   1.157   6.988  -8.985
  159   HH21  ARG  21          1HH1      ARG  21   2.290   4.934 -11.535
  160   HH22  ARG  21          2HH1      ARG  21   2.407   6.497 -10.795
  161    H    LEU  22           H        LEU  22  -4.895   4.490  -6.422
  162    HA   LEU  22           HA       LEU  22  -6.878   2.301  -6.157
  163    HB2  LEU  22           1HB      LEU  22  -4.556   2.996  -4.509
  164    HB3  LEU  22           2HB      LEU  22  -6.021   3.017  -3.536
  165    HG   LEU  22           HG       LEU  22  -5.342   0.685  -5.364
  166   HD11  LEU  22          1HD1      LEU  22  -4.592   1.124  -2.464
  167   HD12  LEU  22          2HD1      LEU  22  -3.490   0.886  -3.819
  168   HD13  LEU  22          3HD1      LEU  22  -4.519  -0.439  -3.277
  169   HD21  LEU  22          3HD2      LEU  22  -6.930  -0.502  -3.933
  170   HD22  LEU  22          1HD2      LEU  22  -7.701   0.974  -4.503
  171   HD23  LEU  22          2HD2      LEU  22  -7.062   0.895  -2.868
  172    H    GLU  23           H        GLU  23  -8.660   2.696  -4.771
  173    HA   GLU  23           HA       GLU  23  -9.273   5.552  -4.263
  174    HB2  GLU  23           1HB      GLU  23 -10.941   3.596  -5.850
  175    HB3  GLU  23           2HB      GLU  23 -11.574   5.103  -5.195
  176    HG2  GLU  23           1HG      GLU  23  -9.886   6.376  -6.471
  177    HG3  GLU  23           2HG      GLU  23  -9.211   4.875  -7.093
  178    H    ALA  24           H        ALA  24 -10.935   5.899  -2.763
  179    HA   ALA  24           HA       ALA  24 -10.883   4.246  -0.496
  180    HB1  ALA  24           3HB      ALA  24 -11.447   6.653  -0.411
  181    HB2  ALA  24           1HB      ALA  24 -12.702   5.675   0.350
  182    HB3  ALA  24           2HB      ALA  24 -12.952   6.324  -1.270
  183    H    GLY  25           H        GLY  25 -12.106   2.539   0.128
  184    HA2  GLY  25           1HA      GLY  25 -14.193   1.328   0.210
  185    HA3  GLY  25           2HA      GLY  25 -14.509   1.801  -1.458
  186    H    ASP  26           H        ASP  26 -11.607   1.302  -2.132
  187    HA   ASP  26           HA       ASP  26 -11.904  -1.426  -2.976
  188    HB2  ASP  26           1HB      ASP  26  -9.376   0.233  -2.929
  189    HB3  ASP  26           2HB      ASP  26  -9.707  -1.162  -3.935
  190    H    ARG  27           H        ARG  27 -10.852  -3.280  -2.252
  191    HA   ARG  27           HA       ARG  27  -9.659  -3.126   0.460
  192    HB2  ARG  27           1HB      ARG  27 -10.339  -5.509   0.648
  193    HB3  ARG  27           2HB      ARG  27 -11.699  -4.406   0.464
  194    HG2  ARG  27           1HG      ARG  27 -12.054  -5.025  -1.809
  195    HG3  ARG  27           2HG      ARG  27 -10.477  -5.798  -1.941
  196    HD2  ARG  27           1HD      ARG  27 -11.147  -7.597  -0.488
  197    HD3  ARG  27           2HD      ARG  27 -12.663  -6.795  -0.089
  198    HE   ARG  27           HE       ARG  27 -12.644  -7.083  -2.850
  199   HH11  ARG  27          1HH2      ARG  27 -12.465  -9.113  -0.045
  200   HH12  ARG  27          2HH2      ARG  27 -13.244 -10.459  -0.808
  201   HH21  ARG  27          1HH1      ARG  27 -13.664  -8.841  -3.843
  202   HH22  ARG  27          2HH1      ARG  27 -13.921 -10.305  -2.954
  203    H    ILE  28           H        ILE  28  -7.898  -4.451   0.940
  204    HA   ILE  28           HA       ILE  28  -6.136  -4.973  -1.381
  205    HB   ILE  28           HB       ILE  28  -5.360  -5.122   1.547
  206   HG12  ILE  28          1HG1      ILE  28  -6.313  -2.915   1.220
  207   HG13  ILE  28          2HG1      ILE  28  -4.561  -2.758   1.236
  208   HG21  ILE  28          1HG2      ILE  28  -3.788  -6.100  -0.074
  209   HG22  ILE  28          2HG2      ILE  28  -3.120  -4.623   0.622
  210   HG23  ILE  28          3HG2      ILE  28  -3.801  -4.600  -1.002
  211   HD11  ILE  28          3HD1      ILE  28  -5.257  -1.428  -0.603
  212   HD12  ILE  28          1HD1      ILE  28  -6.437  -2.623  -1.131
  213   HD13  ILE  28          2HD1      ILE  28  -4.715  -2.926  -1.356
  214    H    ALA  29           H        ALA  29  -6.008  -6.926  -2.172
  215    HA   ALA  29           HA       ALA  29  -6.926  -9.242  -0.590
  216    HB1  ALA  29           3HB      ALA  29  -7.855  -9.073  -2.799
  217    HB2  ALA  29           1HB      ALA  29  -6.735 -10.434  -2.788
  218    HB3  ALA  29           2HB      ALA  29  -6.255  -8.900  -3.520
  219    H    ALA  30           H        ALA  30  -4.031  -7.719  -1.571
  220    HA   ALA  30           HA       ALA  30  -2.328  -9.372  -0.102
  221    HB1  ALA  30           3HB      ALA  30  -2.725 -10.268  -2.947
  222    HB2  ALA  30           1HB      ALA  30  -2.604 -11.255  -1.496
  223    HB3  ALA  30           2HB      ALA  30  -1.159 -10.513  -2.171
  224    H    ILE  31           H        ILE  31  -0.027  -9.027  -0.571
