*HEADER    ANTIMICROBIAL PROTEIN                   20-DEC-12   2M2H              
*TITLE     SOLUTION STRUCTURE OF THE ANTIMICROBIAL PEPTIDE [ABA3,7,12,16]BTD-2   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: [ABA3,7,12,16]BTD-2;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS                         
*KEYWDS    THETA-DEFENSIN, CYCLIC PEPTIDES, CYCLIC CYSTINE LADDER, DISULFIDE     
*KEYWDS   2 BOND, ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.C.CONIBEAR, K.ROSENGREN, N.L.DALY, S.TROIERA HENRIQUES, D.J.CRAIK   
*REVDAT   1   27-FEB-13 2M2H    0                                                


! H proton - H proton
assign (resid  10 and name   HN)   (resid  10 and name  HA1)   2.240    0.440    0.440  
assign (resid  10 and name   HN)   (resid  10 and name  HA2)   2.240    0.440    0.440  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.580    0.780    0.780  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.550    0.750    0.750  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.550    0.750    0.750  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.765    0.965    0.965  
assign (resid   6 and name   HN)   (resid   6 and name   HB)   2.505    0.705    0.705  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.720    0.920    0.920  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.720    0.920    0.920  
assign (resid   9 and name   HN)   (resid   9 and name   HA)   2.195    0.395    0.395  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.970    1.170    1.170  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.920    1.120    1.120  
assign (resid   8 and name   HN)   (resid  11 and name   HN)   2.910    0.810    0.810  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.425    0.625    0.625  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.225    0.425    0.425  
assign (resid   8 and name   HN)   (resid  11 and name   HB)   2.830    1.030    1.030  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.100    0.300    0.300  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.195    0.395    0.395  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.225    0.425    0.425  
assign (resid   7 and name   HA)   (resid  13 and name   HN)   2.970    1.170    1.170  
assign (resid   5 and name   HN)   (resid   4 and name   HA)   2.395    0.595    0.595  
assign (resid   5 and name   HN)   (resid   4 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   3.000    1.200    1.200  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   2.595    0.795    0.795  
assign (resid   5 and name   HA)   (resid   5 and name  HB1)   2.365    0.565    0.565  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.145    0.345    0.345  
assign (resid   6 and name   HB)   (resid   7 and name   HN)   2.845    1.045    1.045  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.380    0.580    0.580  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.145    0.345    0.345  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   3.440    1.640    1.640  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.505    0.705    0.705  
assign (resid   9 and name   HA)   (resid   9 and name  HB2)   2.335    0.535    0.535  
assign (resid  13 and name   HN)   (resid  13 and name  HD#)   4.090    2.290    2.290  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   4.090    2.290    2.290  
assign (resid   9 and name   HN)   (resid   9 and name  HD#)   4.090    2.290    2.290  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   3.795    1.995    1.995  
assign (resid   5 and name   HN)   (resid   4 and name  HB#)   4.090    2.290    2.290  
assign (resid  11 and name   HN)   (resid  11 and name  HG*)   4.375    2.575    2.575  
assign (resid   6 and name   HN)   (resid   6 and name  HG*)   4.280    2.480    2.480  
assign (resid  12 and name   HN)   (resid  12 and name  HG#)   4.160    2.360    2.360  
assign (resid   7 and name   HN)   (resid   7 and name  HG#)   4.130    2.330    2.330  
assign (resid  10 and name   HN)   (resid  11 and name  HG*)   4.700    2.900    2.900  
assign (resid   7 and name  HG#)   (resid  11 and name   HN)   4.160    2.360    2.360  
assign (resid  11 and name  HG*)   (resid  12 and name   HN)   4.330    2.530    2.530  
assign (resid  12 and name  HG#)   (resid  13 and name   HN)   3.385    1.585    1.585  
assign (resid   5 and name  HB2)   (resid  12 and name  HG#)   4.460    2.360    2.360  
assign (resid   5 and name  HB1)   (resid  12 and name  HG#)   4.160    2.360    2.360  
assign (resid   6 and name   HN)   (resid  12 and name  HG#)   3.745    1.645    1.645  
assign (resid   7 and name   HN)   (resid  11 and name  HG*)   4.670    2.870    2.870  
assign (resid   7 and name  HG#)   (resid   8 and name   HN)   3.150    1.350    1.350  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.460    0.660    0.660  
assign (resid   7 and name  HG#)   (resid  10 and name  HA#)   4.045    2.245    2.245  
assign (resid   8 and name   HN)   (resid   8 and name  HG#)   2.975    1.175    1.175  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.340    0.540    0.540  
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   3.175    1.375    1.375  
assign (resid   1 and name   HN)   (resid   1 and name  HA1)   2.240    0.440    0.440  
assign (resid   1 and name   HN)   (resid   1 and name  HA2)   2.240    0.440    0.440  
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.580    0.780    0.780  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.550    0.750    0.750  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.550    0.750    0.750  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.765    0.965    0.965  
assign (resid  15 and name   HN)   (resid  15 and name   HB)   2.505    0.705    0.705  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.720    0.920    0.920  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.720    0.920    0.920  
assign (resid  18 and name   HN)   (resid  18 and name   HA)   2.195    0.395    0.395  
assign (resid  18 and name   HN)   (resid  18 and name  HB2)   2.970    1.170    1.170  
assign (resid  18 and name   HN)   (resid  18 and name  HB1)   2.920    1.120    1.120  
assign (resid  17 and name   HN)   (resid   2 and name   HN)   2.910    0.810    0.810  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.425    0.625    0.625  
assign (resid  18 and name   HA)   (resid   1 and name   HN)   2.225    0.425    0.425  
assign (resid  17 and name   HN)   (resid   2 and name   HB)   2.830    1.030    1.030  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.100    0.300    0.300  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.195    0.395    0.395  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.225    0.425    0.425  
assign (resid  16 and name   HA)   (resid   4 and name   HN)   2.970    1.170    1.170  
assign (resid  14 and name   HN)   (resid  13 and name   HA)   2.395    0.595    0.595  
assign (resid  14 and name   HN)   (resid  13 and name   HN)   3.650    1.850    1.850  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   3.000    1.200    1.200  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.595    0.795    0.795  
assign (resid  14 and name   HA)   (resid  14 and name  HB1)   2.365    0.565    0.565  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.145    0.345    0.345  
assign (resid  15 and name   HB)   (resid  16 and name   HN)   2.845    1.045    1.045  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.380    0.580    0.580  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.145    0.345    0.345  
assign (resid  17 and name  HB#)   (resid  18 and name   HN)   3.440    1.640    1.640  
assign (resid  18 and name   HN)   (resid   1 and name   HN)   2.505    0.705    0.705  
assign (resid  18 and name   HA)   (resid  18 and name  HB2)   2.335    0.535    0.535  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   4.090    2.290    2.290  
assign (resid  17 and name   HN)   (resid  17 and name  HD#)   4.090    2.290    2.290  
assign (resid  18 and name   HN)   (resid  18 and name  HD#)   4.090    2.290    2.290  
assign (resid  18 and name   HN)   (resid  18 and name  HG#)   3.795    1.995    1.995  
assign (resid  14 and name   HN)   (resid  13 and name  HB#)   4.090    2.290    2.290  
assign (resid   2 and name   HN)   (resid   2 and name  HG*)   4.375    2.575    2.575  
assign (resid  15 and name   HN)   (resid  15 and name  HG*)   4.280    2.480    2.480  
assign (resid   3 and name   HN)   (resid   3 and name  HG#)   4.160    2.360    2.360  
assign (resid  16 and name   HN)   (resid  16 and name  HG#)   4.130    2.330    2.330  
assign (resid   1 and name   HN)   (resid   2 and name  HG*)   4.700    2.900    2.900  
assign (resid  16 and name  HG#)   (resid   2 and name   HN)   4.160    2.360    2.360  
assign (resid   2 and name  HG*)   (resid   3 and name   HN)   4.330    2.530    2.530  
assign (resid   3 and name  HG#)   (resid   4 and name   HN)   3.385    1.585    1.585  
assign (resid  14 and name  HB2)   (resid   3 and name  HG#)   4.460    2.360    2.360  
assign (resid  14 and name  HB1)   (resid   3 and name  HG#)   4.160    2.360    2.360  
assign (resid  15 and name   HN)   (resid   3 and name  HG#)   3.745    1.645    1.645  
assign (resid  16 and name   HN)   (resid   2 and name  HG*)   4.670    2.870    2.870  
assign (resid  16 and name  HG#)   (resid  17 and name   HN)   3.150    1.350    1.350  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.460    0.660    0.660  
assign (resid  16 and name  HG#)   (resid   1 and name  HA#)   4.045    2.245    2.245  
assign (resid  17 and name   HN)   (resid  17 and name  HG#)   2.975    1.175    1.175  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.340    0.540    0.540  
assign (resid   4 and name   HN)   (resid   4 and name  HG#)   3.175    1.375    1.375
assign (resid  14 and name   HA)   (resid   5 and name   HA)   2.180    0.180    100.0 
!
!Dihedral angles
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0 -109.6   58.1 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  136.1   32.7 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -103.8   30.3 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  113.8   34.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -106.7   57.9 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  137.4   31.2 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -134.2   45.1 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  149.1   40.3 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name SG   )    1.0  -60.0   30.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -129.8   27.4 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  133.3   30.7 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -105.3   23.3 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  116.6   27.4 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -91.4   43.1 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  136.8   37.9 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0   51.4   21.8 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0  180.0   30.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0 -109.6   58.1 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  136.1   32.7 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -103.3   30.5 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  113.5   33.5 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0 -106.7   57.9 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  137.4   31.2 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -134.2   45.1 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  149.1   40.3 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name SG   )    1.0  -60.0   30.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -129.8   27.4 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  133.3   30.7 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -105.3   23.3 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  116.6   27.4 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -91.4   43.1 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  136.8   37.9 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0   51.4   21.8 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG   )    1.0  180.0   30.0 2
!
!Hbonds
assign (resid   2 and name   HN)   (resid  17 and name    O)   1.900    0.100    0.100
assign (resid   2 and name    N)   (resid  17 and name    O)   2.400    0.600    0.600  
assign (resid   2 and name    O)   (resid  17 and name   HN)   1.900    0.100    0.100  
assign (resid   2 and name    O)   (resid  17 and name    N)   2.400    0.600    0.600  
assign (resid   4 and name   HN)   (resid  15 and name    O)   1.900    0.100    0.100  
assign (resid   4 and name    N)   (resid  15 and name    O)   2.400    0.600    0.600  
assign (resid   4 and name    O)   (resid  15 and name   HN)   1.900    0.100    0.100  
assign (resid   4 and name    O)   (resid  15 and name    N)   2.400    0.600    0.600  
assign (resid   6 and name   HN)   (resid  13 and name    O)   1.900    0.100    0.100  
assign (resid   6 and name    N)   (resid  13 and name    O)   2.400    0.600    0.600  
assign (resid   6 and name    O)   (resid  13 and name   HN)   1.900    0.100    0.100  
assign (resid   6 and name    O)   (resid  13 and name    N)   2.400    0.600    0.600  
assign (resid   8 and name   HN)   (resid  11 and name    O)   1.900    0.100    0.100  
assign (resid   8 and name    N)   (resid  11 and name    O)   2.400    0.600    0.600  
assign (resid   8 and name    O)   (resid  11 and name   HN)   1.900    0.100    0.100  
assign (resid   8 and name    O)   (resid  11 and name    N)   2.400    0.600    0.600  
       

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  10.645  -0.303  -3.857
    2    HA2  GLY   1           2HA      GLY   1  11.325  -2.503  -3.958
    3    HA3  GLY   1           1HA      GLY   1  12.414  -2.133  -2.634
    4    H    VAL   2           H        VAL   2  10.009  -0.882  -1.207
    5    HA   VAL   2           HA       VAL   2   9.259  -3.355   0.087
    6    HB   VAL   2           HB       VAL   2   8.541  -0.492   0.810
    7   HG11  VAL   2          1HG1      VAL   2   6.958  -2.087   1.745
    8   HG12  VAL   2          2HG1      VAL   2   7.963  -1.395   3.017
    9   HG13  VAL   2          3HG1      VAL   2   8.285  -3.027   2.430
   10   HG21  VAL   2          3HG2      VAL   2  10.941  -0.838   0.934
   11   HG22  VAL   2          1HG2      VAL   2  10.707  -2.281   1.920
   12   HG23  VAL   2          2HG2      VAL   2  10.264  -0.701   2.559
   13    H    ABA   3           H        ABU   3   7.717  -4.403  -0.996
   14    HA   ABA   3           HA       ABU   3   5.576  -3.065  -2.349
   15    HB3  ABA   3           1HB      ABU   3   5.863  -5.986  -1.563
   16    HB2  ABA   3           2HB      ABU   3   6.409  -5.292  -3.084
   17    HG1  ABA   3           1HG      ABU   3   4.105  -4.748  -3.674
   18    HG3  ABA   3           3HG      ABU   3   4.310  -6.472  -3.371
   19    HG2  ABA   3           2HG      ABU   3   3.553  -5.445  -2.154
   20    H    ARG   4           H        ARG   4   4.110  -2.027  -1.223
   21    HA   ARG   4           HA       ARG   4   3.238  -3.181   1.324
   22    HB2  ARG   4           2HB      ARG   4   4.481  -1.125   1.670
   23    HB3  ARG   4           1HB      ARG   4   3.476  -0.290   0.501
   24    HG2  ARG   4           2HG      ARG   4   1.545  -0.525   1.972
   25    HG3  ARG   4           1HG      ARG   4   2.539  -1.404   3.138
   26    HD2  ARG   4           2HD      ARG   4   3.098   1.404   2.200
   27    HD3  ARG   4           1HD      ARG   4   2.233   1.014   3.691
   28    HE   ARG   4           HE       ARG   4   4.362  -0.301   4.193
   29   HH11  ARG   4          1HH1      ARG   4   4.357   2.825   2.471
   30   HH12  ARG   4          2HH1      ARG   4   5.873   3.298   3.075
   31   HH21  ARG   4          1HH2      ARG   4   6.433   0.405   5.055
   32   HH22  ARG   4          2HH2      ARG   4   7.065   1.907   4.575
   33    H    CYS   5           H        CYS   5   1.224  -3.777   1.407
   34    HA   CYS   5           HA       CYS   5  -0.652  -2.784  -0.582
   35    HB2  CYS   5           2HB      CYS   5  -0.928  -5.088   1.355
   36    HB3  CYS   5           1HB      CYS   5  -2.040  -4.640   0.060
   37    H    VAL   6           H        VAL   6  -1.806  -1.230  -0.097
   38    HA   VAL   6           HA       VAL   6  -2.448  -0.664   2.721
   39    HB   VAL   6           HB       VAL   6  -2.448   1.309   0.434
   40   HG11  VAL   6          1HG1      VAL   6  -2.425   3.018   2.189
   41   HG12  VAL   6          2HG1      VAL   6  -2.471   1.748   3.409
   42   HG13  VAL   6          3HG1      VAL   6  -3.832   1.959   2.307
   43   HG21  VAL   6          3HG2      VAL   6  -0.161   0.532   0.708
   44   HG22  VAL   6          1HG2      VAL   6  -0.236   0.859   2.439
   45   HG23  VAL   6          2HG2      VAL   6  -0.309   2.191   1.285
   46    H    ABA   7           H        ABU   7  -4.542  -0.556   3.184
   47    HA   ABA   7           HA       ABU   7  -6.463  -1.170   1.126
   48    HB3  ABA   7           1HB      ABU   7  -8.075  -1.249   3.004
   49    HB2  ABA   7           2HB      ABU   7  -6.804  -0.733   4.105
   50    HG1  ABA   7           1HG      ABU   7  -5.554  -2.774   3.636
   51    HG3  ABA   7           3HG      ABU   7  -7.169  -3.134   4.251
   52    HG2  ABA   7           2HG      ABU   7  -6.825  -3.297   2.529
   53    H    ARG   8           H        ARG   8  -7.191   0.403  -0.042
   54    HA   ARG   8           HA       ARG   8  -7.557   3.060   1.142
   55    HB2  ARG   8           2HB      ARG   8  -7.039   2.279  -1.734
   56    HB3  ARG   8           1HB      ARG   8  -7.416   3.903  -1.198
   57    HG2  ARG   8           2HG      ARG   8  -4.985   2.339  -0.333
   58    HG3  ARG   8           1HG      ARG   8  -5.005   3.517  -1.645
   59    HD2  ARG   8           2HD      ARG   8  -4.131   4.602   0.305
   60    HD3  ARG   8           1HD      ARG   8  -5.741   5.238   0.016
   61    HE   ARG   8           HE       ARG   8  -5.921   3.103   1.838
   62   HH11  ARG   8          1HH1      ARG   8  -4.709   6.424   1.729
   63   HH12  ARG   8          2HH1      ARG   8  -4.926   6.698   3.386
   64   HH21  ARG   8          1HH2      ARG   8  -6.220   3.463   4.081
   65   HH22  ARG   8          2HH2      ARG   8  -5.770   4.964   4.762
   66    H    ARG   9           H        ARG   9  -9.544   2.933   1.852
   67    HA   ARG   9           HA       ARG   9 -11.757   2.774   1.942
   68    HB2  ARG   9           2HB      ARG   9 -11.440   4.715   0.402
   69    HB3  ARG   9           1HB      ARG   9 -11.557   3.618  -0.957
   70    HG2  ARG   9           2HG      ARG   9 -13.858   3.252  -0.595
   71    HG3  ARG   9           1HG      ARG   9 -13.801   3.979   1.011
   72    HD2  ARG   9           2HD      ARG   9 -13.307   5.426  -1.590
   73    HD3  ARG   9           1HD      ARG   9 -14.786   5.515  -0.627
   74    HE   ARG   9           HE       ARG   9 -12.970   6.212   1.167
   75   HH11  ARG   9          1HH1      ARG   9 -13.438   7.440  -2.138
   76   HH12  ARG   9          2HH1      ARG   9 -12.709   8.943  -1.784
   77   HH21  ARG   9          1HH2      ARG   9 -11.981   8.298   1.592
   78   HH22  ARG   9          2HH2      ARG   9 -11.903   9.436   0.327
   79    H    GLY  10           H        GLY  10 -10.800   0.376   1.870
   80    HA2  GLY  10           2HA      GLY  10 -11.829  -1.680   1.716
   81    HA3  GLY  10           1HA      GLY  10 -12.797  -0.996   0.424
   82    H    VAL  11           H        VAL  11 -10.373  -0.021  -1.045
   83    HA   VAL  11           HA       VAL  11  -9.960  -2.520  -2.446
   84    HB   VAL  11           HB       VAL  11  -8.974   0.257  -3.175
   85   HG11  VAL  11          1HG1      VAL  11  -7.727  -1.523  -4.290
   86   HG12  VAL  11          2HG1      VAL  11  -8.736  -0.641  -5.438
   87   HG13  VAL  11          3HG1      VAL  11  -9.237  -2.230  -4.869
   88   HG21  VAL  11          3HG2      VAL  11 -10.871   0.318  -4.741
   89   HG22  VAL  11          1HG2      VAL  11 -11.399   0.232  -3.060
   90   HG23  VAL  11          2HG2      VAL  11 -11.447  -1.208  -4.078
   91    H    ABA  12           H        ABU  12  -8.154  -3.690  -2.410
   92    HA   ABA  12           HA       ABU  12  -6.048  -2.875  -0.589
   93    HB3  ABA  12           1HB      ABU  12  -6.396  -5.446  -2.160
   94    HB2  ABA  12           2HB      ABU  12  -6.946  -5.193  -0.511
   95    HG1  ABA  12           1HG      ABU  12  -4.640  -4.906   0.229
   96    HG3  ABA  12           3HG      ABU  12  -4.872  -6.464  -0.565
   97    HG2  ABA  12           2HG      ABU  12  -4.078  -5.142  -1.424
   98    H    ARG  13           H        ARG  13  -4.611  -1.518  -1.421
   99    HA   ARG  13           HA       ARG  13  -3.812  -1.826  -4.227
  100    HB2  ARG  13           2HB      ARG  13  -3.466   0.517  -2.358
  101    HB3  ARG  13           1HB      ARG  13  -2.976   0.471  -4.044
  102    HG2  ARG  13           2HG      ARG  13  -5.798   0.291  -3.010
  103    HG3  ARG  13           1HG      ARG  13  -5.052   1.700  -3.768
  104    HD2  ARG  13           2HD      ARG  13  -5.513  -0.980  -5.065
  105    HD3  ARG  13           1HD      ARG  13  -6.467   0.460  -5.346
  106    HE   ARG  13           HE       ARG  13  -3.620   0.184  -6.043
  107   HH11  ARG  13          1HH1      ARG  13  -6.798   1.568  -6.674
  108   HH12  ARG  13          2HH1      ARG  13  -6.437   2.161  -8.216
  109   HH21  ARG  13          1HH2      ARG  13  -3.045   0.983  -8.132
  110   HH22  ARG  13          2HH2      ARG  13  -4.196   1.829  -9.078
  111    H    CYS  14           H        CYS  14  -2.057  -3.028  -4.414
  112    HA   CYS  14           HA       CYS  14   0.050  -2.780  -2.403
  113    HB2  CYS  14           2HB      CYS  14  -0.230  -4.775  -4.653
  114    HB3  CYS  14           1HB      CYS  14   0.995  -4.769  -3.384
  115    H    VAL  15           H        VAL  15   1.516  -1.451  -2.726
  116    HA   VAL  15           HA       VAL  15   2.351  -0.776  -5.471
  117    HB   VAL  15           HB       VAL  15   2.187   1.183  -3.174
  118   HG11  VAL  15          1HG1      VAL  15   2.535   2.901  -4.873
  119   HG12  VAL  15          2HG1      VAL  15   2.673   1.646  -6.103
  120   HG13  VAL  15          3HG1      VAL  15   3.870   1.748  -4.808
  121   HG21  VAL  15          3HG2      VAL  15  -0.086   0.561  -3.816
  122   HG22  VAL  15          1HG2      VAL  15   0.283   0.930  -5.498
  123   HG23  VAL  15          2HG2      VAL  15   0.260   2.224  -4.303
  124    H    ABA  16           H        ABU  16   4.540  -0.703  -5.700
  125    HA   ABA  16           HA       ABU  16   6.100  -1.449  -3.392
  126    HB3  ABA  16           1HB      ABU  16   6.531  -2.752  -5.370
  127    HB2  ABA  16           2HB      ABU  16   7.959  -1.804  -4.996
  128    HG1  ABA  16           1HG      ABU  16   7.380  -0.217  -6.767
  129    HG3  ABA  16           3HG      ABU  16   7.582  -1.856  -7.383
  130    HG2  ABA  16           2HG      ABU  16   5.966  -1.188  -7.167
  131    H    ARG  17           H        ARG  17   7.010  -0.066  -2.181
  132    HA   ARG  17           HA       ARG  17   7.750   2.545  -3.294
  133    HB2  ARG  17           2HB      ARG  17   6.957   1.889  -0.442
  134    HB3  ARG  17           1HB      ARG  17   7.389   3.477  -1.055
  135    HG2  ARG  17           2HG      ARG  17   4.986   1.869  -1.919
  136    HG3  ARG  17           1HG      ARG  17   4.966   3.198  -0.763
  137    HD2  ARG  17           2HD      ARG  17   5.869   3.462  -3.638
  138    HD3  ARG  17           1HD      ARG  17   4.239   3.809  -3.081
  139    HE   ARG  17           HE       ARG  17   6.121   5.264  -1.559
  140   HH11  ARG  17          1HH1      ARG  17   4.775   5.244  -4.865
  141   HH12  ARG  17          2HH1      ARG  17   4.810   6.939  -5.016
  142   HH21  ARG  17          1HH2      ARG  17   6.157   7.627  -1.834
  143   HH22  ARG  17          2HH2      ARG  17   5.599   8.306  -3.284
  144    H    ARG  18           H        ARG  18   9.807   2.303  -3.735
  145    HA   ARG  18           HA       ARG  18  11.984   1.934  -3.612
  146    HB2  ARG  18           2HB      ARG  18  11.838   3.725  -1.912
  147    HB3  ARG  18           1HB      ARG  18  11.555   2.532  -0.662
  148    HG2  ARG  18           2HG      ARG  18  13.862   3.492  -0.706
  149    HG3  ARG  18           1HG      ARG  18  13.804   1.732  -0.814
  150    HD2  ARG  18           2HD      ARG  18  15.443   2.678  -2.355
  151    HD3  ARG  18           1HD      ARG  18  14.148   1.862  -3.221
  152    HE   ARG  18           HE       ARG  18  13.797   4.703  -2.874
  153   HH11  ARG  18          1HH1      ARG  18  15.012   2.143  -5.019
  154   HH12  ARG  18          2HH1      ARG  18  15.070   3.138  -6.395
  155   HH21  ARG  18          1HH2      ARG  18  13.848   6.043  -4.777
  156   HH22  ARG  18          2HH2      ARG  18  14.393   5.403  -6.258
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  10.597  -1.200  -4.255
    2    HA2  GLY   1           2HA      GLY   1  10.809  -3.489  -4.236
    3    HA3  GLY   1           1HA      GLY   1  11.996  -3.283  -2.956
    4    H    VAL   2           H        VAL   2  10.122  -1.514  -1.407
    5    HA   VAL   2           HA       VAL   2   8.885  -3.700  -0.021
    6    HB   VAL   2           HB       VAL   2   8.978  -0.748   0.687
    7   HG11  VAL   2          1HG1      VAL   2   8.192  -1.428   2.916
    8   HG12  VAL   2          2HG1      VAL   2   8.028  -3.090   2.355
    9   HG13  VAL   2          3HG1      VAL   2   7.001  -1.826   1.677
   10   HG21  VAL   2          3HG2      VAL   2  11.150  -1.838   0.750
   11   HG22  VAL   2          1HG2      VAL   2  10.493  -3.115   1.771
   12   HG23  VAL   2          2HG2      VAL   2  10.594  -1.466   2.385
   13    H    ABA   3           H        ABU   3   7.103  -4.416  -0.747
   14    HA   ABA   3           HA       ABU   3   5.213  -2.808  -2.191
   15    HB3  ABA   3           1HB      ABU   3   5.073  -5.701  -1.297
   16    HB2  ABA   3           2HB      ABU   3   5.730  -5.153  -2.830
   17    HG1  ABA   3           1HG      ABU   3   2.875  -4.866  -1.941
   18    HG3  ABA   3           3HG      ABU   3   3.538  -4.303  -3.475
   19    HG2  ABA   3           2HG      ABU   3   3.495  -6.030  -3.114
   20    H    ARG   4           H        ARG   4   4.414  -1.349  -0.766
   21    HA   ARG   4           HA       ARG   4   3.249  -2.235   1.742
   22    HB2  ARG   4           2HB      ARG   4   4.513  -0.107   1.698
   23    HB3  ARG   4           1HB      ARG   4   3.386   0.533   0.512
   24    HG2  ARG   4           2HG      ARG   4   2.842   1.427   2.688
   25    HG3  ARG   4           1HG      ARG   4   1.560   0.324   2.181
   26    HD2  ARG   4           2HD      ARG   4   2.627  -1.457   3.551
   27    HD3  ARG   4           1HD      ARG   4   3.797  -0.264   4.111
   28    HE   ARG   4           HE       ARG   4   0.949   0.233   4.549
   29   HH11  ARG   4          1HH1      ARG   4   4.105  -0.554   5.906
   30   HH12  ARG   4          2HH1      ARG   4   3.614  -0.374   7.525
   31   HH21  ARG   4          1HH2      ARG   4   0.282   0.487   6.746
   32   HH22  ARG   4          2HH2      ARG   4   1.401   0.245   8.020
   33    H    CYS   5           H        CYS   5   1.211  -2.953   1.755
   34    HA   CYS   5           HA       CYS   5  -0.560  -2.048  -0.371
   35    HB2  CYS   5           2HB      CYS   5  -0.812  -4.442   1.443
   36    HB3  CYS   5           1HB      CYS   5  -1.887  -4.013   0.115
   37    H    VAL   6           H        VAL   6  -1.899  -0.607   0.054
   38    HA   VAL   6           HA       VAL   6  -2.851  -0.194   2.814
   39    HB   VAL   6           HB       VAL   6  -2.879   1.784   0.529
   40   HG11  VAL   6          1HG1      VAL   6  -3.281   3.478   2.255
   41   HG12  VAL   6          2HG1      VAL   6  -3.301   2.213   3.477
   42   HG13  VAL   6          3HG1      VAL   6  -4.545   2.247   2.228
   43   HG21  VAL   6          3HG2      VAL   6  -0.980   2.931   1.609
   44   HG22  VAL   6          1HG2      VAL   6  -0.555   1.305   1.076
   45   HG23  VAL   6          2HG2      VAL   6  -0.874   1.618   2.782
   46    H    ABA   7           H        ABU   7  -4.996  -0.341   3.095
   47    HA   ABA   7           HA       ABU   7  -6.563  -1.153   0.775
   48    HB3  ABA   7           1HB      ABU   7  -8.174  -2.049   2.444
   49    HB2  ABA   7           2HB      ABU   7  -7.089  -1.534   3.725
   50    HG1  ABA   7           1HG      ABU   7  -6.848  -3.907   3.289
   51    HG3  ABA   7           3HG      ABU   7  -6.451  -3.570   1.605
   52    HG2  ABA   7           2HG      ABU   7  -5.364  -3.042   2.887
   53    H    ARG   8           H        ARG   8  -7.137   0.734  -0.087
   54    HA   ARG   8           HA       ARG   8  -8.464   2.685   1.621
   55    HB2  ARG   8           2HB      ARG   8  -8.393   4.208  -0.345
   56    HB3  ARG   8           1HB      ARG   8  -6.795   3.636   0.106
   57    HG2  ARG   8           2HG      ARG   8  -6.822   2.063  -1.760
   58    HG3  ARG   8           1HG      ARG   8  -8.458   2.573  -2.175
   59    HD2  ARG   8           2HD      ARG   8  -5.942   4.239  -2.275
   60    HD3  ARG   8           1HD      ARG   8  -6.909   3.691  -3.642
   61    HE   ARG   8           HE       ARG   8  -7.414   5.901  -1.882
   62   HH11  ARG   8          1HH1      ARG   8  -8.862   3.760  -4.302
   63   HH12  ARG   8          2HH1      ARG   8 -10.132   4.817  -4.698
   64   HH21  ARG   8          1HH2      ARG   8  -9.161   7.372  -2.442
   65   HH22  ARG   8          2HH2      ARG   8 -10.299   6.917  -3.611
   66    H    ARG   9           H        ARG   9 -10.537   2.414   1.943
   67    HA   ARG   9           HA       ARG   9 -12.679   1.759   1.747
   68    HB2  ARG   9           2HB      ARG   9 -12.625   3.570  -0.008
   69    HB3  ARG   9           1HB      ARG   9 -12.250   2.355  -1.212
   70    HG2  ARG   9           2HG      ARG   9 -14.597   3.030  -1.320
   71    HG3  ARG   9           1HG      ARG   9 -14.447   1.330  -0.877
   72    HD2  ARG   9           2HD      ARG   9 -16.148   2.457   0.472
   73    HD3  ARG   9           1HD      ARG   9 -14.802   1.900   1.464
   74    HE   ARG   9           HE       ARG   9 -14.687   4.639   0.532
   75   HH11  ARG   9          1HH1      ARG   9 -15.515   2.473   3.213
   76   HH12  ARG   9          2HH1      ARG   9 -15.391   3.677   4.403
   77   HH21  ARG   9          1HH2      ARG   9 -14.569   6.290   2.157
   78   HH22  ARG   9          2HH2      ARG   9 -14.850   5.895   3.795
   79    H    GLY  10           H        GLY  10 -10.932  -0.264   1.925
   80    HA2  GLY  10           2HA      GLY  10 -10.955  -2.532   1.863
   81    HA3  GLY  10           1HA      GLY  10 -12.339  -2.400   0.785
   82    H    VAL  11           H        VAL  11 -10.398  -0.578  -0.895
   83    HA   VAL  11           HA       VAL  11  -9.604  -2.724  -2.639
   84    HB   VAL  11           HB       VAL  11  -9.169   0.268  -2.933
   85   HG11  VAL  11          1HG1      VAL  11  -8.991  -1.954  -4.960
   86   HG12  VAL  11          2HG1      VAL  11  -7.649  -0.986  -4.343
   87   HG13  VAL  11          3HG1      VAL  11  -8.902  -0.237  -5.335
   88   HG21  VAL  11          3HG2      VAL  11 -11.362  -1.481  -4.045
   89   HG22  VAL  11          1HG2      VAL  11 -11.114   0.218  -4.445
   90   HG23  VAL  11          2HG2      VAL  11 -11.542  -0.252  -2.798
   91    H    ABA  12           H        ABU  12  -7.695  -3.638  -2.642
   92    HA   ABA  12           HA       ABU  12  -5.674  -2.691  -0.820
   93    HB3  ABA  12           1HB      ABU  12  -5.753  -5.150  -2.576
   94    HB2  ABA  12           2HB      ABU  12  -6.250  -5.080  -0.892
   95    HG1  ABA  12           1HG      ABU  12  -3.462  -4.562  -1.891
   96    HG3  ABA  12           3HG      ABU  12  -3.991  -4.569  -0.208
   97    HG2  ABA  12           2HG      ABU  12  -4.031  -6.058  -1.154
   98    H    ARG  13           H        ARG  13  -4.607  -1.046  -1.593
   99    HA   ARG  13           HA       ARG  13  -3.568  -1.103  -4.320
  100    HB2  ARG  13           2HB      ARG  13  -4.704   0.948  -3.590
  101    HB3  ARG  13           1HB      ARG  13  -3.592   1.087  -2.235
  102    HG2  ARG  13           2HG      ARG  13  -1.726   1.308  -3.820
  103    HG3  ARG  13           1HG      ARG  13  -2.873   1.252  -5.152
  104    HD2  ARG  13           2HD      ARG  13  -3.989   3.248  -4.222
  105    HD3  ARG  13           1HD      ARG  13  -2.764   3.301  -2.953
  106    HE   ARG  13           HE       ARG  13  -1.751   3.291  -5.642
  107   HH11  ARG  13          1HH1      ARG  13  -2.540   5.224  -2.803
  108   HH12  ARG  13          2HH1      ARG  13  -1.894   6.667  -3.418
  109   HH21  ARG  13          1HH2      ARG  13  -0.752   5.237  -6.454
  110   HH22  ARG  13          2HH2      ARG  13  -0.860   6.688  -5.558
  111    H    CYS  14           H        CYS  14  -1.717  -2.181  -4.402
  112    HA   CYS  14           HA       CYS  14   0.170  -1.896  -2.199
  113    HB2  CYS  14           2HB      CYS  14   0.187  -3.840  -4.506
  114    HB3  CYS  14           1HB      CYS  14   1.334  -3.811  -3.176
  115    H    VAL  15           H        VAL  15   1.707  -0.572  -2.329
  116    HA   VAL  15           HA       VAL  15   2.623   0.367  -4.954
  117    HB   VAL  15           HB       VAL  15   3.008   1.700  -2.290
  118   HG11  VAL  15          1HG1      VAL  15   3.371   2.736  -5.085
  119   HG12  VAL  15          2HG1      VAL  15   4.639   2.374  -3.913
  120   HG13  VAL  15          3HG1      VAL  15   3.519   3.710  -3.623
  121   HG21  VAL  15          3HG2      VAL  15   0.614   1.658  -2.734
  122   HG22  VAL  15          1HG2      VAL  15   0.880   2.331  -4.341
  123   HG23  VAL  15          2HG2      VAL  15   1.222   3.299  -2.903
  124    H    ABA  16           H        ABU  16   4.622  -0.122  -5.424
  125    HA   ABA  16           HA       ABU  16   6.249  -1.532  -3.452
  126    HB3  ABA  16           1HB      ABU  16   7.663  -2.170  -5.395
  127    HB2  ABA  16           2HB      ABU  16   6.570  -1.279  -6.446
  128    HG1  ABA  16           1HG      ABU  16   6.093  -3.654  -6.517
  129    HG3  ABA  16           3HG      ABU  16   5.836  -3.671  -4.773
  130    HG2  ABA  16           2HG      ABU  16   4.739  -2.767  -5.815
  131    H    ARG  17           H        ARG  17   6.979   0.096  -2.236
  132    HA   ARG  17           HA       ARG  17   8.447   2.303  -3.455
  133    HB2  ARG  17           2HB      ARG  17   6.887   2.797  -1.631
  134    HB3  ARG  17           1HB      ARG  17   7.758   1.702  -0.573
  135    HG2  ARG  17           2HG      ARG  17   9.738   3.164  -0.729
  136    HG3  ARG  17           1HG      ARG  17   8.816   4.274  -1.743
  137    HD2  ARG  17           2HD      ARG  17   7.205   4.593   0.056
  138    HD3  ARG  17           1HD      ARG  17   8.102   3.465   1.067
  139    HE   ARG  17           HE       ARG  17   9.941   5.318   0.415
  140   HH11  ARG  17          1HH1      ARG  17   6.714   5.476   1.856
  141   HH12  ARG  17          2HH1      ARG  17   7.019   6.905   2.736
  142   HH21  ARG  17          1HH2      ARG  17  10.384   7.290   1.706
  143   HH22  ARG  17          2HH2      ARG  17   9.136   7.935   2.658
  144    H    ARG  18           H        ARG  18  10.309   1.490  -4.191
  145    HA   ARG  18           HA       ARG  18  12.399   0.703  -4.279
  146    HB2  ARG  18           2HB      ARG  18  12.690   2.513  -2.503
  147    HB3  ARG  18           1HB      ARG  18  12.548   1.251  -1.289
  148    HG2  ARG  18           2HG      ARG  18  14.559   0.160  -2.197
  149    HG3  ARG  18           1HG      ARG  18  14.696   1.434  -3.404
  150    HD2  ARG  18           2HD      ARG  18  16.224   1.881  -1.589
  151    HD3  ARG  18           1HD      ARG  18  14.942   3.088  -1.575
  152    HE   ARG  18           HE       ARG  18  14.409   0.848   0.120
  153   HH11  ARG  18          1HH1      ARG  18  16.040   4.003  -0.006
  154   HH12  ARG  18          2HH1      ARG  18  16.078   4.193   1.680
  155   HH21  ARG  18          1HH2      ARG  18  14.469   1.155   2.438
  156   HH22  ARG  18          2HH2      ARG  18  15.171   2.569   3.089
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  10.901  -1.477  -4.052
    2    HA2  GLY   1           2HA      GLY   1  11.000  -3.715  -3.706
    3    HA3  GLY   1           1HA      GLY   1  12.077  -3.389  -2.355
    4    H    VAL   2           H        VAL   2  10.127  -1.474  -1.145
    5    HA   VAL   2           HA       VAL   2   8.771  -3.464   0.423
    6    HB   VAL   2           HB       VAL   2   8.643  -0.447   0.650
    7   HG11  VAL   2          1HG1      VAL   2   7.884  -0.826   2.942
    8   HG12  VAL   2          2HG1      VAL   2   7.938  -2.566   2.681
    9   HG13  VAL   2          3HG1      VAL   2   6.784  -1.584   1.787
   10   HG21  VAL   2          3HG2      VAL   2  10.420  -2.405   2.106
   11   HG22  VAL   2          1HG2      VAL   2  10.309  -0.677   2.442
   12   HG23  VAL   2          2HG2      VAL   2  10.934  -1.237   0.889
   13    H    ABA   3           H        ABU   3   6.979  -4.310  -0.313
   14    HA   ABA   3           HA       ABU   3   5.209  -2.876  -2.076
   15    HB3  ABA   3           1HB      ABU   3   4.942  -5.638  -0.855
   16    HB2  ABA   3           2HB      ABU   3   5.705  -5.294  -2.403
   17    HG1  ABA   3           1HG      ABU   3   3.460  -6.144  -2.716
   18    HG3  ABA   3           3HG      ABU   3   2.810  -4.832  -1.732