  225    HA   ILE  31           HA       ILE  31   0.564  -6.676  -2.257
  226    HB   ILE  31           HB       ILE  31   1.405  -6.983   0.636
  227   HG12  ILE  31          1HG1      ILE  31  -0.212  -4.832  -0.751
  228   HG13  ILE  31          2HG1      ILE  31  -0.919  -6.126   0.208
  229   HG21  ILE  31          1HG2      ILE  31   2.237  -5.026  -1.533
  230   HG22  ILE  31          2HG2      ILE  31   3.280  -6.076  -0.576
  231   HG23  ILE  31          3HG2      ILE  31   2.484  -4.706   0.182
  232   HD11  ILE  31          3HD1      ILE  31  -0.709  -4.167   1.621
  233   HD12  ILE  31          1HD1      ILE  31   0.989  -3.987   1.181
  234   HD13  ILE  31          2HD1      ILE  31   0.473  -5.363   2.144
  235    H    ASP  32           H        ASP  32   2.198  -7.045  -3.512
  236    HA   ASP  32           HA       ASP  32   3.950  -8.127  -4.547
  237    HB2  ASP  32           1HB      ASP  32   5.952  -8.099  -3.315
  238    HB3  ASP  32           2HB      ASP  32   4.965  -6.877  -2.531
  239    H    GLY  33           H        GLY  33   1.727  -9.769  -3.246
  240    HA2  GLY  33           1HA      GLY  33   1.327 -12.062  -3.853
  241    HA3  GLY  33           2HA      GLY  33   3.032 -12.407  -3.605
  242    H    GLN  34           H        GLN  34   2.332 -10.501  -1.084
  243    HA   GLN  34           HA       GLN  34   2.004 -12.764   0.728
  244    HB2  GLN  34           1HB      GLN  34   2.531  -9.877   1.381
  245    HB3  GLN  34           2HB      GLN  34   2.625 -11.252   2.484
  246    HG2  GLN  34           1HG      GLN  34   4.288 -10.995  -0.036
  247    HG3  GLN  34           2HG      GLN  34   4.857 -10.555   1.569
  248   HE21  GLN  34          2HE2      GLN  34   4.751 -12.419   3.245
  249   HE22  GLN  34          1HE2      GLN  34   5.064 -13.988   2.676
  250    HA   PRO  35           HA       PRO  35  -2.455 -11.620   0.865
  251    HB2  PRO  35           1HB      PRO  35  -2.479 -13.860   2.870
  252    HB3  PRO  35           2HB      PRO  35  -3.513 -13.624   1.444
  253    HG2  PRO  35           1HG      PRO  35  -1.575 -15.465   1.452
  254    HG3  PRO  35           2HG      PRO  35  -1.934 -14.514  -0.006
  255    HD2  PRO  35           1HD      PRO  35   0.333 -14.180   1.952
  256    HD3  PRO  35           2HD      PRO  35   0.309 -14.033   0.187
  257    H    ILE  36           H        ILE  36  -3.341 -10.126   2.193
  258    HA   ILE  36           HA       ILE  36  -2.108  -9.614   4.831
  259    HB   ILE  36           HB       ILE  36  -3.954  -7.846   3.224
  260   HG12  ILE  36          1HG1      ILE  36  -1.946  -8.219   1.920
  261   HG13  ILE  36          2HG1      ILE  36  -1.843  -6.621   2.632
  262   HG21  ILE  36          1HG2      ILE  36  -2.093  -7.293   5.556
  263   HG22  ILE  36          2HG2      ILE  36  -3.856  -7.305   5.624
  264   HG23  ILE  36          3HG2      ILE  36  -3.023  -6.077   4.686
  265   HD11  ILE  36          3HD1      ILE  36  -0.517  -7.844   4.560
  266   HD12  ILE  36          1HD1      ILE  36   0.301  -7.507   3.037
  267   HD13  ILE  36          2HD1      ILE  36  -0.319  -9.116   3.356
  268    H    ASN  37           H        ASN  37  -3.045 -10.373   6.478
  269    HA   ASN  37           HA       ASN  37  -5.998 -10.710   6.603
  270    HB2  ASN  37           1HB      ASN  37  -5.580 -12.292   8.436
  271    HB3  ASN  37           2HB      ASN  37  -4.773 -12.782   6.950
  272   HD21  ASN  37          2HD2      ASN  37  -3.453 -14.039   8.711
  273   HD22  ASN  37          1HD2      ASN  37  -2.105 -13.230   9.354
  274    H    THR  38           H        THR  38  -3.321  -9.035   8.043
  275    HA   THR  38           HA       THR  38  -5.192  -7.656   9.895
  276    HB   THR  38           HB       THR  38  -3.460  -7.660  11.641
  277    HG1  THR  38           HG1      THR  38  -1.573  -8.621  11.329
  278   HG21  THR  38          3HG2      THR  38  -3.625 -10.023  12.273
  279   HG22  THR  38          1HG2      THR  38  -4.139 -10.433  10.637
  280   HG23  THR  38          2HG2      THR  38  -5.167  -9.427  11.659
  281    H    SER  39           H        SER  39  -4.550  -5.558  10.507
  282    HA   SER  39           HA       SER  39  -3.276  -4.056   8.439
  283    HB2  SER  39           1HB      SER  39  -3.576  -2.148   9.983
  284    HB3  SER  39           2HB      SER  39  -5.056  -3.087   9.815
  285    HG   SER  39           HG       SER  39  -4.954  -3.281  11.898
  286    H    GLU  40           H        GLU  40  -2.291  -5.400  11.531
  287    HA   GLU  40           HA       GLU  40   0.113  -3.989  11.891
  288    HB2  GLU  40           1HB      GLU  40  -1.053  -5.462  13.588
  289    HB3  GLU  40           2HB      GLU  40  -0.443  -6.857  12.700
  290    HG2  GLU  40           1HG      GLU  40   1.110  -6.439  14.478