   19    HG2  ABA   3           2HG      ABU   3   3.584  -4.476  -3.277
   20    H    ARG   4           H        ARG   4   4.243  -1.292  -0.992
   21    HA   ARG   4           HA       ARG   4   3.006  -1.755   1.597
   22    HB2  ARG   4           2HB      ARG   4   3.350   0.670  -0.140
   23    HB3  ARG   4           1HB      ARG   4   2.349   0.684   1.305
   24    HG2  ARG   4           2HG      ARG   4   5.259  -0.032   1.273
   25    HG3  ARG   4           1HG      ARG   4   4.626   1.579   1.625
   26    HD2  ARG   4           2HD      ARG   4   3.331   0.647   3.492
   27    HD3  ARG   4           1HD      ARG   4   4.002  -0.951   3.162
   28    HE   ARG   4           HE       ARG   4   6.117   0.797   3.491
   29   HH11  ARG   4          1HH1      ARG   4   3.432  -0.317   5.501
   30   HH12  ARG   4          2HH1      ARG   4   4.346  -0.305   6.944
   31   HH21  ARG   4          1HH2      ARG   4   7.327   0.863   5.433
   32   HH22  ARG   4          2HH2      ARG   4   6.635   0.389   6.901
   33    H    CYS   5           H        CYS   5   1.156  -2.837   1.454
   34    HA   CYS   5           HA       CYS   5  -0.704  -2.123  -0.663
   35    HB2  CYS   5           2HB      CYS   5  -0.826  -4.354   1.345
   36    HB3  CYS   5           1HB      CYS   5  -1.960  -4.016   0.032
   37    H    VAL   6           H        VAL   6  -1.854  -0.587  -0.299
   38    HA   VAL   6           HA       VAL   6  -2.706   0.020   2.435
   39    HB   VAL   6           HB       VAL   6  -2.992   1.767  -0.002
   40   HG11  VAL   6          1HG1      VAL   6  -3.271   3.606   1.608
   41   HG12  VAL   6          2HG1      VAL   6  -3.165   2.445   2.931
   42   HG13  VAL   6          3HG1      VAL   6  -4.507   2.361   1.788
   43   HG21  VAL   6          3HG2      VAL   6  -1.030   3.043   0.798
   44   HG22  VAL   6          1HG2      VAL   6  -0.612   1.385   0.359
   45   HG23  VAL   6          2HG2      VAL   6  -0.779   1.831   2.057
   46    H    ABA   7           H        ABU   7  -4.705  -0.259   2.927
   47    HA   ABA   7           HA       ABU   7  -6.555  -1.272   0.916
   48    HB3  ABA   7           1HB      ABU   7  -7.945  -1.938   2.873
   49    HB2  ABA   7           2HB      ABU   7  -6.724  -1.250   3.934
   50    HG1  ABA   7           1HG      ABU   7  -6.428  -3.625   3.843
   51    HG3  ABA   7           3HG      ABU   7  -6.401  -3.585   2.084
   52    HG2  ABA   7           2HG      ABU   7  -5.081  -2.857   2.993
   53    H    ARG   8           H        ARG   8  -7.101   0.602  -0.090
   54    HA   ARG   8           HA       ARG   8  -8.223   2.793   1.437
   55    HB2  ARG   8           2HB      ARG   8  -7.795   2.362  -1.526
   56    HB3  ARG   8           1HB      ARG   8  -8.529   3.805  -0.849
   57    HG2  ARG   8           2HG      ARG   8  -6.460   4.306   0.353
   58    HG3  ARG   8           1HG      ARG   8  -5.735   2.828  -0.279
   59    HD2  ARG   8           2HD      ARG   8  -5.839   3.637  -2.505
   60    HD3  ARG   8           1HD      ARG   8  -6.800   5.037  -2.022
   61    HE   ARG   8           HE       ARG   8  -4.652   5.466  -0.600
   62   HH11  ARG   8          1HH1      ARG   8  -4.824   4.342  -3.951
   63   HH12  ARG   8          2HH1      ARG   8  -3.426   5.148  -4.472
   64   HH21  ARG   8          1HH2      ARG   8  -2.679   6.631  -1.314
   65   HH22  ARG   8          2HH2      ARG   8  -2.189   6.492  -2.928
   66    H    ARG   9           H        ARG   9 -10.067   2.142   2.278
   67    HA   ARG   9           HA       ARG   9 -12.129   1.336   2.572
   68    HB2  ARG   9           2HB      ARG   9 -12.626   3.404   1.250
   69    HB3  ARG   9           1HB      ARG   9 -12.614   2.438  -0.216
   70    HG2  ARG   9           2HG      ARG   9 -14.521   1.142   0.615
   71    HG3  ARG   9           1HG      ARG   9 -14.529   2.105   2.089
   72    HD2  ARG   9           2HD      ARG   9 -14.980   3.158  -0.703
   73    HD3  ARG   9           1HD      ARG   9 -16.234   2.847   0.498
   74    HE   ARG   9           HE       ARG   9 -14.147   4.658   1.330
   75   HH11  ARG   9          1HH1      ARG   9 -17.373   4.385  -0.110
   76   HH12  ARG   9          2HH1      ARG   9 -17.777   6.006   0.214
   77   HH21  ARG   9          1HH2      ARG   9 -14.711   6.835   1.750
   78   HH22  ARG   9          2HH2      ARG   9 -16.246   7.433   1.274
   79    H    GLY  10           H        GLY  10 -10.764  -0.688   2.295
   80    HA2  GLY  10           2HA      GLY  10 -10.929  -2.895   1.927
   81    HA3  GLY  10           1HA      GLY  10 -12.367  -2.551   0.984
   82    H    VAL  11           H        VAL  11 -10.374  -0.662  -0.607
   83    HA   VAL  11           HA       VAL  11  -9.700  -2.751  -2.498
   84    HB   VAL  11           HB       VAL  11  -9.570   0.255  -2.826
   85   HG11  VAL  11          1HG1      VAL  11  -8.041  -0.910  -4.332
   86   HG12  VAL  11          2HG1      VAL  11  -9.393  -0.237  -5.237
   87   HG13  VAL  11          3HG1      VAL  11  -9.347  -1.962  -4.869
   88   HG21  VAL  11          3HG2      VAL  11 -11.628   0.028  -4.121
   89   HG22  VAL  11          1HG2      VAL  11 -11.856  -0.559  -2.476
   90   HG23  VAL  11          2HG2      VAL  11 -11.654  -1.706  -3.802
   91    H    ABA  12           H        ABU  12  -7.728  -3.604  -2.462
   92    HA   ABA  12           HA       ABU  12  -5.654  -2.395  -0.991
   93    HB3  ABA  12           1HB      ABU  12  -4.467  -4.440  -1.749
   94    HB2  ABA  12           2HB      ABU  12  -5.921  -4.897  -2.614
   95    HG1  ABA  12           1HG      ABU  12  -5.803  -6.046  -0.490
   96    HG3  ABA  12           3HG      ABU  12  -5.686  -4.506   0.356
   97    HG2  ABA  12           2HG      ABU  12  -7.167  -4.928  -0.513
   98    H    ARG  13           H        ARG  13  -4.336  -1.010  -1.782
   99    HA   ARG  13           HA       ARG  13  -3.540  -1.155  -4.605
  100    HB2  ARG  13           2HB      ARG  13  -4.732   0.926  -4.093
  101    HB3  ARG  13           1HB      ARG  13  -3.687   1.212  -2.721
  102    HG2  ARG  13           2HG      ARG  13  -3.126   2.681  -4.578
  103    HG3  ARG  13           1HG      ARG  13  -1.795   1.591  -4.221
  104    HD2  ARG  13           2HD      ARG  13  -3.791   0.925  -6.361
  105    HD3  ARG  13           1HD      ARG  13  -2.475   2.050  -6.686
  106    HE   ARG  13           HE       ARG  13  -1.129  -0.030  -5.736
  107   HH11  ARG  13          1HH1      ARG  13  -3.792  -0.047  -8.077
  108   HH12  ARG  13          2HH1      ARG  13  -3.148  -1.302  -9.007
  109   HH21  ARG  13          1HH2      ARG  13  -0.221  -1.763  -7.044
  110   HH22  ARG  13          2HH2      ARG  13  -1.076  -2.312  -8.402
  111    H    CYS  14           H        CYS  14  -1.734  -2.309  -4.514
  112    HA   CYS  14           HA       CYS  14   0.182  -1.835  -2.369
  113    HB2  CYS  14           2HB      CYS  14   0.251  -3.890  -4.583
  114    HB3  CYS  14           1HB      CYS  14   1.316  -3.815  -3.188
  115    H    VAL  15           H        VAL  15   1.658  -0.502  -2.535
  116    HA   VAL  15           HA       VAL  15   2.654   0.290  -5.180
  117    HB   VAL  15           HB       VAL  15   2.981   1.758  -2.599
  118   HG11  VAL  15          1HG1      VAL  15   4.578   2.378  -4.291
  119   HG12  VAL  15          2HG1      VAL  15   3.476   3.715  -3.979
  120   HG13  VAL  15          3HG1      VAL  15   3.274   2.734  -5.426
  121   HG21  VAL  15          3HG2      VAL  15   0.808   2.235  -4.646
  122   HG22  VAL  15          1HG2      VAL  15   1.151   3.301  -3.283
  123   HG23  VAL  15          2HG2      VAL  15   0.585   1.655  -2.995
  124    H    ABA  16           H        ABU  16   4.561  -0.477  -5.526
  125    HA   ABA  16           HA       ABU  16   6.199  -1.564  -3.377
  126    HB3  ABA  16           1HB      ABU  16   7.621  -2.457  -5.207
  127    HB2  ABA  16           2HB      ABU  16   6.545  -1.701  -6.376
  128    HG1  ABA  16           1HG      ABU  16   5.780  -3.848  -4.415
  129    HG3  ABA  16           3HG      ABU  16   4.698  -3.085  -5.579
  130    HG2  ABA  16           2HG      ABU  16   6.054  -4.063  -6.142
  131    H    ARG  17           H        ARG  17   7.103   0.054  -2.345
  132    HA   ARG  17           HA       ARG  17   8.574   2.097  -3.850
  133    HB2  ARG  17           2HB      ARG  17   7.793   2.013  -0.941
  134    HB3  ARG  17           1HB      ARG  17   8.640   3.333  -1.723
  135    HG2  ARG  17           2HG      ARG  17   6.668   3.706  -3.154
  136    HG3  ARG  17           1HG      ARG  17   5.828   2.423  -2.270
  137    HD2  ARG  17           2HD      ARG  17   5.216   4.599  -1.376
  138    HD3  ARG  17           1HD      ARG  17   6.136   3.676  -0.188
  139    HE   ARG  17           HE       ARG  17   7.709   5.431  -1.838
  140   HH11  ARG  17          1HH1      ARG  17   6.016   5.099   1.247
  141   HH12  ARG  17          2HH1      ARG  17   6.772   6.413   1.984
  142   HH21  ARG  17          1HH2      ARG  17   8.767   7.221  -0.851
  143   HH22  ARG  17          2HH2      ARG  17   8.419   7.649   0.765
  144    H    ARG  18           H        ARG  18  10.548   1.394  -4.234
  145    HA   ARG  18           HA       ARG  18  12.560   0.413  -4.070
  146    HB2  ARG  18           2HB      ARG  18  12.914   2.449  -2.724
  147    HB3  ARG  18           1HB      ARG  18  12.385   1.600  -1.282
  148    HG2  ARG  18           2HG      ARG  18  14.335   0.131  -1.431
  149    HG3  ARG  18           1HG      ARG  18  14.858   0.973  -2.889
  150    HD2  ARG  18           2HD      ARG  18  15.197   2.999  -1.698
  151    HD3  ARG  18           1HD      ARG  18  14.382   2.359  -0.276
  152    HE   ARG  18           HE       ARG  18  16.272   0.852   0.012
  153   HH11  ARG  18          1HH1      ARG  18  16.853   3.573  -2.182
  154   HH12  ARG  18          2HH1      ARG  18  18.477   3.765  -1.720
  155   HH21  ARG  18          1HH2      ARG  18  18.479   1.138   0.649
  156   HH22  ARG  18          2HH2      ARG  18  19.421   2.363  -0.077
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  11.043  -0.725  -3.994
    2    HA2  GLY   1           2HA      GLY   1  11.358  -2.983  -4.154
    3    HA3  GLY   1           1HA      GLY   1  12.605  -2.814  -2.928
    4    H    VAL   2           H        VAL   2  10.227  -1.319  -1.447
    5    HA   VAL   2           HA       VAL   2   9.315  -3.734  -0.095
    6    HB   VAL   2           HB       VAL   2   9.042  -0.831   0.742
    7   HG11  VAL   2          1HG1      VAL   2   7.343  -2.273   1.756
    8   HG12  VAL   2          2HG1      VAL   2   8.506  -1.716   2.961
    9   HG13  VAL   2          3HG1      VAL   2   8.609  -3.357   2.333
   10   HG21  VAL   2          3HG2      VAL   2  11.032  -2.900   1.670
   11   HG22  VAL   2          1HG2      VAL   2  10.865  -1.269   2.315
   12   HG23  VAL   2          2HG2      VAL   2  11.387  -1.506   0.649
   13    H    ABA   3           H        ABU   3   7.382  -4.478  -0.610
   14    HA   ABA   3           HA       ABU   3   5.568  -2.840  -2.157
   15    HB3  ABA   3           1HB      ABU   3   5.269  -5.716  -1.240
   16    HB2  ABA   3           2HB      ABU   3   5.967  -5.219  -2.780
   17    HG1  ABA   3           1HG      ABU   3   3.668  -5.958  -3.057
   18    HG3  ABA   3           3HG      ABU   3   3.124  -4.743  -1.900
   19    HG2  ABA   3           2HG      ABU   3   3.825  -4.245  -3.438
   20    H    ARG   4           H        ARG   4   4.140  -1.636  -1.243
   21    HA   ARG   4           HA       ARG   4   3.239  -2.233   1.484
   22    HB2  ARG   4           2HB      ARG   4   3.544   0.376   0.003
   23    HB3  ARG   4           1HB      ARG   4   2.694   0.229   1.531
   24    HG2  ARG   4           2HG      ARG   4   5.579  -0.536   1.142
   25    HG3  ARG   4           1HG      ARG   4   5.038   1.046   1.724
   26    HD2  ARG   4           2HD      ARG   4   4.447  -1.612   3.047
   27    HD3  ARG   4           1HD      ARG   4   5.667  -0.453   3.575
   28    HE   ARG   4           HE       ARG   4   3.842   1.133   3.930
   29   HH11  ARG   4          1HH1      ARG   4   3.093  -2.349   4.052
   30   HH12  ARG   4          2HH1      ARG   4   1.649  -2.122   4.930
   31   HH21  ARG   4          1HH2      ARG   4   1.871   1.394   5.171
   32   HH22  ARG   4          2HH2      ARG   4   0.949   0.024   5.584
   33    H    CYS   5           H        CYS   5   1.268  -3.033   1.531
   34    HA   CYS   5           HA       CYS   5  -0.657  -2.237  -0.516
   35    HB2  CYS   5           2HB      CYS   5  -0.771  -4.511   1.473
   36    HB3  CYS   5           1HB      CYS   5  -1.924  -4.190   0.184
   37    H    VAL   6           H        VAL   6  -2.102  -0.805   0.014
   38    HA   VAL   6           HA       VAL   6  -2.792  -0.434   2.857
   39    HB   VAL   6           HB       VAL   6  -2.878   1.676   0.687
   40   HG11  VAL   6          1HG1      VAL   6  -3.179   3.274   2.493
   41   HG12  VAL   6          2HG1      VAL   6  -3.125   1.963   3.672
   42   HG13  VAL   6          3HG1      VAL   6  -4.454   2.049   2.514
   43   HG21  VAL   6          3HG2      VAL   6  -0.902   2.704   1.767
   44   HG22  VAL   6          1HG2      VAL   6  -0.554   1.108   1.099
   45   HG23  VAL   6          2HG2      VAL   6  -0.790   1.300   2.833
   46    H    ABA   7           H        ABU   7  -4.936  -0.433   3.296
   47    HA   ABA   7           HA       ABU   7  -6.688  -1.172   1.076
   48    HB3  ABA   7           1HB      ABU   7  -7.202  -1.424   4.046
   49    HB2  ABA   7           2HB      ABU   7  -6.545  -2.713   3.046
   50    HG1  ABA   7           1HG      ABU   7  -8.596  -2.734   1.722
   51    HG3  ABA   7           3HG      ABU   7  -8.920  -3.027   3.433
   52    HG2  ABA   7           2HG      ABU   7  -9.257  -1.446   2.722
   53    H    ARG   8           H        ARG   8  -7.320   0.623   0.186
   54    HA   ARG   8           HA       ARG   8  -8.364   2.773   1.874
   55    HB2  ARG   8           2HB      ARG   8  -7.457   2.781  -1.007
   56    HB3  ARG   8           1HB      ARG   8  -8.131   4.176  -0.175
   57    HG2  ARG   8           2HG      ARG   8  -6.274   4.193   1.383
   58    HG3  ARG   8           1HG      ARG   8  -5.631   2.718   0.665
   59    HD2  ARG   8           2HD      ARG   8  -4.416   4.666  -0.124
   60    HD3  ARG   8           1HD      ARG   8  -5.280   3.883  -1.439
   61    HE   ARG   8           HE       ARG   8  -6.487   6.180  -0.090
   62   HH11  ARG   8          1HH1      ARG   8  -5.206   4.718  -3.034
   63   HH12  ARG   8          2HH1      ARG   8  -5.479   6.060  -4.027
   64   HH21  ARG   8          1HH2      ARG   8  -6.904   8.074  -1.470
   65   HH22  ARG   8          2HH2      ARG   8  -6.478   8.013  -3.110
   66    H    ARG   9           H        ARG   9 -10.359   2.233   2.284
   67    HA   ARG   9           HA       ARG   9 -12.494   1.669   2.126
   68    HB2  ARG   9           2HB      ARG   9 -12.555   3.915   1.059
   69    HB3  ARG   9           1HB      ARG   9 -12.343   3.158  -0.509
   70    HG2  ARG   9           2HG      ARG   9 -14.475   1.984  -0.221
   71    HG3  ARG   9           1HG      ARG   9 -14.700   2.791   1.333
   72    HD2  ARG   9           2HD      ARG   9 -14.350   4.218  -1.284
   73    HD3  ARG   9           1HD      ARG   9 -15.916   3.813  -0.586
   74    HE   ARG   9           HE       ARG   9 -14.890   5.159   1.399
   75   HH11  ARG   9          1HH1      ARG   9 -14.597   5.921  -2.055
   76   HH12  ARG   9          2HH1      ARG   9 -14.685   7.599  -1.855
   77   HH21  ARG   9          1HH2      ARG   9 -15.064   7.520   1.682
   78   HH22  ARG   9          2HH2      ARG   9 -14.944   8.524   0.310
   79    H    GLY  10           H        GLY  10 -11.303  -0.460   1.783
   80    HA2  GLY  10           2HA      GLY  10 -11.794  -2.573   1.099
   81    HA3  GLY  10           1HA      GLY  10 -12.835  -1.850  -0.119
   82    H    VAL  11           H        VAL  11 -10.479  -0.151  -1.084
   83    HA   VAL  11           HA       VAL  11  -9.503  -2.177  -2.907
   84    HB   VAL  11           HB       VAL  11  -8.947   0.813  -2.867
   85   HG11  VAL  11          1HG1      VAL  11  -8.191   0.513  -5.179
   86   HG12  VAL  11          2HG1      VAL  11  -8.455  -1.224  -5.049
   87   HG13  VAL  11          3HG1      VAL  11  -7.216  -0.443  -4.060
   88   HG21  VAL  11          3HG2      VAL  11 -11.301   0.382  -3.234
   89   HG22  VAL  11          1HG2      VAL  11 -10.917  -0.779  -4.505
   90   HG23  VAL  11          2HG2      VAL  11 -10.550   0.928  -4.732
   91    H    ABA  12           H        ABU  12  -7.975  -3.381  -2.040
   92    HA   ABA  12           HA       ABU  12  -5.900  -2.216  -0.402
   93    HB3  ABA  12           1HB      ABU  12  -6.216  -5.063  -1.407
   94    HB2  ABA  12           2HB      ABU  12  -6.812  -4.472   0.139
   95    HG1  ABA  12           1HG      ABU  12  -4.523  -4.011   0.853
   96    HG3  ABA  12           3HG      ABU  12  -4.736  -5.709   0.412
   97    HG2  ABA  12           2HG      ABU  12  -3.925  -4.601  -0.696
   98    H    ARG  13           H        ARG  13  -4.747  -0.921  -1.586
   99    HA   ARG  13           HA       ARG  13  -3.829  -1.745  -4.210
  100    HB2  ARG  13           2HB      ARG  13  -4.689   0.532  -4.006
  101    HB3  ARG  13           1HB      ARG  13  -3.504   0.888  -2.756
  102    HG2  ARG  13           2HG      ARG  13  -2.839   1.853  -4.900
  103    HG3  ARG  13           1HG      ARG  13  -1.691   0.612  -4.385
  104    HD2  ARG  13           2HD      ARG  13  -2.843  -1.011  -5.845
  105    HD3  ARG  13           1HD      ARG  13  -3.911   0.285  -6.389
  106    HE   ARG  13           HE       ARG  13  -1.358   1.156  -6.887
  107   HH11  ARG  13          1HH1      ARG  13  -3.332  -1.603  -7.862
  108   HH12  ARG  13          2HH1      ARG  13  -2.596  -1.799  -9.373
  109   HH21  ARG  13          1HH2      ARG  13  -0.335   0.903  -8.999
  110   HH22  ARG  13          2HH2      ARG  13  -0.871  -0.338 -10.043
  111    H    CYS  14           H        CYS  14  -2.018  -2.810  -4.370
  112    HA   CYS  14           HA       CYS  14   0.061  -2.438  -2.364
  113    HB2  CYS  14           2HB      CYS  14  -0.247  -4.512  -4.540
  114    HB3  CYS  14           1HB      CYS  14   1.057  -4.463  -3.354
  115    H    VAL  15           H        VAL  15   1.667  -1.173  -2.794
  116    HA   VAL  15           HA       VAL  15   2.488  -0.794  -5.568
  117    HB   VAL  15           HB       VAL  15   1.145   1.142  -4.939
  118   HG11  VAL  15          1HG1      VAL  15   1.880   2.708  -3.175
  119   HG12  VAL  15          2HG1      VAL  15   3.124   1.556  -2.701
  120   HG13  VAL  15          3HG1      VAL  15   1.422   1.131  -2.533
  121   HG21  VAL  15          3HG2      VAL  15   3.012   1.499  -6.464
  122   HG22  VAL  15          1HG2      VAL  15   4.073   1.826  -5.097
  123   HG23  VAL  15          2HG2      VAL  15   2.744   2.927  -5.466
  124    H    ABA  16           H        ABU  16   4.644  -0.427  -5.838
  125    HA   ABA  16           HA       ABU  16   6.262  -1.470  -3.661
  126    HB3  ABA  16           1HB      ABU  16   7.967  -1.834  -5.386
  127    HB2  ABA  16           2HB      ABU  16   6.917  -1.064  -6.576
  128    HG1  ABA  16           1HG      ABU  16   5.259  -2.820  -6.249
  129    HG3  ABA  16           3HG      ABU  16   6.809  -3.483  -6.761
  130    HG2  ABA  16           2HG      ABU  16   6.314  -3.600  -5.073
  131    H    ARG  17           H        ARG  17   7.462  -0.229  -2.480
  132    HA   ARG  17           HA       ARG  17   8.433   2.321  -3.545
  133    HB2  ARG  17           2HB      ARG  17   7.317   1.729  -0.807
  134    HB3  ARG  17           1HB      ARG  17   8.239   3.174  -1.188
  135    HG2  ARG  17           2HG      ARG  17   6.536   3.817  -2.814
  136    HG3  ARG  17           1HG      ARG  17   5.613   2.368  -2.402
  137    HD2  ARG  17           2HD      ARG  17   5.299   3.122  -0.161
  138    HD3  ARG  17           1HD      ARG  17   6.406   4.471  -0.406
  139    HE   ARG  17           HE       ARG  17   4.317   4.558  -2.274
  140   HH11  ARG  17          1HH1      ARG  17   4.895   5.116   1.164
  141   HH12  ARG  17          2HH1      ARG  17   3.721   6.342   1.323
  142   HH21  ARG  17          1HH2      ARG  17   2.730   6.229  -2.103
  143   HH22  ARG  17          2HH2      ARG  17   2.431   6.992  -0.617
  144    H    ARG  18           H        ARG  18  10.475   1.850  -3.890
  145    HA   ARG  18           HA       ARG  18  12.645   1.379  -3.573
  146    HB2  ARG  18           2HB      ARG  18  12.298   3.042  -1.679
  147    HB3  ARG  18           1HB      ARG  18  12.040   1.686  -0.608
  148    HG2  ARG  18           2HG      ARG  18  14.284   2.620  -0.371
  149    HG3  ARG  18           1HG      ARG  18  14.338   0.955  -0.942
  150    HD2  ARG  18           2HD      ARG  18  15.944   2.445  -2.099
  151    HD3  ARG  18           1HD      ARG  18  14.799   1.683  -3.192
  152    HE   ARG  18           HE       ARG  18  13.600   3.802  -3.227
  153   HH11  ARG  18          1HH1      ARG  18  16.956   3.960  -2.074
  154   HH12  ARG  18          2HH1      ARG  18  17.235   5.516  -2.683
  155   HH21  ARG  18          1HH2      ARG  18  14.001   5.938  -4.072
  156   HH22  ARG  18          2HH2      ARG  18  15.520   6.676  -3.830
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  10.799  -0.900  -4.351
    2    HA2  GLY   1           2HA      GLY   1  10.970  -3.184  -4.336
    3    HA3  GLY   1           1HA      GLY   1  12.295  -2.979  -3.200
    4    H    VAL   2           H        VAL   2  10.122  -1.259  -1.689
    5    HA   VAL   2           HA       VAL   2   9.227  -3.488  -0.074
    6    HB   VAL   2           HB       VAL   2   8.982  -0.501   0.420
    7   HG11  VAL   2          1HG1      VAL   2   8.509  -1.127   2.751
    8   HG12  VAL   2          2HG1      VAL   2   8.565  -2.831   2.296
    9   HG13  VAL   2          3HG1      VAL   2   7.307  -1.787   1.640
   10   HG21  VAL   2          3HG2      VAL   2  10.990  -2.464   1.533
   11   HG22  VAL   2          1HG2      VAL   2  10.834  -0.774   2.009
   12   HG23  VAL   2          2HG2      VAL   2  11.327  -1.187   0.365
   13    H    ABA   3           H        ABU   3   7.412  -4.365  -0.717
   14    HA   ABA   3           HA       ABU   3   5.379  -2.758  -2.015
   15    HB3  ABA   3           1HB      ABU   3   5.438  -5.724  -1.395
   16    HB2  ABA   3           2HB      ABU   3   5.942  -5.013  -2.922
   17    HG1  ABA   3           1HG      ABU   3   3.157  -4.917  -1.774
   18    HG3  ABA   3           3HG      ABU   3   3.665  -4.217  -3.312
   19    HG2  ABA   3           2HG      ABU   3   3.707  -5.964  -3.081
   20    H    ARG   4           H        ARG   4   4.137  -1.665  -0.712
   21    HA   ARG   4           HA       ARG   4   3.290  -2.962   1.777
   22    HB2  ARG   4           2HB      ARG   4   4.671  -0.913   2.127
   23    HB3  ARG   4           1HB      ARG   4   3.466   0.016   1.247
   24    HG2  ARG   4           2HG      ARG   4   3.223   0.286   3.666
   25    HG3  ARG   4           1HG      ARG   4   1.803  -0.492   2.962
   26    HD2  ARG   4           2HD      ARG   4   2.476  -1.565   5.063
   27    HD3  ARG   4           1HD      ARG   4   2.613  -2.679   3.709
   28    HE   ARG   4           HE       ARG   4   4.919  -1.231   4.840
   29   HH11  ARG   4          1HH1      ARG   4   3.525  -4.285   3.636
   30   HH12  ARG   4          2HH1      ARG   4   4.946  -5.175   3.871
   31   HH21  ARG   4          1HH2      ARG   4   6.853  -2.489   5.174
   32   HH22  ARG   4          2HH2      ARG   4   6.863  -4.147   4.782
   33    H    CYS   5           H        CYS   5   1.225  -3.470   1.858
   34    HA   CYS   5           HA       CYS   5  -0.544  -2.312  -0.144
   35    HB2  CYS   5           2HB      CYS   5  -0.982  -4.756   1.564
   36    HB3  CYS   5           1HB      CYS   5  -1.960  -4.194   0.207
   37    H    VAL   6           H        VAL   6  -1.697  -0.778   0.377
   38    HA   VAL   6           HA       VAL   6  -2.695  -0.446   3.140
   39    HB   VAL   6           HB       VAL   6  -2.516   1.633   0.963
   40   HG11  VAL   6          1HG1      VAL   6  -2.817   3.273   2.763
   41   HG12  VAL   6          2HG1      VAL   6  -2.979   1.946   3.913
   42   HG13  VAL   6          3HG1      VAL   6  -4.174   2.152   2.633
   43   HG21  VAL   6          3HG2      VAL   6  -0.242   0.961   1.510
   44   HG22  VAL   6          1HG2      VAL   6  -0.566   1.195   3.228
   45   HG23  VAL   6          2HG2      VAL   6  -0.554   2.579   2.133
   46    H    ABA   7           H        ABU   7  -4.869  -0.507   3.327
   47    HA   ABA   7           HA       ABU   7  -6.363  -0.958   0.856
   48    HB3  ABA   7           1HB      ABU   7  -8.102  -1.954   2.312
   49    HB2  ABA   7           2HB      ABU   7  -7.062  -1.679   3.702
   50    HG1  ABA   7           1HG      ABU   7  -5.380  -3.164   2.749
   51    HG3  ABA   7           3HG      ABU   7  -6.927  -3.981   2.968
   52    HG2  ABA   7           2HG      ABU   7  -6.429  -3.455   1.361
   53    H    ARG   8           H        ARG   8  -7.560   0.578   0.111
   54    HA   ARG   8           HA       ARG   8  -8.740   2.475   1.992
   55    HB2  ARG   8           2HB      ARG   8  -7.379   3.079  -0.634
   56    HB3  ARG   8           1HB      ARG   8  -8.454   4.221   0.159
   57    HG2  ARG   8           2HG      ARG   8  -5.991   3.068   1.450
   58    HG3  ARG   8           1HG      ARG   8  -6.019   4.602   0.581
   59    HD2  ARG   8           2HD      ARG   8  -7.594   5.532   2.131
   60    HD3  ARG   8           1HD      ARG   8  -7.832   3.980   2.916
   61    HE   ARG   8           HE       ARG   8  -5.630   4.133   3.788
   62   HH11  ARG   8          1HH1      ARG   8  -6.766   7.171   2.342
   63   HH12  ARG   8          2HH1      ARG   8  -5.887   8.168   3.396
   64   HH21  ARG   8          1HH2      ARG   8  -4.425   5.522   5.236
   65   HH22  ARG   8          2HH2      ARG   8  -4.510   7.211   5.063
   66    H    ARG   9           H        ARG   9 -10.736   2.136   2.024
   67    HA   ARG   9           HA       ARG   9 -12.851   1.685   1.549
   68    HB2  ARG   9           2HB      ARG   9 -12.519   3.802   0.146
   69    HB3  ARG   9           1HB      ARG   9 -12.324   2.751  -1.247
   70    HG2  ARG   9           2HG      ARG   9 -14.590   3.616  -1.162
   71    HG3  ARG   9           1HG      ARG   9 -14.601   1.871  -0.882
   72    HD2  ARG   9           2HD      ARG   9 -14.696   2.279   1.542
   73    HD3  ARG   9           1HD      ARG   9 -14.738   4.014   1.232
   74    HE   ARG   9           HE       ARG   9 -16.821   2.835  -0.154
   75   HH11  ARG   9          1HH1      ARG   9 -15.768   3.321   3.177
   76   HH12  ARG   9          2HH1      ARG   9 -17.317   3.252   3.863
   77   HH21  ARG   9          1HH2      ARG   9 -19.033   2.789   0.796
   78   HH22  ARG   9          2HH2      ARG   9 -19.206   2.980   2.478
   79    H    GLY  10           H        GLY  10 -11.253  -0.428   1.426
   80    HA2  GLY  10           2HA      GLY  10 -11.554  -2.632   0.937
   81    HA3  GLY  10           1HA      GLY  10 -12.729  -2.123  -0.266
   82    H    VAL  11           H        VAL  11 -10.409  -0.233  -1.231
   83    HA   VAL  11           HA       VAL  11  -9.444  -2.121  -3.192
   84    HB   VAL  11           HB       VAL  11  -8.783   0.824  -2.925
   85   HG11  VAL  11          1HG1      VAL  11  -8.239   0.687  -5.314
   86   HG12  VAL  11          2HG1      VAL  11  -8.590  -1.039  -5.289
   87   HG13  VAL  11          3HG1      VAL  11  -7.242  -0.401  -4.347
   88   HG21  VAL  11          3HG2      VAL  11 -10.975  -0.446  -4.561
   89   HG22  VAL  11          1HG2      VAL  11 -10.518   1.258  -4.584
   90   HG23  VAL  11          2HG2      VAL  11 -11.201   0.553  -3.121
   91    H    ABA  12           H        ABU  12  -7.763  -3.294  -2.660
   92    HA   ABA  12           HA       ABU  12  -5.891  -2.426  -0.670
   93    HB3  ABA  12           1HB      ABU  12  -5.853  -4.864  -2.469
   94    HB2  ABA  12           2HB      ABU  12  -6.564  -4.803  -0.859
   95    HG1  ABA  12           1HG      ABU  12  -3.649  -4.409  -1.494
   96    HG3  ABA  12           3HG      ABU  12  -4.373  -4.382   0.114
   97    HG2  ABA  12           2HG      ABU  12  -4.376  -5.870  -0.829
   98    H    ARG  13           H        ARG  13  -4.449  -0.988  -1.215
   99    HA   ARG  13           HA       ARG  13  -3.411  -0.848  -3.939
  100    HB2  ARG  13           2HB      ARG  13  -3.119   0.990  -1.555
  101    HB3  ARG  13           1HB      ARG  13  -2.390   1.265  -3.126
  102    HG2  ARG  13           2HG      ARG  13  -5.349   1.100  -2.600
  103    HG3  ARG  13           1HG      ARG  13  -4.422   2.595  -2.740
  104    HD2  ARG  13           2HD      ARG  13  -3.737   1.919  -4.995
  105    HD3  ARG  13           1HD      ARG  13  -4.757   0.484  -4.865
  106    HE   ARG  13           HE       ARG  13  -6.431   2.518  -4.329
  107   HH11  ARG  13          1HH1      ARG  13  -4.198   1.887  -7.005
  108   HH12  ARG  13          2HH1      ARG  13  -5.181   2.639  -8.167
  109   HH21  ARG  13          1HH2      ARG  13  -7.740   3.608  -5.915
  110   HH22  ARG  13          2HH2      ARG  13  -7.210   3.656  -7.534
  111    H    CYS  14           H        CYS  14  -1.791  -2.370  -4.102
  112    HA   CYS  14           HA       CYS  14   0.180  -2.357  -1.968
  113    HB2  CYS  14           2HB      CYS  14  -0.041  -4.141  -4.384
  114    HB3  CYS  14           1HB      CYS  14   1.189  -4.223  -3.118
  115    H    VAL  15           H        VAL  15   1.524  -0.955  -2.068
  116    HA   VAL  15           HA       VAL  15   2.299   0.183  -4.654
  117    HB   VAL  15           HB       VAL  15   2.856   1.289  -1.929
  118   HG11  VAL  15          1HG1      VAL  15   2.935   2.588  -4.639
  119   HG12  VAL  15          2HG1      VAL  15   4.317   2.153  -3.637
  120   HG13  VAL  15          3HG1      VAL  15   3.205   3.421  -3.108
  121   HG21  VAL  15          3HG2      VAL  15   0.438   1.188  -2.179
  122   HG22  VAL  15          1HG2      VAL  15   0.545   1.994  -3.743
  123   HG23  VAL  15          2HG2      VAL  15   0.975   2.866  -2.271
  124    H    ABA  16           H        ABU  16   4.151  -0.314  -5.353
  125    HA   ABA  16           HA       ABU  16   6.130  -1.609  -3.643
  126    HB3  ABA  16           1HB      ABU  16   7.272  -2.170  -5.790
  127    HB2  ABA  16           2HB      ABU  16   5.989  -1.335  -6.659
  128    HG1  ABA  16           1HG      ABU  16   5.645  -3.791  -4.961
  129    HG3  ABA  16           3HG      ABU  16   4.358  -2.934  -5.806
  130    HG2  ABA  16           2HG      ABU  16   5.640  -3.725  -6.724
  131    H    ARG  17           H        ARG  17   7.202  -0.074  -2.607
  132    HA   ARG  17           HA       ARG  17   8.291   2.139  -4.204
  133    HB2  ARG  17           2HB      ARG  17   6.496   2.722  -2.523
  134    HB3  ARG  17           1HB      ARG  17   7.594   2.173  -1.269
  135    HG2  ARG  17           2HG      ARG  17   9.215   3.894  -2.006
  136    HG3  ARG  17           1HG      ARG  17   8.005   4.491  -3.147
  137    HD2  ARG  17           2HD      ARG  17   7.864   5.838  -1.177
  138    HD3  ARG  17           1HD      ARG  17   6.449   4.786  -1.209
  139    HE   ARG  17           HE       ARG  17   8.843   4.148   0.358
  140   HH11  ARG  17          1HH1      ARG  17   5.292   4.425   0.218
  141   HH12  ARG  17          2HH1      ARG  17   5.091   4.021   1.861
  142   HH21  ARG  17          1HH2      ARG  17   8.510   3.613   2.600
  143   HH22  ARG  17          2HH2      ARG  17   6.938   3.534   3.217
  144    H    ARG  18           H        ARG  18  10.390   1.712  -4.472
  145    HA   ARG  18           HA       ARG  18  12.545   1.144  -4.109
  146    HB2  ARG  18           2HB      ARG  18  12.405   2.930  -2.406
  147    HB3  ARG  18           1HB      ARG  18  11.803   1.784  -1.229
  148    HG2  ARG  18           2HG      ARG  18  13.979   0.616  -1.314
  149    HG3  ARG  18           1HG      ARG  18  14.566   1.859  -2.420
  150    HD2  ARG  18           2HD      ARG  18  14.345   3.539  -0.801
  151    HD3  ARG  18           1HD      ARG  18  13.418   2.493   0.278
  152    HE   ARG  18           HE       ARG  18  15.835   1.275  -0.151
  153   HH11  ARG  18          1HH1      ARG  18  14.777   4.355   1.227
  154   HH12  ARG  18          2HH1      ARG  18  15.976   4.396   2.434
  155   HH21  ARG  18          1HH2      ARG  18  17.462   1.296   1.507
  156   HH22  ARG  18          2HH2      ARG  18  17.551   2.611   2.588
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  10.731  -1.498  -4.666
    2    HA2  GLY   1           2HA      GLY   1  10.759  -3.767  -4.453
    3    HA3  GLY   1           1HA      GLY   1  12.113  -3.561  -3.349
    4    H    VAL   2           H        VAL   2  10.593  -1.667  -1.626
    5    HA   VAL   2           HA       VAL   2   9.325  -3.680  -0.025
    6    HB   VAL   2           HB       VAL   2   9.609  -0.713   0.529
    7   HG11  VAL   2          1HG1      VAL   2   9.285  -1.360   2.866
    8   HG12  VAL   2          2HG1      VAL   2   9.071  -3.037   2.370
    9   HG13  VAL   2          3HG1      VAL   2   7.901  -1.814   1.872
   10   HG21  VAL   2          3HG2      VAL   2  11.802  -1.745   0.195
   11   HG22  VAL   2          1HG2      VAL   2  11.402  -2.991   1.379
   12   HG23  VAL   2          2HG2      VAL   2  11.555  -1.310   1.888
   13    H    ABA   3           H        ABU   3   7.387  -4.230  -0.621
   14    HA   ABA   3           HA       ABU   3   5.608  -2.389  -1.931
   15    HB3  ABA   3           1HB      ABU   3   5.251  -5.289  -1.177
   16    HB2  ABA   3           2HB      ABU   3   5.851  -4.705  -2.722
   17    HG1  ABA   3           1HG      ABU   3   3.538  -5.361  -2.897
   18    HG3  ABA   3           3HG      ABU   3   3.105  -4.237  -1.606
   19    HG2  ABA   3           2HG      ABU   3   3.710  -3.625  -3.151
   20    H    ARG   4           H        ARG   4   4.271  -1.152  -0.909
   21    HA   ARG   4           HA       ARG   4   3.402  -1.775   1.826
   22    HB2  ARG   4           2HB      ARG   4   3.255   0.800   0.246
   23    HB3  ARG   4           1HB      ARG   4   2.745   0.597   1.913
   24    HG2  ARG   4           2HG      ARG   4   5.556   0.350   0.863
   25    HG3  ARG   4           1HG      ARG   4   4.890   1.690   1.802
   26    HD2  ARG   4           2HD      ARG   4   4.453   0.122   3.660
   27    HD3  ARG   4           1HD      ARG   4   5.180  -1.156   2.687
   28    HE   ARG   4           HE       ARG   4   6.975   0.955   2.891
   29   HH11  ARG   4          1HH1      ARG   4   5.607  -1.659   4.848
   30   HH12  ARG   4          2HH1      ARG   4   6.888  -1.720   5.951
   31   HH21  ARG   4          1HH2      ARG   4   8.765   0.849   4.327
   32   HH22  ARG   4          2HH2      ARG   4   8.777  -0.265   5.627
   33    H    CYS   5           H        CYS   5   1.468  -2.724   1.940
   34    HA   CYS   5           HA       CYS   5  -0.465  -2.146  -0.182
   35    HB2  CYS   5           2HB      CYS   5  -0.373  -4.427   1.777
   36    HB3  CYS   5           1HB      CYS   5  -1.593  -4.187   0.529
   37    H    VAL   6           H        VAL   6  -1.943  -0.806   0.258
   38    HA   VAL   6           HA       VAL   6  -2.856  -0.475   3.047
   39    HB   VAL   6           HB       VAL   6  -2.924   1.640   0.885
   40   HG11  VAL   6          1HG1      VAL   6  -3.380   3.203   2.717
   41   HG12  VAL   6          2HG1      VAL   6  -3.361   1.853   3.855
   42   HG13  VAL   6          3HG1      VAL   6  -4.600   1.930   2.599
   43   HG21  VAL   6          3HG2      VAL   6  -1.060   2.761   2.057
   44   HG22  VAL   6          1HG2      VAL   6  -0.585   1.189   1.415
   45   HG23  VAL   6          2HG2      VAL   6  -0.922   1.372   3.134
   46    H    ABA   7           H        ABU   7  -5.016  -0.627   3.339
   47    HA   ABA   7           HA       ABU   7  -6.622  -1.213   0.953
   48    HB3  ABA   7           1HB      ABU   7  -6.970  -2.300   3.761
   49    HB2  ABA   7           2HB      ABU   7  -6.264  -3.182   2.413
   50    HG1  ABA   7           1HG      ABU   7  -8.397  -3.083   1.223
   51    HG3  ABA   7           3HG      ABU   7  -8.564  -3.867   2.796
   52    HG2  ABA   7           2HG      ABU   7  -9.103  -2.200   2.576
   53    H    ARG   8           H        ARG   8  -7.686   0.571   0.522
   54    HA   ARG   8           HA       ARG   8  -9.297   1.759   2.658
   55    HB2  ARG   8           2HB      ARG   8  -7.674   3.289   0.616
   56    HB3  ARG   8           1HB      ARG   8  -8.955   4.013   1.576
   57    HG2  ARG   8           2HG      ARG   8  -7.720   3.418   3.617
   58    HG3  ARG   8           1HG      ARG   8  -6.432   2.766   2.616
   59    HD2  ARG   8           2HD      ARG   8  -6.051   4.970   1.643
   60    HD3  ARG   8           1HD      ARG   8  -7.385   5.629   2.596
   61    HE   ARG   8           HE       ARG   8  -5.408   4.313   4.171
   62   HH11  ARG   8          1HH1      ARG   8  -6.102   7.432   2.622
   63   HH12  ARG   8          2HH1      ARG   8  -5.273   8.328   3.809
   64   HH21  ARG   8          1HH2      ARG   8  -4.257   5.543   5.715
   65   HH22  ARG   8          2HH2      ARG   8  -4.170   7.245   5.585
   66    H    ARG   9           H        ARG   9 -11.345   2.069   2.142
   67    HA   ARG   9           HA       ARG   9 -13.294   2.012   1.035
   68    HB2  ARG   9           2HB      ARG   9 -12.261   4.047  -0.024
   69    HB3  ARG   9           1HB      ARG   9 -11.638   3.028  -1.303