  291    HG3  GLU  40           2HG      GLU  40   1.890  -5.899  12.998
  292    H    GLN  41           H        GLN  41  -0.733  -6.742   9.884
  293    HA   GLN  41           HA       GLN  41   1.886  -7.658   9.383
  294    HB2  GLN  41           1HB      GLN  41  -0.482  -8.673   8.766
  295    HB3  GLN  41           2HB      GLN  41  -0.260  -7.797   7.259
  296    HG2  GLN  41           1HG      GLN  41   1.708  -9.807   8.412
  297    HG3  GLN  41           2HG      GLN  41   0.564 -10.134   7.112
  298   HE21  GLN  41          2HE2      GLN  41   3.755  -9.484   7.529
  299   HE22  GLN  41          1HE2      GLN  41   4.075  -8.627   6.098
  300    H    ILE  42           H        ILE  42   0.034  -4.949   8.090
  301    HA   ILE  42           HA       ILE  42   1.713  -4.464   5.842
  302    HB   ILE  42           HB       ILE  42  -0.153  -2.616   7.353
  303   HG12  ILE  42          1HG1      ILE  42  -1.294  -4.644   6.502
  304   HG13  ILE  42          2HG1      ILE  42  -1.793  -3.210   5.609
  305   HG21  ILE  42          1HG2      ILE  42   1.331  -1.310   5.980
  306   HG22  ILE  42          2HG2      ILE  42  -0.213  -1.413   5.135
  307   HG23  ILE  42          3HG2      ILE  42   1.138  -2.426   4.627
  308   HD11  ILE  42          3HD1      ILE  42   0.222  -3.960   3.992
  309   HD12  ILE  42          1HD1      ILE  42  -1.384  -4.644   3.847
  310   HD13  ILE  42          2HD1      ILE  42  -0.130  -5.523   4.708
  311    H    VAL  43           H        VAL  43   1.802  -3.597   9.241
  312    HA   VAL  43           HA       VAL  43   3.602  -1.426   9.028
  313    HB   VAL  43           HB       VAL  43   3.104  -3.345  11.314
  314   HG11  VAL  43          1HG1      VAL  43   5.166  -2.157  11.712
  315   HG12  VAL  43          2HG1      VAL  43   3.919  -1.388  12.693
  316   HG13  VAL  43          3HG1      VAL  43   4.446  -0.634  11.188
  317   HG21  VAL  43          3HG2      VAL  43   1.892  -0.645  10.647
  318   HG22  VAL  43          1HG2      VAL  43   1.586  -1.557  12.124
  319   HG23  VAL  43          2HG2      VAL  43   1.060  -2.198  10.569
  320    H    SER  44           H        SER  44   4.039  -4.922   9.557
  321    HA   SER  44           HA       SER  44   6.860  -4.815   9.885
  322    HB2  SER  44           1HB      SER  44   5.517  -6.761  10.585
  323    HB3  SER  44           2HB      SER  44   5.114  -7.092   8.905
  324    HG   SER  44           HG       SER  44   7.789  -6.866   9.788
  325    H    TYR  45           H        TYR  45   4.742  -5.324   7.105
  326    HA   TYR  45           HA       TYR  45   6.679  -5.930   5.174
  327    HB2  TYR  45           1HB      TYR  45   4.238  -6.152   4.847
  328    HB3  TYR  45           2HB      TYR  45   4.091  -4.399   4.801
  329    HD1  TYR  45           HD1      TYR  45   6.091  -7.154   3.207
  330    HD2  TYR  45           HD2      TYR  45   4.119  -3.370   2.669
  331    HE1  TYR  45           HE1      TYR  45   6.622  -7.215   0.787
  332    HE2  TYR  45           HE2      TYR  45   4.639  -3.442   0.265
  333    HH   TYR  45           HH       TYR  45   6.908  -5.476  -1.074
  334    H    VAL  46           H        VAL  46   5.208  -2.704   5.776
  335    HA   VAL  46           HA       VAL  46   6.853  -1.226   4.099
  336    HB   VAL  46           HB       VAL  46   5.532  -0.497   6.737
  337   HG11  VAL  46          1HG1      VAL  46   7.064   1.237   4.792
  338   HG12  VAL  46          2HG1      VAL  46   7.288   1.110   6.531
  339   HG13  VAL  46          3HG1      VAL  46   5.854   1.904   5.885
  340   HG21  VAL  46          3HG2      VAL  46   4.849   0.165   3.853
  341   HG22  VAL  46          1HG2      VAL  46   3.908   0.624   5.272
  342   HG23  VAL  46          2HG2      VAL  46   4.054  -1.076   4.821
  343    H    ARG  47           H        ARG  47   7.427  -2.251   7.448
  344    HA   ARG  47           HA       ARG  47   9.866  -0.847   7.799
  345    HB2  ARG  47           1HB      ARG  47   8.706  -3.291   9.147
  346    HB3  ARG  47           2HB      ARG  47  10.219  -2.551   9.660
  347    HG2  ARG  47           1HG      ARG  47   7.883  -0.667   9.368
  348    HG3  ARG  47           2HG      ARG  47   7.773  -1.816  10.696
  349    HD2  ARG  47           1HD      ARG  47   8.845   0.273  11.430
  350    HD3  ARG  47           2HD      ARG  47   9.979  -1.078  11.524
  351    HE   ARG  47           HE       ARG  47   9.996   0.488   9.048
  352   HH11  ARG  47          1HH2      ARG  47  11.434  -0.144  12.146
  353   HH12  ARG  47          2HH2      ARG  47  12.948   0.588  11.728
  354   HH21  ARG  47          1HH1      ARG  47  11.964   1.416   8.509
  355   HH22  ARG  47          2HH1      ARG  47  13.247   1.470   9.672
  356    H    GLU  48           H        GLU  48   9.075  -3.733   6.065
  357    HA   GLU  48           HA       GLU  48  11.549  -5.087   6.192