   70    HG2  ARG   9           2HG      ARG   9 -13.910   2.555  -2.044
   71    HG3  ARG   9           1HG      ARG   9 -14.553   3.512  -0.706
   72    HD2  ARG   9           2HD      ARG   9 -12.752   4.562  -2.888
   73    HD3  ARG   9           1HD      ARG   9 -14.499   4.758  -2.843
   74    HE   ARG   9           HE       ARG   9 -13.562   5.747  -0.447
   75   HH11  ARG   9          1HH1      ARG   9 -13.037   6.538  -3.850
   76   HH12  ARG   9          2HH1      ARG   9 -12.850   8.202  -3.589
   77   HH21  ARG   9          1HH2      ARG   9 -13.274   8.036  -0.073
   78   HH22  ARG   9          2HH2      ARG   9 -12.940   9.085  -1.374
   79    H    GLY  10           H        GLY  10 -11.930  -0.290   1.266
   80    HA2  GLY  10           2HA      GLY  10 -12.105  -2.474   0.693
   81    HA3  GLY  10           1HA      GLY  10 -13.187  -1.939  -0.582
   82    H    VAL  11           H        VAL  11 -10.308  -0.308  -0.991
   83    HA   VAL  11           HA       VAL  11  -9.451  -2.217  -3.030
   84    HB   VAL  11           HB       VAL  11  -8.756   0.723  -2.730
   85   HG11  VAL  11          1HG1      VAL  11  -8.240  -1.168  -5.025
   86   HG12  VAL  11          2HG1      VAL  11  -7.030  -0.529  -3.915
   87   HG13  VAL  11          3HG1      VAL  11  -7.877   0.559  -5.014
   88   HG21  VAL  11          3HG2      VAL  11 -10.712  -0.598  -4.617
   89   HG22  VAL  11          1HG2      VAL  11 -10.258   1.106  -4.636
   90   HG23  VAL  11          2HG2      VAL  11 -11.121   0.440  -3.250
   91    H    ABA  12           H        ABU  12  -7.756  -3.421  -2.539
   92    HA   ABA  12           HA       ABU  12  -5.880  -2.544  -0.473
   93    HB3  ABA  12           1HB      ABU  12  -6.101  -5.224  -1.888
   94    HB2  ABA  12           2HB      ABU  12  -6.838  -4.850  -0.334
   95    HG1  ABA  12           1HG      ABU  12  -4.793  -6.131  -0.045
   96    HG3  ABA  12           3HG      ABU  12  -3.880  -4.890  -0.903
   97    HG2  ABA  12           2HG      ABU  12  -4.627  -4.521   0.651
   98    H    ARG  13           H        ARG  13  -4.730  -1.038  -1.526
   99    HA   ARG  13           HA       ARG  13  -3.577  -1.623  -4.145
  100    HB2  ARG  13           2HB      ARG  13  -4.688   0.555  -3.775
  101    HB3  ARG  13           1HB      ARG  13  -3.520   0.923  -2.515
  102    HG2  ARG  13           2HG      ARG  13  -1.714   0.795  -4.206
  103    HG3  ARG  13           1HG      ARG  13  -2.940   0.540  -5.448
  104    HD2  ARG  13           2HD      ARG  13  -2.320   2.869  -5.432
  105    HD3  ARG  13           1HD      ARG  13  -3.959   2.707  -4.814
  106    HE   ARG  13           HE       ARG  13  -1.978   2.697  -2.753
  107   HH11  ARG  13          1HH1      ARG  13  -3.929   4.785  -4.814
  108   HH12  ARG  13          2HH1      ARG  13  -3.880   6.124  -3.772
  109   HH21  ARG  13          1HH2      ARG  13  -1.888   4.573  -1.288
  110   HH22  ARG  13          2HH2      ARG  13  -2.725   5.983  -1.707
  111    H    CYS  14           H        CYS  14  -1.603  -2.402  -4.283
  112    HA   CYS  14           HA       CYS  14   0.229  -1.993  -2.045
  113    HB2  CYS  14           2HB      CYS  14   0.255  -4.072  -4.231
  114    HB3  CYS  14           1HB      CYS  14   1.452  -3.930  -2.958
  115    H    VAL  15           H        VAL  15   1.738  -0.618  -2.304
  116    HA   VAL  15           HA       VAL  15   2.525   0.187  -5.027
  117    HB   VAL  15           HB       VAL  15   2.843   1.857  -2.546
  118   HG11  VAL  15          1HG1      VAL  15   2.996   3.718  -4.133
  119   HG12  VAL  15          2HG1      VAL  15   2.836   2.577  -5.464
  120   HG13  VAL  15          3HG1      VAL  15   4.242   2.498  -4.395
  121   HG21  VAL  15          3HG2      VAL  15   0.518   1.933  -4.469
  122   HG22  VAL  15          1HG2      VAL  15   0.820   3.111  -3.191
  123   HG23  VAL  15          2HG2      VAL  15   0.459   1.436  -2.777
  124    H    ABA  16           H        ABU  16   4.592  -0.043  -5.500
  125    HA   ABA  16           HA       ABU  16   6.330  -1.294  -3.557
  126    HB3  ABA  16           1HB      ABU  16   6.705  -0.778  -6.509
  127    HB2  ABA  16           2HB      ABU  16   6.128  -2.275  -5.790
  128    HG1  ABA  16           1HG      ABU  16   8.467  -2.438  -6.447
  129    HG3  ABA  16           3HG      ABU  16   8.858  -1.082  -5.389
  130    HG2  ABA  16           2HG      ABU  16   8.272  -2.599  -4.702
  131    H    ARG  17           H        ARG  17   7.576  -0.086  -2.313
  132    HA   ARG  17           HA       ARG  17   8.754   2.363  -3.435
  133    HB2  ARG  17           2HB      ARG  17   8.428   1.513  -0.538
  134    HB3  ARG  17           1HB      ARG  17   9.132   3.027  -1.089
  135    HG2  ARG  17           2HG      ARG  17   6.267   2.171  -1.444
  136    HG3  ARG  17           1HG      ARG  17   6.867   3.358  -0.281
  137    HD2  ARG  17           2HD      ARG  17   7.627   4.776  -2.125
  138    HD3  ARG  17           1HD      ARG  17   7.059   3.578  -3.286
  139    HE   ARG  17           HE       ARG  17   5.029   4.422  -1.501
  140   HH11  ARG  17          1HH1      ARG  17   6.738   5.315  -4.469
  141   HH12  ARG  17          2HH1      ARG  17   5.474   6.229  -5.120
  142   HH21  ARG  17          1HH2      ARG  17   3.226   5.685  -2.426
  143   HH22  ARG  17          2HH2      ARG  17   3.445   6.455  -3.922
  144    H    ARG  18           H        ARG  18  10.497   1.549  -4.403
  145    HA   ARG  18           HA       ARG  18  12.359   0.367  -4.863
  146    HB2  ARG  18           2HB      ARG  18  13.196   2.221  -3.398
  147    HB3  ARG  18           1HB      ARG  18  13.115   1.116  -2.027
  148    HG2  ARG  18           2HG      ARG  18  14.722  -0.357  -3.117
  149    HG3  ARG  18           1HG      ARG  18  14.820   0.755  -4.480
  150    HD2  ARG  18           2HD      ARG  18  15.668   2.494  -2.976
  151    HD3  ARG  18           1HD      ARG  18  15.582   1.353  -1.629
  152    HE   ARG  18           HE       ARG  18  17.045   0.134  -3.592
  153   HH11  ARG  18          1HH1      ARG  18  17.396   3.026  -1.546
  154   HH12  ARG  18          2HH1      ARG  18  19.082   3.036  -1.588
  155   HH21  ARG  18          1HH2      ARG  18  19.404   0.140  -3.631
  156   HH22  ARG  18          2HH2      ARG  18  20.257   1.344  -2.793
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  11.035  -2.345  -4.464
    2    HA2  GLY   1           2HA      GLY   1  11.110  -4.467  -3.582
    3    HA3  GLY   1           1HA      GLY   1  12.448  -3.912  -2.593
    4    H    VAL   2           H        VAL   2  10.665  -1.547  -1.746
    5    HA   VAL   2           HA       VAL   2   9.486  -2.970   0.495
    6    HB   VAL   2           HB       VAL   2   9.739   0.020   0.023
    7   HG11  VAL   2          1HG1      VAL   2   9.301   0.243   2.427
    8   HG12  VAL   2          2HG1      VAL   2   9.070  -1.501   2.547
    9   HG13  VAL   2          3HG1      VAL   2   7.952  -0.527   1.592
   10   HG21  VAL   2          3HG2      VAL   2  11.931  -1.043   0.171
   11   HG22  VAL   2          1HG2      VAL   2  11.465  -1.818   1.685
   12   HG23  VAL   2          2HG2      VAL   2  11.616  -0.063   1.604
   13    H    ABA   3           H        ABU   3   7.492  -3.689   0.190
   14    HA   ABA   3           HA       ABU   3   5.662  -2.112  -1.476
   15    HB3  ABA   3           1HB      ABU   3   5.536  -5.050  -0.763
   16    HB2  ABA   3           2HB      ABU   3   6.127  -4.409  -2.291
   17    HG1  ABA   3           1HG      ABU   3   3.920  -3.520  -2.798
   18    HG3  ABA   3           3HG      ABU   3   3.831  -5.253  -2.472
   19    HG2  ABA   3           2HG      ABU   3   3.322  -4.096  -1.245
   20    H    ARG   4           H        ARG   4   3.962  -1.230  -0.581
   21    HA   ARG   4           HA       ARG   4   3.022  -2.218   2.018
   22    HB2  ARG   4           2HB      ARG   4   4.199  -0.119   2.395
   23    HB3  ARG   4           1HB      ARG   4   3.284   0.654   1.112
   24    HG2  ARG   4           2HG      ARG   4   1.238   0.437   2.385
   25    HG3  ARG   4           1HG      ARG   4   2.096  -0.446   3.645
   26    HD2  ARG   4           2HD      ARG   4   2.693   2.387   2.826
   27    HD3  ARG   4           1HD      ARG   4   1.696   1.924   4.205
   28    HE   ARG   4           HE       ARG   4   4.229   0.677   4.305
   29   HH11  ARG   4          1HH1      ARG   4   2.647   3.788   4.857
   30   HH12  ARG   4          2HH1      ARG   4   3.760   4.321   6.029
   31   HH21  ARG   4          1HH2      ARG   4   5.777   1.409   5.937
   32   HH22  ARG   4          2HH2      ARG   4   5.560   2.920   6.677
   33    H    CYS   5           H        CYS   5   0.956  -2.830   1.935
   34    HA   CYS   5           HA       CYS   5  -0.661  -1.866  -0.296
   35    HB2  CYS   5           2HB      CYS   5  -0.979  -4.341   1.384
   36    HB3  CYS   5           1HB      CYS   5  -2.019  -3.862   0.048
   37    H    VAL   6           H        VAL   6  -2.082  -0.466   0.101
   38    HA   VAL   6           HA       VAL   6  -3.087  -0.140   2.836
   39    HB   VAL   6           HB       VAL   6  -3.370   1.732   0.513
   40   HG11  VAL   6          1HG1      VAL   6  -3.897   3.442   2.219
   41   HG12  VAL   6          2HG1      VAL   6  -3.800   2.192   3.458
   42   HG13  VAL   6          3HG1      VAL   6  -5.037   2.097   2.208
   43   HG21  VAL   6          3HG2      VAL   6  -0.992   1.512   1.009
   44   HG22  VAL   6          1HG2      VAL   6  -1.294   1.861   2.707
   45   HG23  VAL   6          2HG2      VAL   6  -1.560   3.110   1.491
   46    H    ABA   7           H        ABU   7  -5.033  -0.751   3.157
   47    HA   ABA   7           HA       ABU   7  -6.741  -1.471   0.886
   48    HB3  ABA   7           1HB      ABU   7  -7.078  -2.222   3.806
   49    HB2  ABA   7           2HB      ABU   7  -6.293  -3.241   2.604
   50    HG1  ABA   7           1HG      ABU   7  -9.170  -2.367   2.554
   51    HG3  ABA   7           3HG      ABU   7  -8.382  -3.385   1.352
   52    HG2  ABA   7           2HG      ABU   7  -8.577  -3.968   3.005
   53    H    ARG   8           H        ARG   8  -7.571   0.399   0.315
   54    HA   ARG   8           HA       ARG   8  -8.893   1.992   2.371
   55    HB2  ARG   8           2HB      ARG   8  -8.855   3.868   0.708
   56    HB3  ARG   8           1HB      ARG   8  -7.271   3.324   1.227
   57    HG2  ARG   8           2HG      ARG   8  -6.998   2.089  -0.861
   58    HG3  ARG   8           1HG      ARG   8  -8.608   2.589  -1.373
   59    HD2  ARG   8           2HD      ARG   8  -6.872   3.950  -2.409
   60    HD3  ARG   8           1HD      ARG   8  -7.899   4.924  -1.357
   61    HE   ARG   8           HE       ARG   8  -6.046   4.652   0.321
   62   HH11  ARG   8          1HH1      ARG   8  -5.405   4.699  -3.166
   63   HH12  ARG   8          2HH1      ARG   8  -3.778   5.186  -2.977
   64   HH21  ARG   8          1HH2      ARG   8  -3.888   5.396   0.535
   65   HH22  ARG   8          2HH2      ARG   8  -2.894   5.616  -0.843
   66    H    ARG   9           H        ARG   9 -10.824   1.305   2.628
   67    HA   ARG   9           HA       ARG   9 -12.986   0.841   2.345
   68    HB2  ARG   9           2HB      ARG   9 -12.784   3.238   1.572
   69    HB3  ARG   9           1HB      ARG   9 -12.754   2.640  -0.070
   70    HG2  ARG   9           2HG      ARG   9 -15.019   1.871   0.100
   71    HG3  ARG   9           1HG      ARG   9 -15.053   2.214   1.835
   72    HD2  ARG   9           2HD      ARG   9 -14.705   4.244  -0.367
   73    HD3  ARG   9           1HD      ARG   9 -16.169   3.988   0.589
   74    HE   ARG   9           HE       ARG   9 -14.500   4.475   2.526
   75   HH11  ARG   9          1HH1      ARG   9 -14.715   6.198  -0.572
   76   HH12  ARG   9          2HH1      ARG   9 -14.086   7.657   0.019
   77   HH21  ARG   9          1HH2      ARG   9 -13.627   6.510   3.353
   78   HH22  ARG   9          2HH2      ARG   9 -13.475   7.847   2.319
   79    H    GLY  10           H        GLY  10 -11.465  -1.160   1.442
   80    HA2  GLY  10           2HA      GLY  10 -12.144  -3.166   0.481
   81    HA3  GLY  10           1HA      GLY  10 -13.121  -2.198  -0.617
   82    H    VAL  11           H        VAL  11 -10.680  -0.442  -1.125
   83    HA   VAL  11           HA       VAL  11  -9.604  -2.174  -3.215
   84    HB   VAL  11           HB       VAL  11  -9.224   0.811  -2.845
   85   HG11  VAL  11          1HG1      VAL  11  -8.616  -0.976  -5.199
   86   HG12  VAL  11          2HG1      VAL  11  -7.429  -0.212  -4.140
   87   HG13  VAL  11          3HG1      VAL  11  -8.458   0.779  -5.175
   88   HG21  VAL  11          3HG2      VAL  11 -11.093  -0.681  -4.675
   89   HG22  VAL  11          1HG2      VAL  11 -10.847   1.067  -4.670
   90   HG23  VAL  11          2HG2      VAL  11 -11.556   0.270  -3.263
   91    H    ABA  12           H        ABU  12  -7.819  -3.236  -2.752
   92    HA   ABA  12           HA       ABU  12  -5.949  -2.145  -0.807
   93    HB3  ABA  12           1HB      ABU  12  -6.024  -4.867  -2.142
   94    HB2  ABA  12           2HB      ABU  12  -6.690  -4.508  -0.556
   95    HG1  ABA  12           1HG      ABU  12  -3.788  -4.320  -1.319
   96    HG3  ABA  12           3HG      ABU  12  -4.463  -3.962   0.270
   97    HG2  ABA  12           2HG      ABU  12  -4.537  -5.605  -0.367
   98    H    ARG  13           H        ARG  13  -4.807  -0.658  -1.798
   99    HA   ARG  13           HA       ARG  13  -3.655  -1.294  -4.411
  100    HB2  ARG  13           2HB      ARG  13  -5.010   0.812  -4.187
  101    HB3  ARG  13           1HB      ARG  13  -3.830   1.400  -3.030
  102    HG2  ARG  13           2HG      ARG  13  -3.511   2.369  -5.258
  103    HG3  ARG  13           1HG      ARG  13  -2.115   1.424  -4.745
  104    HD2  ARG  13           2HD      ARG  13  -2.687   1.019  -7.097
  105    HD3  ARG  13           1HD      ARG  13  -2.835  -0.445  -6.136
  106    HE   ARG  13           HE       ARG  13  -5.172   1.208  -6.884
  107   HH11  ARG  13          1HH1      ARG  13  -3.619  -1.973  -6.674
  108   HH12  ARG  13          2HH1      ARG  13  -4.944  -2.804  -7.333
  109   HH21  ARG  13          1HH2      ARG  13  -6.964   0.020  -7.854
  110   HH22  ARG  13          2HH2      ARG  13  -6.843  -1.679  -8.037
  111    H    CYS  14           H        CYS  14  -1.523  -1.729  -4.533
  112    HA   CYS  14           HA       CYS  14   0.022  -1.396  -2.080
  113    HB2  CYS  14           2HB      CYS  14   0.455  -3.292  -4.375
  114    HB3  CYS  14           1HB      CYS  14   1.391  -3.233  -2.886
  115    H    VAL  15           H        VAL  15   1.595  -0.075  -2.032
  116    HA   VAL  15           HA       VAL  15   2.668   1.011  -4.543
  117    HB   VAL  15           HB       VAL  15   3.183   1.965  -1.728
  118   HG11  VAL  15          1HG1      VAL  15   3.924   4.056  -2.790
  119   HG12  VAL  15          2HG1      VAL  15   3.628   3.338  -4.372
  120   HG13  VAL  15          3HG1      VAL  15   4.869   2.663  -3.317
  121   HG21  VAL  15          3HG2      VAL  15   1.568   3.792  -2.132
  122   HG22  VAL  15          1HG2      VAL  15   0.797   2.206  -2.154
  123   HG23  VAL  15          2HG2      VAL  15   1.137   3.047  -3.669
  124    H    ABA  16           H        ABU  16   4.650   0.425  -5.073
  125    HA   ABA  16           HA       ABU  16   6.246  -1.029  -3.090
  126    HB3  ABA  16           1HB      ABU  16   5.963  -1.716  -6.029
  127    HB2  ABA  16           2HB      ABU  16   5.233  -2.613  -4.702
  128    HG1  ABA  16           1HG      ABU  16   7.444  -3.191  -3.859
  129    HG3  ABA  16           3HG      ABU  16   7.239  -3.716  -5.531
  130    HG2  ABA  16           2HG      ABU  16   8.184  -2.275  -5.169
  131    H    ARG  17           H        ARG  17   7.982   0.075  -2.702
  132    HA   ARG  17           HA       ARG  17   9.221   1.446  -4.957
  133    HB2  ARG  17           2HB      ARG  17   8.078   3.061  -3.430
  134    HB3  ARG  17           1HB      ARG  17   9.163   2.532  -2.145
  135    HG2  ARG  17           2HG      ARG  17  11.085   3.264  -3.464
  136    HG3  ARG  17           1HG      ARG  17   9.997   3.802  -4.739
  137    HD2  ARG  17           2HD      ARG  17  10.630   5.699  -3.444
  138    HD3  ARG  17           1HD      ARG  17   8.941   5.336  -3.095
  139    HE   ARG  17           HE       ARG  17  10.497   4.032  -1.211
  140   HH11  ARG  17          1HH1      ARG  17   9.683   7.334  -2.154
  141   HH12  ARG  17          2HH1      ARG  17   9.996   8.007  -0.620
  142   HH21  ARG  17          1HH2      ARG  17  10.945   4.970   0.921
  143   HH22  ARG  17          2HH2      ARG  17  10.746   6.652   1.142
  144    H    ARG  18           H        ARG  18  10.942   0.388  -5.374
  145    HA   ARG  18           HA       ARG  18  12.865  -0.727  -5.268
  146    HB2  ARG  18           2HB      ARG  18  13.561   1.533  -4.518
  147    HB3  ARG  18           1HB      ARG  18  13.320   1.043  -2.852
  148    HG2  ARG  18           2HG      ARG  18  15.155  -0.496  -2.973
  149    HG3  ARG  18           1HG      ARG  18  15.299  -0.237  -4.717
  150    HD2  ARG  18           2HD      ARG  18  15.670   1.897  -2.632
  151    HD3  ARG  18           1HD      ARG  18  16.994   1.017  -3.403
  152    HE   ARG  18           HE       ARG  18  15.716   1.936  -5.515
  153   HH11  ARG  18          1HH1      ARG  18  16.607   3.682  -2.554
  154   HH12  ARG  18          2HH1      ARG  18  16.833   5.177  -3.349
  155   HH21  ARG  18          1HH2      ARG  18  16.004   4.005  -6.575
  156   HH22  ARG  18          2HH2      ARG  18  16.481   5.366  -5.674
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  11.110  -1.306  -4.502
    2    HA2  GLY   1           2HA      GLY   1  11.565  -3.486  -4.028
    3    HA3  GLY   1           1HA      GLY   1  12.760  -2.902  -2.879
    4    H    VAL   2           H        VAL   2  10.377  -1.132  -1.806
    5    HA   VAL   2           HA       VAL   2   9.429  -3.255  -0.039
    6    HB   VAL   2           HB       VAL   2   9.311  -0.249   0.349
    7   HG11  VAL   2          1HG1      VAL   2   7.461  -1.395   1.481
    8   HG12  VAL   2          2HG1      VAL   2   8.618  -0.757   2.647
    9   HG13  VAL   2          3HG1      VAL   2   8.608  -2.482   2.262
   10   HG21  VAL   2          3HG2      VAL   2  11.576  -1.188   0.446
   11   HG22  VAL   2          1HG2      VAL   2  11.052  -2.316   1.692
   12   HG23  VAL   2          2HG2      VAL   2  11.049  -0.581   2.018
   13    H    ABA   3           H        ABU   3   7.623  -4.142  -0.683
   14    HA   ABA   3           HA       ABU   3   5.549  -2.521  -1.931
   15    HB3  ABA   3           1HB      ABU   3   5.711  -5.522  -1.533
   16    HB2  ABA   3           2HB      ABU   3   6.194  -4.682  -3.002
   17    HG1  ABA   3           1HG      ABU   3   3.894  -3.924  -3.328