  358    HB2  GLU  48           1HB      GLU  48   9.372  -5.989   5.225
  359    HB3  GLU  48           2HB      GLU  48   9.699  -5.023   3.791
  360    HG2  GLU  48           1HG      GLU  48  10.532  -7.225   3.340
  361    HG3  GLU  48           2HG      GLU  48  11.935  -6.196   3.611
  362    H    LYS  49           H        LYS  49  10.279  -2.903   3.674
  363    HA   LYS  49           HA       LYS  49  12.951  -2.561   2.531
  364    HB2  LYS  49           1HB      LYS  49  10.269  -1.480   1.648
  365    HB3  LYS  49           2HB      LYS  49  11.784  -1.309   0.783
  366    HG2  LYS  49           1HG      LYS  49  11.354  -3.313  -0.254
  367    HG3  LYS  49           2HG      LYS  49  11.617  -4.104   1.297
  368    HD2  LYS  49           1HD      LYS  49   9.217  -3.712   1.845
  369    HD3  LYS  49           2HD      LYS  49   8.996  -3.063   0.226
  370    HE2  LYS  49           1HE      LYS  49   8.345  -5.408   0.234
  371    HE3  LYS  49           2HE      LYS  49   9.811  -5.218  -0.720
  372    HZ1  LYS  49           3HZ      LYS  49  10.423  -5.650   2.018
  373    HZ2  LYS  49           1HZ      LYS  49  10.911  -6.538   0.658
  374    HZ3  LYS  49           2HZ      LYS  49   9.440  -6.901   1.423
  375    H    GLN  50           H        GLN  50  12.724   0.027   1.545
  376    HA   GLN  50           HA       GLN  50  12.489   1.786   3.899
  377    HB2  GLN  50           1HB      GLN  50  14.706   2.772   3.420
  378    HB3  GLN  50           2HB      GLN  50  14.821   1.077   3.883
  379    HG2  GLN  50           1HG      GLN  50  14.922   0.455   1.471
  380    HG3  GLN  50           2HG      GLN  50  14.908   2.168   1.056
  381   HE21  GLN  50          2HE2      GLN  50  16.950  -0.464   1.983
  382   HE22  GLN  50          1HE2      GLN  50  18.373   0.437   2.197
  383    H    ALA  51           H        ALA  51  13.413   4.104   2.942
  384    HA   ALA  51           HA       ALA  51  11.312   4.984   1.258
  385    HB1  ALA  51           3HB      ALA  51  13.880   6.261   2.223
  386    HB2  ALA  51           1HB      ALA  51  12.238   6.575   2.781
  387    HB3  ALA  51           2HB      ALA  51  12.749   7.120   1.182
  388    H    GLY  52           H        GLY  52  11.205   5.238  -0.921
  389    HA2  GLY  52           1HA      GLY  52  12.062   5.610  -3.091
  390    HA3  GLY  52           2HA      GLY  52  13.648   5.061  -2.560
  391    H    ASP  53           H        ASP  53  11.514   2.903  -1.262
  392    HA   ASP  53           HA       ASP  53  12.181   0.864  -3.204
  393    HB2  ASP  53           1HB      ASP  53  12.128   0.457  -0.764
  394    HB3  ASP  53           2HB      ASP  53  10.391   0.693  -0.772
  395    H    ARG  54           H        ARG  54  10.550  -0.584  -4.100
  396    HA   ARG  54           HA       ARG  54   7.963   0.741  -4.758
  397    HB2  ARG  54           1HB      ARG  54   9.619   0.846  -6.644
  398    HB3  ARG  54           2HB      ARG  54   9.677  -0.914  -6.635
  399    HG2  ARG  54           1HG      ARG  54   7.243  -0.989  -7.066
  400    HG3  ARG  54           2HG      ARG  54   7.207   0.771  -7.101
  401    HD2  ARG  54           1HD      ARG  54   7.319  -0.029  -9.385
  402    HD3  ARG  54           2HD      ARG  54   8.872   0.698  -8.982
  403    HE   ARG  54           HE       ARG  54   8.975  -2.055  -8.383
  404   HH11  ARG  54          1HH2      ARG  54   8.748   0.119 -11.074
  405   HH12  ARG  54          2HH2      ARG  54   9.554  -0.951 -12.175
  406   HH21  ARG  54          1HH1      ARG  54  10.026  -3.451  -9.814
  407   HH22  ARG  54          2HH1      ARG  54  10.278  -2.973 -11.460
  408    H    VAL  55           H        VAL  55   6.352  -0.460  -4.124
  409    HA   VAL  55           HA       VAL  55   6.625  -3.428  -4.007
  410    HB   VAL  55           HB       VAL  55   5.016  -3.327  -2.070
  411   HG11  VAL  55          1HG1      VAL  55   7.449  -3.646  -1.769
  412   HG12  VAL  55          2HG1      VAL  55   6.766  -2.696  -0.450
  413   HG13  VAL  55          3HG1      VAL  55   7.670  -1.898  -1.732
  414   HG21  VAL  55          3HG2      VAL  55   4.850  -1.175  -0.876
  415   HG22  VAL  55          1HG2      VAL  55   4.157  -1.051  -2.491
  416   HG23  VAL  55          2HG2      VAL  55   5.758  -0.386  -2.166
  417    H    ARG  56           H        ARG  56   5.203  -4.569  -4.940
  418    HA   ARG  56           HA       ARG  56   3.060  -3.367  -6.540
  419    HB2  ARG  56           1HB      ARG  56   3.713  -6.317  -6.248
  420    HB3  ARG  56           2HB      ARG  56   2.863  -5.522  -7.571
  421    HG2  ARG  56           1HG      ARG  56   5.785  -5.120  -6.837
  422    HG3  ARG  56           2HG      ARG  56   5.186  -6.043  -8.212
  423    HD2  ARG  56           1HD      ARG  56   5.039  -3.055  -7.767
  424    HD3  ARG  56           2HD      ARG  56   5.758  -3.919  -9.120
  425    HE   ARG  56           HE       ARG  56   2.970  -3.242  -8.791
  426   HH11  ARG  56          1HH2      ARG  56   5.238  -5.442 -10.210
  427   HH12  ARG  56          2HH2      ARG  56   4.185  -5.899 -11.509
  428   HH21  ARG  56          1HH1      ARG  56   1.591  -3.838 -10.474
  429   HH22  ARG  56          2HH1      ARG  56   2.116  -4.989 -11.657
  430    H    VAL  57           H        VAL  57   1.171  -2.971  -5.670
  431    HA   VAL  57           HA       VAL  57   0.208  -4.650  -3.405
  432    HB   VAL  57           HB       VAL  57  -0.503  -1.837  -4.261
  433   HG11  VAL  57          1HG1      VAL  57  -1.712  -3.668  -2.163
  434   HG12  VAL  57          2HG1      VAL  57  -2.545  -2.759  -3.419
  435   HG13  VAL  57          3HG1      VAL  57  -1.839  -1.914  -2.045
  436   HG21  VAL  57          3HG2      VAL  57   1.657  -2.086  -3.091
  437   HG22  VAL  57          1HG2      VAL  57   0.856  -2.969  -1.790
  438   HG23  VAL  57          2HG2      VAL  57   0.483  -1.266  -2.060
  439    H    THR  58           H        THR  58  -1.531  -5.905  -3.620
  440    HA   THR  58           HA       THR  58  -3.062  -5.813  -6.159
  441    HB   THR  58           HB       THR  58  -3.034  -7.977  -4.033
  442    HG1  THR  58           HG1      THR  58  -1.348  -7.399  -6.172
  443   HG21  THR  58          3HG2      THR  58  -3.920  -7.928  -6.927
  444   HG22  THR  58          1HG2      THR  58  -4.985  -7.991  -5.523
  445   HG23  THR  58          2HG2      THR  58  -3.921  -9.350  -5.886
  446    H    PHE  59           H        PHE  59  -5.186  -5.250  -6.174
  447    HA   PHE  59           HA       PHE  59  -6.748  -5.328  -3.682
  448    HB2  PHE  59           1HB      PHE  59  -7.379  -3.031  -3.720
  449    HB3  PHE  59           2HB      PHE  59  -5.629  -3.039  -3.854
  450    HD1  PHE  59           HD1      PHE  59  -8.805  -2.513  -5.687
  451    HD2  PHE  59           HD2      PHE  59  -4.514  -2.360  -5.942
  452    HE1  PHE  59           HE1      PHE  59  -8.975  -1.234  -7.785
  453    HE2  PHE  59           HE2      PHE  59  -4.698  -1.085  -8.056
  454    HZ   PHE  59           HZ       PHE  59  -6.924  -0.510  -8.975
  455    H    ILE  60           H        ILE  60  -9.071  -5.308  -4.062
  456    HA   ILE  60           HA       ILE  60  -9.812  -5.879  -6.854
  457    HB   ILE  60           HB       ILE  60 -10.655  -7.003  -4.198
  458   HG12  ILE  60          1HG1      ILE  60 -10.575  -9.113  -5.453
  459   HG13  ILE  60          2HG1      ILE  60 -10.348  -8.228  -6.963
  460   HG21  ILE  60          1HG2      ILE  60 -12.716  -7.976  -5.403
  461   HG22  ILE  60          2HG2      ILE  60 -12.464  -6.716  -6.613
  462   HG23  ILE  60          3HG2      ILE  60 -12.817  -6.278  -4.943
  463   HD11  ILE  60          3HD1      ILE  60  -8.395  -7.778  -4.710
  464   HD12  ILE  60          1HD1      ILE  60  -8.152  -7.646  -6.452
  465   HD13  ILE  60          2HD1      ILE  60  -8.258  -9.233  -5.697
  466    H    ARG  61           H        ARG  61 -11.440  -4.877  -7.812
  467    HA   ARG  61           HA       ARG  61 -13.136  -3.020  -6.311
  468    HB2  ARG  61           1HB      ARG  61 -11.254  -1.650  -7.020
  469    HB3  ARG  61           2HB      ARG  61 -11.410  -2.232  -8.671
  470    HG2  ARG  61           1HG      ARG  61 -13.605  -1.189  -8.880
  471    HG3  ARG  61           2HG      ARG  61 -13.588  -0.743  -7.177
  472    HD2  ARG  61           1HD      ARG  61 -11.641   0.714  -7.583
  473    HD3  ARG  61           2HD      ARG  61 -11.661   0.259  -9.289
  474    HE   ARG  61           HE       ARG  61 -14.198   1.261  -8.401
  475   HH11  ARG  61          1HH2      ARG  61 -11.019   2.171  -9.455
  476   HH12  ARG  61          2HH2      ARG  61 -11.529   3.713 -10.060
  477   HH21  ARG  61          1HH1      ARG  61 -14.853   3.254  -9.190
  478   HH22  ARG  61          2HH1      ARG  61 -13.699   4.325  -9.912
  479    H    ASP  62           H        ASP  62 -15.123  -3.400  -6.855
  480    HA   ASP  62           HA       ASP  62 -17.015  -4.160  -7.982
  481    HB2  ASP  62           1HB      ASP  62 -15.432  -2.928 -10.249
  482    HB3  ASP  62           2HB      ASP  62 -17.092  -3.487 -10.429
  483    H    ARG  63           H        ARG  63 -15.089  -6.180  -7.519
  484    HA   ARG  63           HA       ARG  63 -14.718  -8.343  -8.040
  485    HB2  ARG  63           1HB      ARG  63 -16.633  -7.898 -10.335
  486    HB3  ARG  63           2HB      ARG  63 -16.065  -9.444  -9.745
  487    HG2  ARG  63           1HG      ARG  63 -17.110  -9.069  -7.584
  488    HG3  ARG  63           2HG      ARG  63 -17.600  -7.445  -8.069
  489    HD2  ARG  63           1HD      ARG  63 -19.499  -8.944  -8.335
  490    HD3  ARG  63           2HD      ARG  63 -18.934  -8.455  -9.932