   18    HG3  ABA   3           3HG      ABU   3   4.001  -5.679  -3.259
   19    HG2  ABA   3           2HG      ABU   3   3.406  -4.780  -1.866
   20    H    ARG   4           H        ARG   4   3.830  -1.898  -0.843
   21    HA   ARG   4           HA       ARG   4   3.185  -3.197   1.695
   22    HB2  ARG   4           2HB      ARG   4   4.573  -1.172   2.079
   23    HB3  ARG   4           1HB      ARG   4   3.375  -0.222   1.226
   24    HG2  ARG   4           2HG      ARG   4   1.794  -0.461   2.942
   25    HG3  ARG   4           1HG      ARG   4   2.691  -1.792   3.686
   26    HD2  ARG   4           2HD      ARG   4   3.638   1.070   3.488
   27    HD3  ARG   4           1HD      ARG   4   3.013   0.288   4.949
   28    HE   ARG   4           HE       ARG   4   5.026  -1.332   4.082
   29   HH11  ARG   4          1HH1      ARG   4   4.875   2.080   5.110
   30   HH12  ARG   4          2HH1      ARG   4   6.486   2.099   5.674
   31   HH21  ARG   4          1HH2      ARG   4   7.261  -1.252   4.887
   32   HH22  ARG   4          2HH2      ARG   4   7.831   0.213   5.545
   33    H    CYS   5           H        CYS   5   1.130  -3.721   1.759
   34    HA   CYS   5           HA       CYS   5  -0.709  -2.519  -0.178
   35    HB2  CYS   5           2HB      CYS   5  -0.880  -5.161   1.266
   36    HB3  CYS   5           1HB      CYS   5  -1.990  -4.575   0.036
   37    H    VAL   6           H        VAL   6  -2.140  -1.220   0.490
   38    HA   VAL   6           HA       VAL   6  -3.162  -1.441   3.239
   39    HB   VAL   6           HB       VAL   6  -2.767   1.144   1.714
   40   HG11  VAL   6          1HG1      VAL   6  -3.475   0.640   4.587
   41   HG12  VAL   6          2HG1      VAL   6  -4.558   1.218   3.319
   42   HG13  VAL   6          3HG1      VAL   6  -3.215   2.225   3.859
   43   HG21  VAL   6          3HG2      VAL   6  -0.908   1.669   3.221
   44   HG22  VAL   6          1HG2      VAL   6  -0.566   0.230   2.262
   45   HG23  VAL   6          2HG2      VAL   6  -1.046   0.063   3.951
   46    H    ABA   7           H        ABU   7  -5.360  -1.335   3.313
   47    HA   ABA   7           HA       ABU   7  -6.727  -1.303   0.788
   48    HB3  ABA   7           1HB      ABU   7  -7.495  -3.004   2.289
   49    HB2  ABA   7           2HB      ABU   7  -8.782  -1.823   2.137
   50    HG1  ABA   7           1HG      ABU   7  -8.593  -2.546   4.423
   51    HG3  ABA   7           3HG      ABU   7  -6.894  -2.073   4.458
   52    HG2  ABA   7           2HG      ABU   7  -8.146  -0.842   4.283
   53    H    ARG   8           H        ARG   8  -7.423   0.361  -0.130
   54    HA   ARG   8           HA       ARG   8  -8.137   2.745   1.438
   55    HB2  ARG   8           2HB      ARG   8  -7.169   2.570  -1.428
   56    HB3  ARG   8           1HB      ARG   8  -7.566   4.044  -0.566
   57    HG2  ARG   8           2HG      ARG   8  -5.301   2.176   0.115
   58    HG3  ARG   8           1HG      ARG   8  -5.145   3.698  -0.754
   59    HD2  ARG   8           2HD      ARG   8  -6.014   4.892   1.200
   60    HD3  ARG   8           1HD      ARG   8  -6.129   3.360   2.076
   61    HE   ARG   8           HE       ARG   8  -3.531   3.647   1.112
   62   HH11  ARG   8          1HH1      ARG   8  -5.629   5.156   3.544
   63   HH12  ARG   8          2HH1      ARG   8  -4.334   5.638   4.542
   64   HH21  ARG   8          1HH2      ARG   8  -1.800   4.270   2.470
   65   HH22  ARG   8          2HH2      ARG   8  -2.082   5.058   3.947
   66    H    ARG   9           H        ARG   9 -10.257   2.791   1.557
   67    HA   ARG   9           HA       ARG   9 -12.431   2.639   1.136
   68    HB2  ARG   9           2HB      ARG   9 -11.764   4.417  -0.501
   69    HB3  ARG   9           1HB      ARG   9 -11.625   3.184  -1.740
   70    HG2  ARG   9           2HG      ARG   9 -13.987   2.753  -1.653
   71    HG3  ARG   9           1HG      ARG   9 -14.173   3.832  -0.268
   72    HD2  ARG   9           2HD      ARG   9 -13.238   4.659  -3.017
   73    HD3  ARG   9           1HD      ARG   9 -14.862   4.906  -2.372
   74    HE   ARG   9           HE       ARG   9 -12.907   6.010  -0.638
   75   HH11  ARG   9          1HH1      ARG   9 -14.494   6.672  -3.723
   76   HH12  ARG   9          2HH1      ARG   9 -14.377   8.360  -3.586
   77   HH21  ARG   9          1HH2      ARG   9 -12.737   8.319  -0.446
   78   HH22  ARG   9          2HH2      ARG   9 -13.375   9.313  -1.683
   79    H    GLY  10           H        GLY  10 -11.288   0.296   1.460
   80    HA2  GLY  10           2HA      GLY  10 -11.866  -1.869   1.389
   81    HA3  GLY  10           1HA      GLY  10 -13.062  -1.443   0.180
   82    H    VAL  11           H        VAL  11 -10.309  -0.260  -1.106
   83    HA   VAL  11           HA       VAL  11  -9.874  -2.750  -2.595
   84    HB   VAL  11           HB       VAL  11  -9.114   0.081  -3.319
   85   HG11  VAL  11          1HG1      VAL  11  -7.615  -1.500  -4.367
   86   HG12  VAL  11          2HG1      VAL  11  -8.705  -0.838  -5.587
   87   HG13  VAL  11          3HG1      VAL  11  -8.975  -2.458  -4.949
   88   HG21  VAL  11          3HG2      VAL  11 -10.916  -0.016  -4.981
   89   HG22  VAL  11          1HG2      VAL  11 -11.537  -0.202  -3.343
   90   HG23  VAL  11          2HG2      VAL  11 -11.372  -1.613  -4.391
   91    H    ABA  12           H        ABU  12  -8.057  -3.837  -2.235
   92    HA   ABA  12           HA       ABU  12  -6.057  -2.818  -0.471
   93    HB3  ABA  12           1HB      ABU  12  -6.047  -5.319  -2.182
   94    HB2  ABA  12           2HB      ABU  12  -6.666  -5.223  -0.538
   95    HG1  ABA  12           1HG      ABU  12  -4.462  -6.229  -0.571
   96    HG3  ABA  12           3HG      ABU  12  -3.804  -4.800  -1.366
   97    HG2  ABA  12           2HG      ABU  12  -4.426  -4.683   0.278
   98    H    ARG  13           H        ARG  13  -4.829  -1.213  -1.215
   99    HA   ARG  13           HA       ARG  13  -3.810  -1.361  -3.938
  100    HB2  ARG  13           2HB      ARG  13  -3.925   0.910  -1.960
  101    HB3  ARG  13           1HB      ARG  13  -3.053   1.006  -3.477
  102    HG2  ARG  13           2HG      ARG  13  -5.159   0.606  -4.685
  103    HG3  ARG  13           1HG      ARG  13  -6.015   0.574  -3.140
  104    HD2  ARG  13           2HD      ARG  13  -6.198   2.772  -4.210
  105    HD3  ARG  13           1HD      ARG  13  -5.311   2.870  -2.694
  106    HE   ARG  13           HE       ARG  13  -3.598   2.504  -4.935
  107   HH11  ARG  13          1HH1      ARG  13  -5.454   5.042  -3.247
  108   HH12  ARG  13          2HH1      ARG  13  -4.375   6.280  -3.656
  109   HH21  ARG  13          1HH2      ARG  13  -2.156   4.266  -5.516
  110   HH22  ARG  13          2HH2      ARG  13  -2.482   5.842  -4.971
  111    H    CYS  14           H        CYS  14  -1.902  -2.189  -4.189
  112    HA   CYS  14           HA       CYS  14  -0.017  -2.158  -1.965
  113    HB2  CYS  14           2HB      CYS  14   0.007  -3.758  -4.519
  114    HB3  CYS  14           1HB      CYS  14   1.162  -3.894  -3.196
  115    H    VAL  15           H        VAL  15   1.451  -0.743  -1.947
  116    HA   VAL  15           HA       VAL  15   2.265   0.543  -4.466
  117    HB   VAL  15           HB       VAL  15   2.683   1.536  -1.643
  118   HG11  VAL  15          1HG1      VAL  15   3.202   3.696  -2.669
  119   HG12  VAL  15          2HG1      VAL  15   2.988   2.978  -4.268
  120   HG13  VAL  15          3HG1      VAL  15   4.284   2.417  -3.225
  121   HG21  VAL  15          3HG2      VAL  15   0.539   2.387  -3.592
  122   HG22  VAL  15          1HG2      VAL  15   0.875   3.174  -2.050
  123   HG23  VAL  15          2HG2      VAL  15   0.286   1.510  -2.083
  124    H    ABA  16           H        ABU  16   4.340   0.335  -5.022
  125    HA   ABA  16           HA       ABU  16   6.114  -1.098  -3.173
  126    HB3  ABA  16           1HB      ABU  16   6.091  -1.254  -6.199
  127    HB2  ABA  16           2HB      ABU  16   5.411  -2.476  -5.135
  128    HG1  ABA  16           1HG      ABU  16   8.312  -1.686  -5.268
  129    HG3  ABA  16           3HG      ABU  16   7.629  -2.920  -4.211
  130    HG2  ABA  16           2HG      ABU  16   7.598  -3.144  -5.961
  131    H    ARG  17           H        ARG  17   7.548   0.228  -2.445
  132    HA   ARG  17           HA       ARG  17   8.653   2.252  -4.261
  133    HB2  ARG  17           2HB      ARG  17   8.181   2.501  -1.300
  134    HB3  ARG  17           1HB      ARG  17   9.053   3.671  -2.279
  135    HG2  ARG  17           2HG      ARG  17   7.009   4.016  -3.604
  136    HG3  ARG  17           1HG      ARG  17   6.169   2.904  -2.522
  137    HD2  ARG  17           2HD      ARG  17   6.662   4.351  -0.638
  138    HD3  ARG  17           1HD      ARG  17   7.533   5.449  -1.713
  139    HE   ARG  17           HE       ARG  17   5.211   5.462  -2.889
  140   HH11  ARG  17          1HH1      ARG  17   5.879   5.572   0.582
  141   HH12  ARG  17          2HH1      ARG  17   4.482   6.444   0.970
  142   HH21  ARG  17          1HH2      ARG  17   3.352   6.694  -2.394
  143   HH22  ARG  17          2HH2      ARG  17   2.979   7.128  -0.785
  144    H    ARG  18           H        ARG  18  10.459   1.440  -4.856
  145    HA   ARG  18           HA       ARG  18  12.580   0.765  -4.908
  146    HB2  ARG  18           2HB      ARG  18  12.626   2.901  -3.406
  147    HB3  ARG  18           1HB      ARG  18  12.971   1.766  -2.115
  148    HG2  ARG  18           2HG      ARG  18  14.907   0.950  -3.322
  149    HG3  ARG  18           1HG      ARG  18  14.599   2.118  -4.613
  150    HD2  ARG  18           2HD      ARG  18  16.272   3.046  -3.212
  151    HD3  ARG  18           1HD      ARG  18  14.768   3.907  -2.883
  152    HE   ARG  18           HE       ARG  18  15.415   1.643  -1.204
  153   HH11  ARG  18          1HH1      ARG  18  15.180   5.167  -1.501
  154   HH12  ARG  18          2HH1      ARG  18  15.512   5.465   0.140
  155   HH21  ARG  18          1HH2      ARG  18  15.866   2.070   1.050
  156   HH22  ARG  18          2HH2      ARG  18  15.956   3.680   1.603
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  10.610  -1.357  -4.286
    2    HA2  GLY   1           2HA      GLY   1  11.166  -3.583  -3.877
    3    HA3  GLY   1           1HA      GLY   1  12.372  -2.972  -2.752
    4    H    VAL   2           H        VAL   2  10.199  -1.145  -1.645
    5    HA   VAL   2           HA       VAL   2   9.251  -3.084   0.298
    6    HB   VAL   2           HB       VAL   2   8.965  -0.062   0.302
    7   HG11  VAL   2          1HG1      VAL   2   8.523  -2.069   2.510
    8   HG12  VAL   2          2HG1      VAL   2   7.271  -1.146   1.670
    9   HG13  VAL   2          3HG1      VAL   2   8.445  -0.314   2.686
   10   HG21  VAL   2          3HG2      VAL   2  10.960  -1.809   1.744
   11   HG22  VAL   2          1HG2      VAL   2  10.779  -0.069   1.961
   12   HG23  VAL   2          2HG2      VAL   2  11.309  -0.712   0.408
   13    H    ABA   3           H        ABU   3   7.515  -4.132  -0.355
   14    HA   ABA   3           HA       ABU   3   5.422  -2.818  -1.867
   15    HB3  ABA   3           1HB      ABU   3   5.578  -5.640  -0.764
   16    HB2  ABA   3           2HB      ABU   3   6.055  -5.166  -2.388
   17    HG1  ABA   3           1HG      ABU   3   3.757  -4.545  -2.902
   18    HG3  ABA   3           3HG      ABU   3   3.865  -6.227  -2.385
   19    HG2  ABA   3           2HG      ABU   3   3.266  -4.998  -1.273
   20    H    ARG   4           H        ARG   4   4.207  -1.484  -0.720
   21    HA   ARG   4           HA       ARG   4   3.300  -2.362   1.932
   22    HB2  ARG   4           2HB      ARG   4   4.527  -0.200   1.879
   23    HB3  ARG   4           1HB      ARG   4   3.340   0.431   0.752
   24    HG2  ARG   4           2HG      ARG   4   1.593   0.229   2.421
   25    HG3  ARG   4           1HG      ARG   4   2.735  -0.481   3.560
   26    HD2  ARG   4           2HD      ARG   4   2.381   1.859   4.070
   27    HD3  ARG   4           1HD      ARG   4   4.035   1.607   3.531
   28    HE   ARG   4           HE       ARG   4   3.244   2.445   1.313
   29   HH11  ARG   4          1HH1      ARG   4   1.657   3.481   4.292
   30   HH12  ARG   4          2HH1      ARG   4   1.070   4.932   3.672
   31   HH21  ARG   4          1HH2      ARG   4   2.499   4.456   0.441
   32   HH22  ARG   4          2HH2      ARG   4   1.563   5.522   1.385
   33    H    CYS   5           H        CYS   5   1.342  -3.249   1.865
   34    HA   CYS   5           HA       CYS   5  -0.506  -2.387  -0.222
   35    HB2  CYS   5           2HB      CYS   5  -0.668  -4.766   1.618
   36    HB3  CYS   5           1HB      CYS   5  -1.787  -4.395   0.313
   37    H    VAL   6           H        VAL   6  -1.908  -1.000   0.135
   38    HA   VAL   6           HA       VAL   6  -2.823  -0.570   2.898
   39    HB   VAL   6           HB       VAL   6  -2.913   1.380   0.621
   40   HG11  VAL   6          1HG1      VAL   6  -4.601   1.831   2.276
   41   HG12  VAL   6          2HG1      VAL   6  -3.355   3.077   2.368
   42   HG13  VAL   6          3HG1      VAL   6  -3.397   1.780   3.563
   43   HG21  VAL   6          3HG2      VAL   6  -0.906   1.272   2.879
   44   HG22  VAL   6          1HG2      VAL   6  -1.051   2.593   1.721
   45   HG23  VAL   6          2HG2      VAL   6  -0.573   0.983   1.172
   46    H    ABA   7           H        ABU   7  -4.823  -0.959   3.226
   47    HA   ABA   7           HA       ABU   7  -6.646  -1.539   1.022
   48    HB3  ABA   7           1HB      ABU   7  -8.173  -2.352   2.806
   49    HB2  ABA   7           2HB      ABU   7  -6.980  -1.883   4.013
   50    HG1  ABA   7           1HG      ABU   7  -6.894  -4.270   3.598
   51    HG3  ABA   7           3HG      ABU   7  -6.616  -3.976   1.884
   52    HG2  ABA   7           2HG      ABU   7  -5.401  -3.499   3.066
   53    H    ARG   8           H        ARG   8  -7.136   0.395   0.212
   54    HA   ARG   8           HA       ARG   8  -8.094   2.466   2.045
   55    HB2  ARG   8           2HB      ARG   8  -6.205   2.969   0.461
   56    HB3  ARG   8           1HB      ARG   8  -7.324   2.710  -0.866
   57    HG2  ARG   8           2HG      ARG   8  -7.070   5.069  -0.474
   58    HG3  ARG   8           1HG      ARG   8  -8.703   4.581  -0.014
   59    HD2  ARG   8           2HD      ARG   8  -8.058   4.537   2.330
   60    HD3  ARG   8           1HD      ARG   8  -6.392   4.920   1.899
   61    HE   ARG   8           HE       ARG   8  -8.286   6.842   0.965
   62   HH11  ARG   8          1HH1      ARG   8  -6.386   5.864   3.787
   63   HH12  ARG   8          2HH1      ARG   8  -6.303   7.421   4.452
   64   HH21  ARG   8          1HH2      ARG   8  -8.229   8.989   1.911
   65   HH22  ARG   8          2HH2      ARG   8  -7.412   9.238   3.378
   66    H    ARG   9           H        ARG   9 -10.173   1.892   2.362
   67    HA   ARG   9           HA       ARG   9 -12.351   1.605   2.078
   68    HB2  ARG   9           2HB      ARG   9 -12.106   3.974   1.393
   69    HB3  ARG   9           1HB      ARG   9 -11.903   3.475  -0.273
   70    HG2  ARG   9           2HG      ARG   9 -14.168   4.405   0.322
   71    HG3  ARG   9           1HG      ARG   9 -14.185   2.817  -0.442
   72    HD2  ARG   9           2HD      ARG   9 -15.755   2.978   1.455
   73    HD3  ARG   9           1HD      ARG   9 -14.515   1.750   1.686
   74    HE   ARG   9           HE       ARG   9 -13.852   4.269   2.846
   75   HH11  ARG   9          1HH1      ARG   9 -15.621   1.243   3.385
   76   HH12  ARG   9          2HH1      ARG   9 -15.563   1.344   5.087
   77   HH21  ARG   9          1HH2      ARG   9 -13.773   4.372   5.244
   78   HH22  ARG   9          2HH2      ARG   9 -14.503   3.106   6.134
   79    H    GLY  10           H        GLY  10 -11.072  -0.539   1.235
   80    HA2  GLY  10           2HA      GLY  10 -11.971  -2.468   0.361
   81    HA3  GLY  10           1HA      GLY  10 -12.836  -1.449  -0.792
   82    H    VAL  11           H        VAL  11 -10.282   0.048  -1.323
   83    HA   VAL  11           HA       VAL  11  -9.360  -1.781  -3.348
   84    HB   VAL  11           HB       VAL  11  -8.524   1.093  -2.845
   85   HG11  VAL  11          1HG1      VAL  11  -6.848  -0.163  -4.100
   86   HG12  VAL  11          2HG1      VAL  11  -7.640   1.022  -5.137
   87   HG13  VAL  11          3HG1      VAL  11  -8.083  -0.681  -5.248
   88   HG21  VAL  11          3HG2      VAL  11 -10.884   0.984  -3.407
   89   HG22  VAL  11          1HG2      VAL  11 -10.527  -0.024  -4.811
   90   HG23  VAL  11          2HG2      VAL  11  -9.973   1.648  -4.761
   91    H    ABA  12           H        ABU  12  -8.051  -3.246  -2.525
   92    HA   ABA  12           HA       ABU  12  -5.991  -2.586  -0.612
   93    HB3  ABA  12           1HB      ABU  12  -6.433  -5.125  -2.225
   94    HB2  ABA  12           2HB      ABU  12  -7.094  -4.836  -0.621
   95    HG1  ABA  12           1HG      ABU  12  -4.846  -4.746   0.311
   96    HG3  ABA  12           3HG      ABU  12  -5.121  -6.269  -0.537
   97    HG2  ABA  12           2HG      ABU  12  -4.168  -4.996  -1.296
   98    H    ARG  13           H        ARG  13  -4.676  -1.147  -1.539
   99    HA   ARG  13           HA       ARG  13  -3.637  -1.749  -4.199
  100    HB2  ARG  13           2HB      ARG  13  -4.702   0.455  -3.911
  101    HB3  ARG  13           1HB      ARG  13  -3.533   0.844  -2.655
  102    HG2  ARG  13           2HG      ARG  13  -1.722   0.670  -4.272
  103    HG3  ARG  13           1HG      ARG  13  -2.875   0.261  -5.539
  104    HD2  ARG  13           2HD      ARG  13  -2.282   2.576  -5.708
  105    HD3  ARG  13           1HD      ARG  13  -3.964   2.453  -5.194
  106    HE   ARG  13           HE       ARG  13  -2.597   2.680  -2.878
  107   HH11  ARG  13          1HH1      ARG  13  -2.635   4.619  -5.850
  108   HH12  ARG  13          2HH1      ARG  13  -2.246   6.081  -5.063
  109   HH21  ARG  13          1HH2      ARG  13  -2.074   4.746  -1.800
  110   HH22  ARG  13          2HH2      ARG  13  -1.959   6.145  -2.747
  111    H    CYS  14           H        CYS  14  -1.744  -2.640  -4.269
  112    HA   CYS  14           HA       CYS  14   0.091  -2.233  -2.052
  113    HB2  CYS  14           2HB      CYS  14   0.260  -4.170  -4.351
  114    HB3  CYS  14           1HB      CYS  14   1.385  -4.062  -2.996
  115    H    VAL  15           H        VAL  15   1.393  -0.774  -2.096
  116    HA   VAL  15           HA       VAL  15   2.278   0.376  -4.652
  117    HB   VAL  15           HB       VAL  15   2.665   1.494  -1.918
  118   HG11  VAL  15          1HG1      VAL  15   2.958   3.659  -3.075
  119   HG12  VAL  15          2HG1      VAL  15   2.743   2.833  -4.612
  120   HG13  VAL  15          3HG1      VAL  15   4.126   2.439  -3.588
  121   HG21  VAL  15          3HG2      VAL  15   0.358   2.112  -3.764
  122   HG22  VAL  15          1HG2      VAL  15   0.722   3.001  -2.284
  123   HG23  VAL  15          2HG2      VAL  15   0.260   1.300  -2.202
  124    H    ABA  16           H        ABU  16   4.130  -0.301  -5.206
  125    HA   ABA  16           HA       ABU  16   5.989  -1.380  -3.240
  126    HB3  ABA  16           1HB      ABU  16   7.167  -2.334  -5.139
  127    HB2  ABA  16           2HB      ABU  16   6.082  -1.546  -6.267
  128    HG1  ABA  16           1HG      ABU  16   4.221  -2.868  -5.371
  129    HG3  ABA  16           3HG      ABU  16   5.507  -3.882  -6.019
  130    HG2  ABA  16           2HG      ABU  16   5.340  -3.680  -4.275
  131    H    ARG  17           H        ARG  17   7.228   0.067  -2.429
  132    HA   ARG  17           HA       ARG  17   8.283   2.183  -4.165
  133    HB2  ARG  17           2HB      ARG  17   6.911   3.100  -2.383
  134    HB3  ARG  17           1HB      ARG  17   7.792   2.178  -1.178
  135    HG2  ARG  17           2HG      ARG  17   8.475   4.519  -1.139
  136    HG3  ARG  17           1HG      ARG  17   9.810   3.487  -1.646
  137    HD2  ARG  17           2HD      ARG  17   9.341   4.053  -3.986
  138    HD3  ARG  17           1HD      ARG  17   8.034   5.113  -3.464
  139    HE   ARG  17           HE       ARG  17  10.215   5.997  -2.106
  140   HH11  ARG  17          1HH1      ARG  17   9.465   5.494  -5.516
  141   HH12  ARG  17          2HH1      ARG  17  10.470   6.732  -6.094
  142   HH21  ARG  17          1HH2      ARG  17  11.620   7.740  -2.886
  143   HH22  ARG  17          2HH2      ARG  17  11.747   8.040  -4.548
  144    H    ARG  18           H        ARG  18  10.110   1.272  -4.888
  145    HA   ARG  18           HA       ARG  18  12.251   0.645  -4.965
  146    HB2  ARG  18           2HB      ARG  18  12.424   2.822  -3.707
  147    HB3  ARG  18           1HB      ARG  18  12.428   1.910  -2.215
  148    HG2  ARG  18           2HG      ARG  18  14.674   2.592  -2.799
  149    HG3  ARG  18           1HG      ARG  18  14.530   0.836  -2.889
  150    HD2  ARG  18           2HD      ARG  18  14.294   0.957  -5.296
  151    HD3  ARG  18           1HD      ARG  18  14.360   2.716  -5.237
  152    HE   ARG  18           HE       ARG  18  16.591   1.239  -4.139
  153   HH11  ARG  18          1HH1      ARG  18  15.311   3.165  -6.837
  154   HH12  ARG  18          2HH1      ARG  18  16.827   3.401  -7.571
  155   HH21  ARG  18          1HH2      ARG  18  18.707   1.620  -5.169
  156   HH22  ARG  18          2HH2      ARG  18  18.780   2.489  -6.624
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   9.811   0.877  -4.145
    2    HA2  GLY   1           2HA      GLY   1  10.862  -1.043  -4.851
    3    HA3  GLY   1           1HA      GLY   1  11.976  -0.831  -3.505
    4    H    VAL   2           H        VAL   2   9.760  -0.493  -1.574
    5    HA   VAL   2           HA       VAL   2   9.393  -3.342  -1.138
    6    HB   VAL   2           HB       VAL   2   8.931  -1.009   0.727
    7   HG11  VAL   2          1HG1      VAL   2   8.927  -3.974   1.270
    8   HG12  VAL   2          2HG1      VAL   2   7.531  -2.898   1.327
    9   HG13  VAL   2          3HG1      VAL   2   8.836  -2.716   2.501
   10   HG21  VAL   2          3HG2      VAL   2  11.204  -2.992   0.620
   11   HG22  VAL   2          1HG2      VAL   2  10.986  -1.748   1.851
   12   HG23  VAL   2          2HG2      VAL   2  11.294  -1.289   0.174
   13    H    ABA   3           H        ABU   3   7.577  -4.225  -1.731
   14    HA   ABA   3           HA       ABU   3   5.231  -2.583  -2.167
   15    HB3  ABA   3           1HB      ABU   3   5.659  -5.545  -2.587
   16    HB2  ABA   3           2HB      ABU   3   5.836  -4.302  -3.818
   17    HG1  ABA   3           1HG      ABU   3   3.296  -5.027  -2.398
   18    HG3  ABA   3           3HG      ABU   3   3.460  -3.759  -3.611
   19    HG2  ABA   3           2HG      ABU   3   3.720  -5.443  -4.063
   20    H    ARG   4           H        ARG   4   3.746  -2.316  -0.744
   21    HA   ARG   4           HA       ARG   4   3.438  -4.271   1.427
   22    HB2  ARG   4           2HB      ARG   4   3.134  -1.265   1.599
   23    HB3  ARG   4           1HB      ARG   4   2.735  -2.391   2.883
   24    HG2  ARG   4           2HG      ARG   4   5.480  -1.902   1.742
   25    HG3  ARG   4           1HG      ARG   4   4.867  -1.299   3.281
   26    HD2  ARG   4           2HD      ARG   4   5.245  -4.205   2.535
   27    HD3  ARG   4           1HD      ARG   4   6.297  -3.262   3.583
   28    HE   ARG   4           HE       ARG   4   3.491  -3.525   4.356
   29   HH11  ARG   4          1HH1      ARG   4   6.835  -4.558   4.862
   30   HH12  ARG   4          2HH1      ARG   4   6.540  -5.183   6.419
   31   HH21  ARG   4          1HH2      ARG   4   3.087  -4.400   6.486
   32   HH22  ARG   4          2HH2      ARG   4   4.372  -5.068   7.368
   33    H    CYS   5           H        CYS   5   1.414  -4.956   1.715
   34    HA   CYS   5           HA       CYS   5  -0.558  -3.917  -0.108
   35    HB2  CYS   5           2HB      CYS   5  -0.692  -6.273   1.750
   36    HB3  CYS   5           1HB      CYS   5  -1.866  -5.879   0.489
   37    H    VAL   6           H        VAL   6  -1.976  -2.519   0.321
   38    HA   VAL   6           HA       VAL   6  -2.582  -1.861   3.125
   39    HB   VAL   6           HB       VAL   6  -2.007   0.109   0.877
   40   HG11  VAL   6          1HG1      VAL   6  -2.019   1.832   2.621
   41   HG12  VAL   6          2HG1      VAL   6  -2.473   0.605   3.806
   42   HG13  VAL   6          3HG1      VAL   6  -3.570   1.004   2.487
   43   HG21  VAL   6          3HG2      VAL   6   0.052   0.706   2.098
   44   HG22  VAL   6          1HG2      VAL   6   0.067  -0.962   1.526
   45   HG23  VAL   6          2HG2      VAL   6  -0.261  -0.621   3.222
   46    H    ABA   7           H        ABU   7  -4.706  -0.957   3.354
   47    HA   ABA   7           HA       ABU   7  -6.529  -1.528   1.209
   48    HB3  ABA   7           1HB      ABU   7  -7.028  -0.149   3.872
   49    HB2  ABA   7           2HB      ABU   7  -7.063  -1.895   3.670
   50    HG1  ABA   7           1HG      ABU   7  -8.890   0.053   2.305
   51    HG3  ABA   7           3HG      ABU   7  -8.926  -1.701   2.133
   52    HG2  ABA   7           2HG      ABU   7  -9.296  -0.966   3.691
   53    H    ARG   8           H        ARG   8  -6.016  -0.189  -0.389
   54    HA   ARG   8           HA       ARG   8  -5.518   2.642   0.084
   55    HB2  ARG   8           2HB      ARG   8  -3.854   1.299  -1.176
   56    HB3  ARG   8           1HB      ARG   8  -5.087   0.913  -2.362
   57    HG2  ARG   8           2HG      ARG   8  -5.263   3.286  -2.942
   58    HG3  ARG   8           1HG      ARG   8  -4.016   3.655  -1.749
   59    HD2  ARG   8           2HD      ARG   8  -2.453   2.186  -2.982
   60    HD3  ARG   8           1HD      ARG   8  -3.699   1.928  -4.203
   61    HE   ARG   8           HE       ARG   8  -3.409   4.646  -3.910
   62   HH11  ARG   8          1HH1      ARG   8  -1.423   1.925  -5.113
   63   HH12  ARG   8          2HH1      ARG   8  -0.428   2.885  -6.075
   64   HH21  ARG   8          1HH2      ARG   8  -2.022   5.972  -5.257
   65   HH22  ARG   8          2HH2      ARG   8  -0.802   5.252  -6.194
   66    H    ARG   9           H        ARG   9  -7.273   3.827  -0.047
   67    HA   ARG   9           HA       ARG   9  -9.232   4.725  -0.650
   68    HB2  ARG   9           2HB      ARG   9  -8.046   4.753  -2.933
   69    HB3  ARG   9           1HB      ARG   9  -8.926   3.281  -3.299
   70    HG2  ARG   9           2HG      ARG   9 -11.045   4.521  -3.008
   71    HG3  ARG   9           1HG      ARG   9 -10.107   5.999  -2.775
   72    HD2  ARG   9           2HD      ARG   9  -9.075   5.628  -4.998
   73    HD3  ARG   9           1HD      ARG   9 -10.146   4.246  -5.228
   74    HE   ARG   9           HE       ARG   9 -11.191   6.920  -4.707
   75   HH11  ARG   9          1HH1      ARG   9 -11.165   4.017  -6.745
   76   HH12  ARG   9          2HH1      ARG   9 -12.320   4.628  -7.842
   77   HH21  ARG   9          1HH2      ARG   9 -12.779   7.710  -6.219
   78   HH22  ARG   9          2HH2      ARG   9 -13.231   6.765  -7.555
   79    H    GLY  10           H        GLY  10  -9.194   2.445   0.785
   80    HA2  GLY  10           2HA      GLY  10 -10.729   1.001   1.693
   81    HA3  GLY  10           1HA      GLY  10 -11.807   1.502   0.400
   82    H    VAL  11           H        VAL  11  -9.118   0.570  -1.195
   83    HA   VAL  11           HA       VAL  11 -10.195  -2.121  -1.643
   84    HB   VAL  11           HB       VAL  11  -8.414  -0.482  -3.439
   85   HG11  VAL  11          1HG1      VAL  11  -8.261  -2.858  -3.871
   86   HG12  VAL  11          2HG1      VAL  11  -9.124  -2.067  -5.194
   87   HG13  VAL  11          3HG1      VAL  11 -10.015  -2.981  -3.983
   88   HG21  VAL  11          3HG2      VAL  11 -10.555   0.661  -3.195
   89   HG22  VAL  11          1HG2      VAL  11 -11.407  -0.825  -3.617
   90   HG23  VAL  11          2HG2      VAL  11 -10.395  -0.018  -4.817
   91    H    ABA  12           H        ABU  12  -8.887  -3.790  -1.158
   92    HA   ABA  12           HA       ABU  12  -6.307  -3.351  -0.009
   93    HB3  ABA  12           1HB      ABU  12  -7.630  -5.940  -0.873
   94    HB2  ABA  12           2HB      ABU  12  -7.772  -5.217   0.722
   95    HG1  ABA  12           1HG      ABU  12  -5.230  -6.241  -0.524
   96    HG3  ABA  12           3HG      ABU  12  -5.374  -5.517   1.080
   97    HG2  ABA  12           2HG      ABU  12  -6.183  -7.043   0.727
   98    H    ARG  13           H        ARG  13  -4.773  -2.651  -1.320
   99    HA   ARG  13           HA       ARG  13  -4.243  -4.111  -3.808
  100    HB2  ARG  13           2HB      ARG  13  -5.540  -1.913  -4.118
  101    HB3  ARG  13           1HB      ARG  13  -4.118  -1.103  -3.510
  102    HG2  ARG  13           2HG      ARG  13  -4.045  -0.915  -5.865
  103    HG3  ARG  13           1HG      ARG  13  -2.852  -2.140  -5.439
  104    HD2  ARG  13           2HD      ARG  13  -5.660  -2.845  -6.266
  105    HD3  ARG  13           1HD      ARG  13  -4.379  -2.619  -7.443
  106    HE   ARG  13           HE       ARG  13  -3.208  -4.445  -6.122
  107   HH11  ARG  13          1HH1      ARG  13  -6.751  -4.321  -6.467
  108   HH12  ARG  13          2HH1      ARG  13  -6.962  -5.996  -6.420
  109   HH21  ARG  13          1HH2      ARG  13  -3.502  -6.781  -6.065
  110   HH22  ARG  13          2HH2      ARG  13  -5.062  -7.436  -6.188
  111    H    CYS  14           H        CYS  14  -1.968  -4.214  -4.194
  112    HA   CYS  14           HA       CYS  14  -0.440  -3.320  -1.909
  113    HB2  CYS  14           2HB      CYS  14   0.426  -5.266  -4.057
  114    HB3  CYS  14           1HB      CYS  14   1.214  -4.971  -2.510
  115    H    VAL  15           H        VAL  15   0.962  -1.833  -1.925
  116    HA   VAL  15           HA       VAL  15   1.435  -0.480  -4.473
  117    HB   VAL  15           HB       VAL  15   0.017   0.825  -3.026
  118   HG11  VAL  15          1HG1      VAL  15   0.605  -0.103  -0.860
  119   HG12  VAL  15          2HG1      VAL  15   0.742   1.651  -0.821
  120   HG13  VAL  15          3HG1      VAL  15   2.195   0.655  -0.937
  121   HG21  VAL  15          3HG2      VAL  15   2.803   1.987  -3.101
  122   HG22  VAL  15          1HG2      VAL  15   1.326   2.911  -2.832
  123   HG23  VAL  15          2HG2      VAL  15   1.585   2.092  -4.370
  124    H    ABA  16           H        ABU  16   3.427   0.213  -4.922
  125    HA   ABA  16           HA       ABU  16   5.567  -1.077  -3.408
  126    HB3  ABA  16           1HB      ABU  16   5.671   0.227  -6.137
  127    HB2  ABA  16           2HB      ABU  16   5.423  -1.493  -5.860
  128    HG1  ABA  16           1HG      ABU  16   7.718  -1.038  -6.467
  129    HG3  ABA  16           3HG      ABU  16   7.875   0.072  -5.104
  130    HG2  ABA  16           2HG      ABU  16   7.621  -1.647  -4.813
  131    H    ARG  17           H        ARG  17   6.268   0.138  -1.841
  132    HA   ARG  17           HA       ARG  17   6.594   3.003  -2.267
  133    HB2  ARG  17           2HB      ARG  17   6.407   1.339   0.240
  134    HB3  ARG  17           1HB      ARG  17   6.855   3.034   0.225
  135    HG2  ARG  17           2HG      ARG  17   4.669   3.600  -0.725
  136    HG3  ARG  17           1HG      ARG  17   4.226   1.890  -0.688
  137    HD2  ARG  17           2HD      ARG  17   4.358   1.823   1.685
  138    HD3  ARG  17           1HD      ARG  17   5.094   3.422   1.748
  139    HE   ARG  17           HE       ARG  17   2.487   3.358   0.552
  140   HH11  ARG  17          1HH1      ARG  17   4.290   3.722   3.593
  141   HH12  ARG  17          2HH1      ARG  17   3.064   4.592   4.378
  142   HH21  ARG  17          1HH2      ARG  17   0.846   4.562   1.593
  143   HH22  ARG  17          2HH2      ARG  17   1.030   5.119   3.193
  144    H    ARG  18           H        ARG  18   8.513   3.166  -3.196
  145    HA   ARG  18           HA       ARG  18  10.746   3.248  -3.464
  146    HB2  ARG  18           2HB      ARG  18  10.426   4.417  -1.249
  147    HB3  ARG  18           1HB      ARG  18  10.808   2.904  -0.459
  148    HG2  ARG  18           2HG      ARG  18  13.058   2.985  -1.453
  149    HG3  ARG  18           1HG      ARG  18  12.643   4.529  -2.207
  150    HD2  ARG  18           2HD      ARG  18  12.247   5.525  -0.031
  151    HD3  ARG  18           1HD      ARG  18  12.582   3.981   0.748
  152    HE   ARG  18           HE       ARG  18  14.752   4.896  -0.857
  153   HH11  ARG  18          1HH1      ARG  18  13.201   5.317   2.304
  154   HH12  ARG  18          2HH1      ARG  18  14.651   5.736   3.104
  155   HH21  ARG  18          1HH2      ARG  18  16.705   5.470   0.229
  156   HH22  ARG  18          2HH2      ARG  18  16.701   5.843   1.885
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  10.971  -1.644  -4.266
    2    HA2  GLY   1           2HA      GLY   1  10.702  -3.863  -4.008
    3    HA3  GLY   1           1HA      GLY   1  12.072  -3.813  -2.910
    4    H    VAL   2           H        VAL   2  10.036  -1.637  -1.582
    5    HA   VAL   2           HA       VAL   2   8.877  -3.642   0.178
    6    HB   VAL   2           HB       VAL   2   8.971  -0.618   0.482
    7   HG11  VAL   2          1HG1      VAL   2   7.125  -1.600   1.717
    8   HG12  VAL   2          2HG1      VAL   2   8.377  -1.041   2.828
    9   HG13  VAL   2          3HG1      VAL   2   8.220  -2.758   2.470
   10   HG21  VAL   2          3HG2      VAL   2  11.216  -1.545   0.559
   11   HG22  VAL   2          1HG2      VAL   2  10.709  -2.728   1.767
   12   HG23  VAL   2          2HG2      VAL   2  10.724  -1.008   2.162
   13    H    ABA   3           H        ABU   3   6.891  -4.261  -0.247
   14    HA   ABA   3           HA       ABU   3   5.238  -2.670  -2.020
   15    HB3  ABA   3           1HB      ABU   3   4.798  -5.439  -0.876
   16    HB2  ABA   3           2HB      ABU   3   5.503  -5.093  -2.448
   17    HG1  ABA   3           1HG      ABU   3   2.703  -4.411  -1.604
   18    HG3  ABA   3           3HG      ABU   3   3.417  -4.094  -3.184
   19    HG2  ABA   3           2HG      ABU   3   3.174  -5.757  -2.640
   20    H    ARG   4           H        ARG   4   4.394  -1.054  -0.897
   21    HA   ARG   4           HA       ARG   4   3.278  -1.521   1.736
   22    HB2  ARG   4           2HB      ARG   4   4.606   0.534   1.311
   23    HB3  ARG   4           1HB      ARG   4   3.423   1.037   0.114
   24    HG2  ARG   4           2HG      ARG   4   1.740   1.323   1.767
   25    HG3  ARG   4           1HG      ARG   4   2.732   0.531   2.989
   26    HD2  ARG   4           2HD      ARG   4   2.824   2.870   3.410
   27    HD3  ARG   4           1HD      ARG   4   4.375   2.383   2.750
   28    HE   ARG   4           HE       ARG   4   2.384   3.517   0.934
   29   HH11  ARG   4          1HH1      ARG   4   5.497   3.847   2.609
   30   HH12  ARG   4          2HH1      ARG   4   5.926   5.285   1.844
   31   HH21  ARG   4          1HH2      ARG   4   2.943   5.515  -0.085
   32   HH22  ARG   4          2HH2      ARG   4   4.416   6.301   0.253
   33    H    CYS   5           H        CYS   5   1.328  -2.322   1.860
   34    HA   CYS   5           HA       CYS   5  -0.554  -1.774  -0.295
   35    HB2  CYS   5           2HB      CYS   5  -0.542  -3.948   1.783
   36    HB3  CYS   5           1HB      CYS   5  -1.790  -3.716   0.569
   37    H    VAL   6           H        VAL   6  -1.928  -0.358   0.009
   38    HA   VAL   6           HA       VAL   6  -2.776   0.340   2.736
   39    HB   VAL   6           HB       VAL   6  -3.181   1.939   0.254
   40   HG11  VAL   6          1HG1      VAL   6  -3.390   3.853   1.806
   41   HG12  VAL   6          2HG1      VAL   6  -3.203   2.733   3.154
   42   HG13  VAL   6          3HG1      VAL   6  -4.591   2.590   2.075
   43   HG21  VAL   6          3HG2      VAL   6  -1.208   3.308   0.816
   44   HG22  VAL   6          1HG2      VAL   6  -0.779   1.636   0.458
   45   HG23  VAL   6          2HG2      VAL   6  -0.832   2.191   2.131
   46    H    ABA   7           H        ABU   7  -4.711  -0.294   3.182
   47    HA   ABA   7           HA       ABU   7  -6.485  -1.129   1.034
   48    HB3  ABA   7           1HB      ABU   7  -6.115  -2.952   2.519
   49    HB2  ABA   7           2HB      ABU   7  -7.732  -2.353   2.861
   50    HG1  ABA   7           1HG      ABU   7  -6.568  -2.936   4.907
   51    HG3  ABA   7           3HG      ABU   7  -5.297  -1.778   4.520
   52    HG2  ABA   7           2HG      ABU   7  -6.936  -1.213   4.847
   53    H    ARG   8           H        ARG   8  -7.541   0.544   0.391
   54    HA   ARG   8           HA       ARG   8  -8.891   2.192   2.406
   55    HB2  ARG   8           2HB      ARG   8  -7.274   3.428   0.998
   56    HB3  ARG   8           1HB      ARG   8  -8.140   2.926  -0.439
   57    HG2  ARG   8           2HG      ARG   8  -8.703   5.212   0.118
   58    HG3  ARG   8           1HG      ARG   8 -10.120   4.184   0.330
   59    HD2  ARG   8           2HD      ARG   8  -9.670   4.106   2.757
   60    HD3  ARG   8           1HD      ARG   8  -8.283   5.174   2.514
   61    HE   ARG   8           HE       ARG   8 -10.458   6.451   1.416
   62   HH11  ARG   8          1HH1      ARG   8  -9.555   5.306   4.640
   63   HH12  ARG   8          2HH1      ARG   8 -10.486   6.464   5.465
   64   HH21  ARG   8          1HH2      ARG   8 -11.693   8.079   2.562
   65   HH22  ARG   8          2HH2      ARG   8 -11.697   8.103   4.256
   66    H    ARG   9           H        ARG   9 -10.771   1.142   2.657
   67    HA   ARG   9           HA       ARG   9 -12.867   0.418   2.298
   68    HB2  ARG   9           2HB      ARG   9 -13.059   2.816   1.589