  491    HE   ARG  63           HE       ARG  63 -17.656 -10.864  -9.113
  492   HH11  ARG  63          1HH2      ARG  63 -20.660  -9.559 -10.244
  493   HH12  ARG  63          2HH2      ARG  63 -21.169 -11.035 -10.997
  494   HH21  ARG  63          1HH1      ARG  63 -18.318 -12.790 -10.099
  495   HH22  ARG  63          2HH1      ARG  63 -19.844 -12.862 -10.916
  496    H    LYS  64           H        LYS  64 -13.438  -5.885  -9.496
  497    HA   LYS  64           HA       LYS  64 -12.024  -7.429 -11.611
  498    HB2  LYS  64           1HB      LYS  64 -12.193  -4.412 -11.366
  499    HB3  LYS  64           2HB      LYS  64 -11.555  -5.346 -12.715
  500    HG2  LYS  64           1HG      LYS  64 -13.878  -6.354 -12.975
  501    HG3  LYS  64           2HG      LYS  64 -14.434  -5.158 -11.810
  502    HD2  LYS  64           1HD      LYS  64 -13.076  -4.546 -14.444
  503    HD3  LYS  64           2HD      LYS  64 -14.795  -4.374 -14.110
  504    HE2  LYS  64           1HE      LYS  64 -14.012  -2.175 -13.788
  505    HE3  LYS  64           2HE      LYS  64 -13.983  -2.806 -12.143
  506    HZ1  LYS  64           3HZ      LYS  64 -11.857  -2.187 -12.163
  507    HZ2  LYS  64           1HZ      LYS  64 -11.811  -2.024 -13.851
  508    HZ3  LYS  64           2HZ      LYS  64 -11.577  -3.548 -13.139
  509    H    GLN  65           H        GLN  65 -10.204  -8.202 -10.751
  510    HA   GLN  65           HA       GLN  65  -8.793  -6.915  -8.617
  511    HB2  GLN  65           1HB      GLN  65  -7.197  -8.766  -8.853
  512    HB3  GLN  65           2HB      GLN  65  -8.859  -9.350  -8.771
  513    HG2  GLN  65           1HG      GLN  65  -8.871  -9.392 -11.305
  514    HG3  GLN  65           2HG      GLN  65  -7.145  -9.045 -11.250
  515   HE21  GLN  65          2HE2      GLN  65  -7.287 -11.315 -12.431
  516   HE22  GLN  65          1HE2      GLN  65  -7.145 -12.666 -11.412
  517    H    HIS  66           H        HIS  66  -7.143  -5.551  -8.703
  518    HA   HIS  66           HA       HIS  66  -5.499  -5.310 -11.137
  519    HB2  HIS  66           1HB      HIS  66  -6.988  -2.983  -9.905
  520    HB3  HIS  66           2HB      HIS  66  -5.739  -2.841 -11.137
  521    HD1  HIS  66           HD1      HIS  66  -6.295  -4.037 -13.490
  522    HD2  HIS  66           HD2      HIS  66  -9.496  -3.565 -10.881
  523    HE1  HIS  66           HE1      HIS  66  -8.391  -4.358 -14.876
  524    HE2  HIS  66           HE2      HIS  66 -10.360  -4.072 -13.298
  525    H    GLU  67           H        GLU  67  -3.472  -4.585 -10.778
  526    HA   GLU  67           HA       GLU  67  -2.503  -4.539  -8.043
  527    HB2  GLU  67           1HB      GLU  67  -1.052  -4.571 -10.694
  528    HB3  GLU  67           2HB      GLU  67  -0.260  -4.602  -9.120
  529    HG2  GLU  67           1HG      GLU  67  -0.414  -6.882  -9.855
  530    HG3  GLU  67           2HG      GLU  67  -1.614  -6.681  -8.582
  531    H    ALA  68           H        ALA  68  -1.664  -2.826  -7.052
  532    HA   ALA  68           HA       ALA  68  -1.720  -0.189  -8.417
  533    HB1  ALA  68           3HB      ALA  68  -3.207   0.074  -6.637
  534    HB2  ALA  68           1HB      ALA  68  -1.709   0.545  -5.834
  535    HB3  ALA  68           2HB      ALA  68  -2.356  -1.080  -5.620
  536    H    GLU  69           H        GLU  69   0.134   0.631  -8.875
  537    HA   GLU  69           HA       GLU  69   2.637  -0.358  -7.771
  538    HB2  GLU  69           1HB      GLU  69   2.026   1.848  -9.764
  539    HB3  GLU  69           2HB      GLU  69   3.657   1.367  -9.294
  540    HG2  GLU  69           1HG      GLU  69   3.243  -0.912 -10.091
  541    HG3  GLU  69           2HG      GLU  69   1.586  -0.482 -10.509
  542    H    LEU  70           H        LEU  70   2.904   0.233  -5.695
  543    HA   LEU  70           HA       LEU  70   2.646   3.102  -4.950
  544    HB2  LEU  70           1HB      LEU  70   1.216   1.610  -3.696
  545    HB3  LEU  70           2HB      LEU  70   2.595   0.624  -3.241
  546    HG   LEU  70           HG       LEU  70   2.951   3.512  -2.585
  547   HD11  LEU  70          1HD1      LEU  70   0.565   3.395  -2.134
  548   HD12  LEU  70          2HD1      LEU  70   1.453   3.446  -0.610
  549   HD13  LEU  70          3HD1      LEU  70   0.784   1.920  -1.193
  550   HD21  LEU  70          3HD2      LEU  70   4.409   1.591  -1.840
  551   HD22  LEU  70          1HD2      LEU  70   3.088   1.060  -0.806
  552   HD23  LEU  70          2HD2      LEU  70   3.850   2.629  -0.531
  553    H    VAL  71           H        VAL  71   4.317   4.177  -4.065
  554    HA   VAL  71           HA       VAL  71   6.936   2.777  -3.858
  555    HB   VAL  71           HB       VAL  71   6.498   5.677  -4.625
  556   HG11  VAL  71          1HG1      VAL  71   8.934   3.889  -4.897
  557   HG12  VAL  71          2HG1      VAL  71   8.705   5.028  -3.572
  558   HG13  VAL  71          3HG1      VAL  71   8.851   5.617  -5.224
  559   HG21  VAL  71          3HG2      VAL  71   7.061   3.252  -6.362
  560   HG22  VAL  71          1HG2      VAL  71   7.092   4.923  -6.920
  561   HG23  VAL  71          2HG2      VAL  71   5.578   4.208  -6.367
  562    H    LEU  72           H        LEU  72   7.984   2.946  -2.004
  563    HA   LEU  72           HA       LEU  72   6.771   4.064   0.291
  564    HB2  LEU  72           1HB      LEU  72   9.508   2.923  -0.291
  565    HB3  LEU  72           2HB      LEU  72   9.122   3.567   1.298
  566    HG   LEU  72           HG       LEU  72   8.765   1.102   1.154
  567   HD11  LEU  72          1HD1      LEU  72   6.862   1.094   2.460
  568   HD12  LEU  72          2HD1      LEU  72   5.984   2.224   1.444
  569   HD13  LEU  72          3HD1      LEU  72   7.239   2.812   2.538
  570   HD21  LEU  72          3HD2      LEU  72   7.128   0.139  -0.283
  571   HD22  LEU  72          1HD2      LEU  72   8.041   1.236  -1.317
  572   HD23  LEU  72          2HD2      LEU  72   6.456   1.706  -0.705
  573    H    LYS  73           H        LYS  73   6.681   6.087   0.957
  574    HA   LYS  73           HA       LYS  73   8.885   7.900   0.248
  575    HB2  LYS  73           1HB      LYS  73   6.930   8.256  -1.213
  576    HB3  LYS  73           2HB      LYS  73   5.967   8.634   0.215
  577    HG2  LYS  73           1HG      LYS  73   7.443  10.513   0.753
  578    HG3  LYS  73           2HG      LYS  73   8.499  10.100  -0.598
  579    HD2  LYS  73           1HD      LYS  73   6.642  10.493  -2.175
  580    HD3  LYS  73           2HD      LYS  73   5.590  10.920  -0.826
  581    HE2  LYS  73           1HE      LYS  73   8.167  12.361  -1.522
  582    HE3  LYS  73           2HE      LYS  73   6.552  12.925  -1.955
  583    HZ1  LYS  73           3HZ      LYS  73   7.052  14.020   0.021
  584    HZ2  LYS  73           1HZ      LYS  73   7.741  12.644   0.734
  585    HZ3  LYS  73           2HZ      LYS  73   6.058  12.734   0.515
  586    HA   PRO  74           HA       PRO  74   8.513   8.510   4.739
  587    HB2  PRO  74           1HB      PRO  74  10.673  10.114   5.108
  588    HB3  PRO  74           2HB      PRO  74  10.847   8.389   4.754
  589    HG2  PRO  74           1HG      PRO  74  11.110  10.737   2.909
  590    HG3  PRO  74           2HG      PRO  74  12.111   9.274   3.016
  591    HD2  PRO  74           1HD      PRO  74  10.119   9.616   1.138
  592    HD3  PRO  74           2HD      PRO  74  10.646   8.025   1.732
  593    H    PHE  75           H        PHE  75   8.796  10.572   6.212
  594    HA   PHE  75           HA       PHE  75   7.181  12.740   4.997
  595    HB2  PHE  75           1HB      PHE  75   7.072  11.617   7.798
  596    HB3  PHE  75           2HB      PHE  75   6.257  13.097   7.300
  597    HD1  PHE  75           HD2      PHE  75   4.490  13.043   5.531
  598    HD2  PHE  75           HD1      PHE  75   6.214   9.451   7.138
  599    HE1  PHE  75           HE2      PHE  75   2.605  11.723   4.604
  600    HE2  PHE  75           HE1      PHE  75   4.328   8.140   6.210
  601    HZ   PHE  75           HZ       PHE  75   2.526   9.269   4.949
  602    HA   PRO  76           HA       PRO  76  10.494  15.466   6.185
  603    HB2  PRO  76           1HB      PRO  76   9.132  17.878   6.321
  604    HB3  PRO  76           2HB      PRO  76   9.577  17.091   4.793
  605    HG2  PRO  76           1HG      PRO  76   6.941  17.097   6.218
  606    HG3  PRO  76           2HG      PRO  76   7.280  17.219   4.481
  607    HD2  PRO  76           1HD      PRO  76   6.465  14.885   5.666
  608    HD3  PRO  76           2HD      PRO  76   7.512  14.920   4.225
  609    H    HIS  77           H        HIS  77   7.473  15.619   8.031
  610    HA   HIS  77           HA       HIS  77   8.593  16.933  10.312
  611    HB2  HIS  77           1HB      HIS  77   6.098  15.236  10.035
  612    HB3  HIS  77           2HB      HIS  77   6.504  16.224  11.439
  613    HD1  HIS  77           HD1      HIS  77   7.481  18.791  10.184
  614    HD2  HIS  77           HD2      HIS  77   4.162  16.730   8.728
  615    HE1  HIS  77           HE1      HIS  77   6.098  20.477   8.896
  616    HE2  HIS  77           HE2      HIS  77   4.071  19.236   8.003
  617    H    HIS  78           H        HIS  78   8.045  13.581   9.387
  618    HA   HIS  78           HA       HIS  78   9.898  12.687  11.518
  619    HB2  HIS  78           1HB      HIS  78   7.173  11.489  10.959
  620    HB3  HIS  78           2HB      HIS  78   8.383  10.812  12.051
  621    HD1  HIS  78           HD1      HIS  78   9.360  13.368  13.449
  622    HD2  HIS  78           HD2      HIS  78   5.330  12.537  12.773
  623    HE1  HIS  78           HE1      HIS  78   8.055  14.721  15.146
  624    HE2  HIS  78           HE2      HIS  78   5.597  14.226  14.747
  625    HA   PRO  79           HA       PRO  79  10.833  10.940   7.277
  626    HB2  PRO  79           1HB      PRO  79  13.614  11.281   8.346
  627    HB3  PRO  79           2HB      PRO  79  12.965  11.725   6.754
  628    HG2  PRO  79           1HG      PRO  79  13.490  13.587   8.611
  629    HG3  PRO  79           2HG      PRO  79  12.095  13.736   7.524
  630    HD2  PRO  79           1HD      PRO  79  12.143  12.905  10.421
  631    HD3  PRO  79           2HD      PRO  79  10.943  13.890   9.555
  632    H    ASN  80           H        ASN  80  11.713  10.216  10.527
  633    HA   ASN  80           HA       ASN  80  13.056   7.773  10.221
  634    HB2  ASN  80           1HB      ASN  80  11.190   8.601  12.459
  635    HB3  ASN  80           2HB      ASN  80  12.386   7.309  12.534
  636   HD21  ASN  80          2HD2      ASN  80  11.988  10.350  13.632
  637   HD22  ASN  80          1HD2      ASN  80  13.586  10.919  13.561
  638    H    GLN  81           H        GLN  81   9.756   8.577   9.604
  639    HA   GLN  81           HA       GLN  81   8.969   5.733   9.619
  640    HB2  GLN  81           1HB      GLN  81   7.664   7.290  11.108
  641    HB3  GLN  81           2HB      GLN  81   7.179   8.177   9.663
  642    HG2  GLN  81           1HG      GLN  81   5.423   6.591  10.226
  643    HG3  GLN  81           2HG      GLN  81   6.208   6.040   8.753
  644   HE21  GLN  81          2HE2      GLN  81   5.912   3.769   9.020
  645   HE22  GLN  81          1HE2      GLN  81   6.572   2.896  10.319
  646    H    ILE  82           H        ILE  82   7.952   4.904   7.843
  647    HA   ILE  82           HA       ILE  82   8.517   6.298   5.329
  648    HB   ILE  82           HB       ILE  82   7.408   3.556   5.157
  649   HG12  ILE  82          1HG1      ILE  82   8.589   3.277   7.280
  650   HG13  ILE  82          2HG1      ILE  82   9.491   2.481   5.998
  651   HG21  ILE  82          1HG2      ILE  82   8.474   4.755   3.281
  652   HG22  ILE  82          2HG2      ILE  82   9.329   3.260   3.668
  653   HG23  ILE  82          3HG2      ILE  82   9.985   4.817   4.186
  654   HD11  ILE  82          3HD1      ILE  82  10.534   5.112   6.056
  655   HD12  ILE  82          1HD1      ILE  82  11.297   3.654   6.690
  656   HD13  ILE  82          2HD1      ILE  82  10.316   4.664   7.746
  657    H    GLY  83           H        GLY  83   6.816   5.571   3.538
  658    HA2  GLY  83           1HA      GLY  83   4.470   7.061   4.065
  659    HA3  GLY  83           2HA      GLY  83   4.754   6.059   2.648
  660    H    LEU  84           H        LEU  84   2.554   6.499   4.887
  661    HA   LEU  84           HA       LEU  84   2.065   3.677   5.616
  662    HB2  LEU  84           1HB      LEU  84   0.456   6.107   6.439
  663    HB3  LEU  84           2HB      LEU  84   0.488   4.516   7.198
  664    HG   LEU  84           HG       LEU  84   2.802   6.481   7.089
  665   HD11  LEU  84          1HD1      LEU  84   1.132   5.506   9.424
  666   HD12  LEU  84          2HD1      LEU  84   0.959   7.081   8.650
  667   HD13  LEU  84          3HD1      LEU  84   2.452   6.673   9.498
  668   HD21  LEU  84          3HD2      LEU  84   2.558   3.657   8.179
  669   HD22  LEU  84          1HD2      LEU  84   3.792   4.778   8.760
  670   HD23  LEU  84          2HD2      LEU  84   3.774   4.296   7.070
  671    H    GLY  85           H        GLY  85   1.087   6.053   3.337
  672    HA2  GLY  85           1HA      GLY  85  -0.386   5.930   1.574
  673    HA3  GLY  85           2HA      GLY  85  -0.590   4.223   1.946
  674    H    VAL  86           H        VAL  86  -2.310   3.557   3.224
  675    HA   VAL  86           HA       VAL  86  -4.448   5.576   3.696
  676    HB   VAL  86           HB       VAL  86  -5.987   3.666   3.567
  677   HG11  VAL  86          1HG1      VAL  86  -5.565   3.140   1.123
  678   HG12  VAL  86          2HG1      VAL  86  -4.025   3.982   1.271
  679   HG13  VAL  86          3HG1      VAL  86  -5.535   4.858   1.510
  680   HG21  VAL  86          3HG2      VAL  86  -5.092   1.476   2.764
  681   HG22  VAL  86          1HG2      VAL  86  -4.521   1.883   4.382
  682   HG23  VAL  86          2HG2      VAL  86  -3.457   2.091   2.990
  683    H    THR  87           H        THR  87  -5.998   4.860   5.503
  684    HA   THR  87           HA       THR  87  -4.474   4.770   7.934
  685    HB   THR  87           HB       THR  87  -7.474   4.642   7.569
  686    HG1  THR  87           HG1      THR  87  -6.633   7.033   8.269
  687   HG21  THR  87          3HG2      THR  87  -7.464   5.672   9.830
  688   HG22  THR  87          1HG2      THR  87  -5.708   5.528   9.869
  689   HG23  THR  87          2HG2      THR  87  -6.711   4.078   9.833