   69    HB3  ARG   9           1HB      ARG   9 -12.780   2.307  -0.065
   70    HG2  ARG   9           2HG      ARG   9 -14.832   0.948   0.039
   71    HG3  ARG   9           1HG      ARG   9 -15.124   1.570   1.668
   72    HD2  ARG   9           2HD      ARG   9 -15.270   3.807   0.832
   73    HD3  ARG   9           1HD      ARG   9 -14.819   3.276  -0.787
   74    HE   ARG   9           HE       ARG   9 -17.220   2.262   0.512
   75   HH11  ARG   9          1HH1      ARG   9 -15.702   3.927  -2.234
   76   HH12  ARG   9          2HH1      ARG   9 -17.160   4.113  -3.094
   77   HH21  ARG   9          1HH2      ARG   9 -19.215   2.482  -0.722
   78   HH22  ARG   9          2HH2      ARG   9 -19.167   3.270  -2.231
   79    H    GLY  10           H        GLY  10 -11.211  -1.455   1.513
   80    HA2  GLY  10           2HA      GLY  10 -11.564  -3.456   0.412
   81    HA3  GLY  10           1HA      GLY  10 -12.620  -2.563  -0.669
   82    H    VAL  11           H        VAL  11 -10.453  -0.482  -1.052
   83    HA   VAL  11           HA       VAL  11  -9.204  -1.834  -3.265
   84    HB   VAL  11           HB       VAL  11  -8.968   1.045  -2.326
   85   HG11  VAL  11          1HG1      VAL  11  -8.054   1.516  -4.566
   86   HG12  VAL  11          2HG1      VAL  11  -8.081  -0.216  -4.917
   87   HG13  VAL  11          3HG1      VAL  11  -7.033   0.409  -3.646
   88   HG21  VAL  11          3HG2      VAL  11 -10.642  -0.145  -4.541
   89   HG22  VAL  11          1HG2      VAL  11 -10.480   1.577  -4.192
   90   HG23  VAL  11          2HG2      VAL  11 -11.238   0.504  -3.013
   91    H    ABA  12           H        ABU  12  -7.600  -3.128  -2.658
   92    HA   ABA  12           HA       ABU  12  -5.701  -2.262  -0.648
   93    HB3  ABA  12           1HB      ABU  12  -5.793  -4.849  -2.228
   94    HB2  ABA  12           2HB      ABU  12  -6.538  -4.617  -0.650
   95    HG1  ABA  12           1HG      ABU  12  -4.408  -5.797  -0.472
   96    HG3  ABA  12           3HG      ABU  12  -3.588  -4.430  -1.225
   97    HG2  ABA  12           2HG      ABU  12  -4.352  -4.237   0.350
   98    H    ARG  13           H        ARG  13  -4.888  -0.562  -1.775
   99    HA   ARG  13           HA       ARG  13  -3.596  -0.933  -4.314
  100    HB2  ARG  13           2HB      ARG  13  -4.696   1.176  -3.923
  101    HB3  ARG  13           1HB      ARG  13  -3.777   1.428  -2.452
  102    HG2  ARG  13           2HG      ARG  13  -1.761   1.782  -3.688
  103    HG3  ARG  13           1HG      ARG  13  -2.536   1.292  -5.193
  104    HD2  ARG  13           2HD      ARG  13  -3.344   3.681  -3.534
  105    HD3  ARG  13           1HD      ARG  13  -2.310   3.754  -4.956
  106    HE   ARG  13           HE       ARG  13  -4.181   2.829  -6.218
  107   HH11  ARG  13          1HH1      ARG  13  -4.926   4.489  -3.158
  108   HH12  ARG  13          2HH1      ARG  13  -6.481   4.972  -3.632
  109   HH21  ARG  13          1HH2      ARG  13  -6.352   3.475  -6.849
  110   HH22  ARG  13          2HH2      ARG  13  -7.337   4.346  -5.775
  111    H    CYS  14           H        CYS  14  -1.849  -2.088  -4.268
  112    HA   CYS  14           HA       CYS  14   0.121  -1.671  -2.153
  113    HB2  CYS  14           2HB      CYS  14  -0.065  -3.820  -4.258
  114    HB3  CYS  14           1HB      CYS  14   1.179  -3.714  -3.029
  115    H    VAL  15           H        VAL  15   1.678  -0.397  -2.487
  116    HA   VAL  15           HA       VAL  15   2.569   0.159  -5.245
  117    HB   VAL  15           HB       VAL  15   3.076   1.859  -2.815
  118   HG11  VAL  15          1HG1      VAL  15   4.625   2.258  -4.599
  119   HG12  VAL  15          2HG1      VAL  15   3.543   3.647  -4.456
  120   HG13  VAL  15          3HG1      VAL  15   3.307   2.475  -5.750
  121   HG21  VAL  15          3HG2      VAL  15   1.282   3.396  -3.591
  122   HG22  VAL  15          1HG2      VAL  15   0.668   1.819  -3.094
  123   HG23  VAL  15          2HG2      VAL  15   0.827   2.201  -4.805
  124    H    ABA  16           H        ABU  16   4.571  -0.443  -5.664
  125    HA   ABA  16           HA       ABU  16   6.162  -1.488  -3.482
  126    HB3  ABA  16           1HB      ABU  16   5.921  -3.086  -5.261
  127    HB2  ABA  16           2HB      ABU  16   7.579  -2.504  -5.297
  128    HG1  ABA  16           1HG      ABU  16   6.705  -2.733  -7.541
  129    HG3  ABA  16           3HG      ABU  16   5.389  -1.623  -7.157
  130    HG2  ABA  16           2HG      ABU  16   7.052  -1.044  -7.171
  131    H    ARG  17           H        ARG  17   7.468  -0.168  -2.563
  132    HA   ARG  17           HA       ARG  17   8.870   1.814  -4.217
  133    HB2  ARG  17           2HB      ARG  17   7.170   2.785  -2.646
  134    HB3  ARG  17           1HB      ARG  17   8.082   2.106  -1.306
  135    HG2  ARG  17           2HG      ARG  17   8.598   4.445  -1.539
  136    HG3  ARG  17           1HG      ARG  17  10.014   3.483  -1.967
  137    HD2  ARG  17           2HD      ARG  17   9.709   5.307  -3.554
  138    HD3  ARG  17           1HD      ARG  17   9.476   3.761  -4.351
  139    HE   ARG  17           HE       ARG  17   7.129   5.187  -3.361
  140   HH11  ARG  17          1HH1      ARG  17   9.042   4.164  -6.197
  141   HH12  ARG  17          2HH1      ARG  17   7.795   4.541  -7.292
  142   HH21  ARG  17          1HH2      ARG  17   5.467   5.641  -4.900
  143   HH22  ARG  17          2HH2      ARG  17   5.746   5.364  -6.567
  144    H    ARG  18           H        ARG  18  10.892   1.105  -4.439
  145    HA   ARG  18           HA       ARG  18  12.908   0.158  -4.076
  146    HB2  ARG  18           2HB      ARG  18  13.150   2.058  -2.484
  147    HB3  ARG  18           1HB      ARG  18  12.463   1.074  -1.200
  148    HG2  ARG  18           2HG      ARG  18  14.431  -0.462  -1.450
  149    HG3  ARG  18           1HG      ARG  18  15.110   0.686  -2.602
  150    HD2  ARG  18           2HD      ARG  18  15.241   2.387  -0.928
  151    HD3  ARG  18           1HD      ARG  18  14.350   1.383   0.218
  152    HE   ARG  18           HE       ARG  18  16.774   0.194  -0.759
  153   HH11  ARG  18          1HH1      ARG  18  15.459   2.366   1.697
  154   HH12  ARG  18          2HH1      ARG  18  16.638   1.988   2.866
  155   HH21  ARG  18          1HH2      ARG  18  18.409  -0.321   0.834
  156   HH22  ARG  18          2HH2      ARG  18  18.348   0.410   2.364
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  10.618  -0.657  -4.422
    2    HA2  GLY   1           2HA      GLY   1  10.865  -2.935  -4.479
    3    HA3  GLY   1           1HA      GLY   1  12.242  -2.731  -3.401
    4    H    VAL   2           H        VAL   2  10.299  -0.949  -1.735
    5    HA   VAL   2           HA       VAL   2   9.417  -3.133  -0.064
    6    HB   VAL   2           HB       VAL   2   9.131  -0.138   0.374
    7   HG11  VAL   2          1HG1      VAL   2   7.526  -1.450   1.677
    8   HG12  VAL   2          2HG1      VAL   2   8.737  -0.704   2.722
    9   HG13  VAL   2          3HG1      VAL   2   8.844  -2.420   2.336
   10   HG21  VAL   2          3HG2      VAL   2  11.482  -0.768   0.248
   11   HG22  VAL   2          1HG2      VAL   2  11.224  -2.048   1.433
   12   HG23  VAL   2          2HG2      VAL   2  11.046  -0.360   1.906
   13    H    ABA   3           H        ABU   3   7.600  -4.064  -0.549
   14    HA   ABA   3           HA       ABU   3   5.484  -2.533  -1.848
   15    HB3  ABA   3           1HB      ABU   3   5.867  -5.525  -1.572
   16    HB2  ABA   3           2HB      ABU   3   6.283  -4.578  -2.992
   17    HG1  ABA   3           1HG      ABU   3   3.517  -4.962  -1.885
   18    HG3  ABA   3           3HG      ABU   3   3.935  -4.005  -3.309
   19    HG2  ABA   3           2HG      ABU   3   4.195  -5.753  -3.309
   20    H    ARG   4           H        ARG   4   3.950  -1.832  -0.595
   21    HA   ARG   4           HA       ARG   4   3.211  -3.399   1.781
   22    HB2  ARG   4           2HB      ARG   4   4.403  -1.343   2.411
   23    HB3  ARG   4           1HB      ARG   4   3.263  -0.387   1.483
   24    HG2  ARG   4           2HG      ARG   4   1.487  -0.915   3.011
   25    HG3  ARG   4           1HG      ARG   4   2.515  -2.067   3.870
   26    HD2  ARG   4           2HD      ARG   4   3.017   0.899   3.646
   27    HD3  ARG   4           1HD      ARG   4   2.348   0.081   5.063
   28    HE   ARG   4           HE       ARG   4   4.696  -1.209   4.465
   29   HH11  ARG   4          1HH1      ARG   4   3.850   2.092   5.394
   30   HH12  ARG   4          2HH1      ARG   4   5.310   2.388   6.222
   31   HH21  ARG   4          1HH2      ARG   4   6.681  -0.824   5.558
   32   HH22  ARG   4          2HH2      ARG   4   6.985   0.663   6.323
   33    H    CYS   5           H        CYS   5   1.057  -3.811   2.031
   34    HA   CYS   5           HA       CYS   5  -0.636  -2.934  -0.179
   35    HB2  CYS   5           2HB      CYS   5  -0.987  -5.253   1.704
   36    HB3  CYS   5           1HB      CYS   5  -1.999  -4.884   0.310
   37    H    VAL   6           H        VAL   6  -2.008  -1.494   0.085
   38    HA   VAL   6           HA       VAL   6  -2.914  -0.868   2.808
   39    HB   VAL   6           HB       VAL   6  -2.747   1.008   0.448
   40   HG11  VAL   6          1HG1      VAL   6  -3.270   1.589   3.357
   41   HG12  VAL   6          2HG1      VAL   6  -4.440   1.666   2.045
   42   HG13  VAL   6          3HG1      VAL   6  -3.086   2.804   2.092
   43   HG21  VAL   6          3HG2      VAL   6  -0.815   2.062   1.561
   44   HG22  VAL   6          1HG2      VAL   6  -0.487   0.390   1.108
   45   HG23  VAL   6          2HG2      VAL   6  -0.847   0.793   2.786
   46    H    ABA   7           H        ABU   7  -5.007  -0.801   3.129
   47    HA   ABA   7           HA       ABU   7  -6.812  -1.483   0.939
   48    HB3  ABA   7           1HB      ABU   7  -8.440  -1.976   2.734
   49    HB2  ABA   7           2HB      ABU   7  -7.272  -1.442   3.934
   50    HG1  ABA   7           1HG      ABU   7  -5.788  -3.276   3.324
   51    HG3  ABA   7           3HG      ABU   7  -7.369  -3.863   3.834
   52    HG2  ABA   7           2HG      ABU   7  -6.955  -3.823   2.120
   53    H    ARG   8           H        ARG   8  -6.972   0.443  -0.049
   54    HA   ARG   8           HA       ARG   8  -7.790   2.740   1.547
   55    HB2  ARG   8           2HB      ARG   8  -5.880   3.218   0.181
   56    HB3  ARG   8           1HB      ARG   8  -6.657   2.539  -1.241
   57    HG2  ARG   8           2HG      ARG   8  -8.246   4.349  -1.297
   58    HG3  ARG   8           1HG      ARG   8  -7.608   5.000   0.210
   59    HD2  ARG   8           2HD      ARG   8  -5.976   4.668  -2.296
   60    HD3  ARG   8           1HD      ARG   8  -6.826   6.153  -1.879
   61    HE   ARG   8           HE       ARG   8  -5.436   5.871   0.295
   62   HH11  ARG   8          1HH1      ARG   8  -4.274   5.106  -2.958
   63   HH12  ARG   8          2HH1      ARG   8  -2.698   5.666  -2.700
   64   HH21  ARG   8          1HH2      ARG   8  -3.239   6.707   0.654
   65   HH22  ARG   8          2HH2      ARG   8  -2.100   6.577  -0.624
   66    H    ARG   9           H        ARG   9  -9.827   2.782   1.805
   67    HA   ARG   9           HA       ARG   9 -12.047   2.973   1.466
   68    HB2  ARG   9           2HB      ARG   9 -11.086   4.668  -0.226
   69    HB3  ARG   9           1HB      ARG   9 -11.421   3.463  -1.454
   70    HG2  ARG   9           2HG      ARG   9 -13.795   3.548  -0.879
   71    HG3  ARG   9           1HG      ARG   9 -13.447   4.770   0.347
   72    HD2  ARG   9           2HD      ARG   9 -13.041   5.024  -2.630
   73    HD3  ARG   9           1HD      ARG   9 -14.250   5.849  -1.647
   74    HE   ARG   9           HE       ARG   9 -11.510   6.325  -0.871
   75   HH11  ARG   9          1HH1      ARG   9 -14.248   7.520  -2.773
   76   HH12  ARG   9          2HH1      ARG   9 -13.584   9.070  -2.999
   77   HH21  ARG   9          1HH2      ARG   9 -10.625   8.408  -1.151
   78   HH22  ARG   9          2HH2      ARG   9 -11.424   9.600  -2.074
   79    H    GLY  10           H        GLY  10 -11.013   0.492   1.531
   80    HA2  GLY  10           2HA      GLY  10 -11.907  -1.597   1.371
   81    HA3  GLY  10           1HA      GLY  10 -12.954  -0.962   0.105
   82    H    VAL  11           H        VAL  11 -10.348   0.130  -1.142
   83    HA   VAL  11           HA       VAL  11  -9.936  -2.219  -2.799
   84    HB   VAL  11           HB       VAL  11  -8.890   0.598  -3.202
   85   HG11  VAL  11          1HG1      VAL  11  -8.579  -0.049  -5.515
   86   HG12  VAL  11          2HG1      VAL  11  -9.254  -1.640  -5.175
   87   HG13  VAL  11          3HG1      VAL  11  -7.724  -1.171  -4.452
   88   HG21  VAL  11          3HG2      VAL  11 -10.745   0.941  -4.761
   89   HG22  VAL  11          1HG2      VAL  11 -11.330   0.635  -3.127
   90   HG23  VAL  11          2HG2      VAL  11 -11.392  -0.645  -4.344
   91    H    ABA  12           H        ABU  12  -8.359  -3.523  -2.179
   92    HA   ABA  12           HA       ABU  12  -6.107  -2.515  -0.647
   93    HB3  ABA  12           1HB      ABU  12  -6.828  -5.348  -1.467
   94    HB2  ABA  12           2HB      ABU  12  -7.202  -4.599   0.077
   95    HG1  ABA  12           1HG      ABU  12  -4.440  -5.193  -0.963
   96    HG3  ABA  12           3HG      ABU  12  -4.821  -4.421   0.578
   97    HG2  ABA  12           2HG      ABU  12  -5.312  -6.088   0.285
   98    H    ARG  13           H        ARG  13  -4.578  -1.602  -1.768
   99    HA   ARG  13           HA       ARG  13  -3.599  -2.960  -4.183
  100    HB2  ARG  13           2HB      ARG  13  -3.656   0.023  -3.654
  101    HB3  ARG  13           1HB      ARG  13  -2.839  -0.737  -5.009
  102    HG2  ARG  13           2HG      ARG  13  -5.799  -0.781  -4.480
  103    HG3  ARG  13           1HG      ARG  13  -4.968   0.215  -5.675
  104    HD2  ARG  13           2HD      ARG  13  -4.204  -1.791  -6.831
  105    HD3  ARG  13           1HD      ARG  13  -5.014  -2.807  -5.644
  106    HE   ARG  13           HE       ARG  13  -6.767  -0.951  -6.914
  107   HH11  ARG  13          1HH1      ARG  13  -5.186  -4.085  -7.420
  108   HH12  ARG  13          2HH1      ARG  13  -6.455  -4.717  -8.369
  109   HH21  ARG  13          1HH2      ARG  13  -8.484  -1.849  -8.240
  110   HH22  ARG  13          2HH2      ARG  13  -8.331  -3.459  -8.830
  111    H    CYS  14           H        CYS  14  -1.456  -3.252  -4.331
  112    HA   CYS  14           HA       CYS  14   0.053  -2.559  -1.930
  113    HB2  CYS  14           2HB      CYS  14   0.724  -4.613  -4.029
  114    HB3  CYS  14           1HB      CYS  14   1.493  -4.384  -2.458
  115    H    VAL  15           H        VAL  15   1.354  -1.017  -1.967
  116    HA   VAL  15           HA       VAL  15   2.222  -0.021  -4.567
  117    HB   VAL  15           HB       VAL  15   0.977   1.604  -3.290
  118   HG11  VAL  15          1HG1      VAL  15   3.040   1.272  -1.107
  119   HG12  VAL  15          2HG1      VAL  15   1.336   0.820  -1.018
  120   HG13  VAL  15          3HG1      VAL  15   1.793   2.518  -1.141
  121   HG21  VAL  15          3HG2      VAL  15   3.910   2.298  -3.357
  122   HG22  VAL  15          1HG2      VAL  15   2.596   3.468  -3.212
  123   HG23  VAL  15          2HG2      VAL  15   2.750   2.484  -4.671
  124    H    ABA  16           H        ABU  16   4.273   0.252  -5.005
  125    HA   ABA  16           HA       ABU  16   6.155  -0.985  -3.162
  126    HB3  ABA  16           1HB      ABU  16   5.986  -2.316  -5.144
  127    HB2  ABA  16           2HB      ABU  16   7.515  -1.444  -5.220
  128    HG1  ABA  16           1HG      ABU  16   6.526   0.169  -6.756
  129    HG3  ABA  16           3HG      ABU  16   6.436  -1.472  -7.394
  130    HG2  ABA  16           2HG      ABU  16   5.003  -0.718  -6.702
  131    H    ARG  17           H        ARG  17   7.599   0.238  -2.325
  132    HA   ARG  17           HA       ARG  17   8.438   2.666  -3.732
  133    HB2  ARG  17           2HB      ARG  17   8.032   2.315  -0.758
  134    HB3  ARG  17           1HB      ARG  17   8.762   3.723  -1.511
  135    HG2  ARG  17           2HG      ARG  17   6.646   4.131  -2.711
  136    HG3  ARG  17           1HG      ARG  17   5.924   2.781  -1.832
  137    HD2  ARG  17           2HD      ARG  17   5.382   4.910  -0.776
  138    HD3  ARG  17           1HD      ARG  17   6.389   3.922   0.282
  139    HE   ARG  17           HE       ARG  17   8.083   5.531  -1.204
  140   HH11  ARG  17          1HH1      ARG  17   5.602   6.000   1.249
  141   HH12  ARG  17          2HH1      ARG  17   6.270   7.421   1.889
  142   HH21  ARG  17          1HH2      ARG  17   9.025   7.435  -0.370
  143   HH22  ARG  17          2HH2      ARG  17   8.302   8.292   0.922
  144    H    ARG  18           H        ARG  18  10.306   1.998  -4.504
  145    HA   ARG  18           HA       ARG  18  12.432   1.275  -4.661
  146    HB2  ARG  18           2HB      ARG  18  12.813   3.145  -3.041
  147    HB3  ARG  18           1HB      ARG  18  12.576   2.031  -1.712
  148    HG2  ARG  18           2HG      ARG  18  14.943   2.518  -2.053
  149    HG3  ARG  18           1HG      ARG  18  14.593   0.817  -2.348
  150    HD2  ARG  18           2HD      ARG  18  14.567   1.243  -4.764
  151    HD3  ARG  18           1HD      ARG  18  14.921   2.945  -4.460
  152    HE   ARG  18           HE       ARG  18  16.856   1.419  -3.187
  153   HH11  ARG  18          1HH1      ARG  18  15.850   2.075  -6.518
  154   HH12  ARG  18          2HH1      ARG  18  17.410   1.915  -7.157
  155   HH21  ARG  18          1HH2      ARG  18  19.020   1.189  -4.103
  156   HH22  ARG  18          2HH2      ARG  18  19.239   1.362  -5.782
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  11.099  -0.595  -3.830
    2    HA2  GLY   1           2HA      GLY   1  11.727  -2.757  -3.934
    3    HA3  GLY   1           1HA      GLY   1  12.743  -2.458  -2.531
    4    H    VAL   2           H        VAL   2  10.085  -1.398  -1.243
    5    HA   VAL   2           HA       VAL   2   9.326  -4.055  -0.276
    6    HB   VAL   2           HB       VAL   2   8.824  -1.335   0.936
    7   HG11  VAL   2          1HG1      VAL   2   7.170  -2.972   1.648
    8   HG12  VAL   2          2HG1      VAL   2   8.242  -2.566   2.988
    9   HG13  VAL   2          3HG1      VAL   2   8.452  -4.089   2.122
   10   HG21  VAL   2          3HG2      VAL   2  10.916  -3.391   1.659
   11   HG22  VAL   2          1HG2      VAL   2  10.570  -1.930   2.587
   12   HG23  VAL   2          2HG2      VAL   2  11.203  -1.805   0.946
   13    H    ABA   3           H        ABU   3   7.393  -4.814  -0.910
   14    HA   ABA   3           HA       ABU   3   5.585  -3.158  -2.351
   15    HB3  ABA   3           1HB      ABU   3   5.175  -5.950  -1.231
   16    HB2  ABA   3           2HB      ABU   3   5.812  -5.586  -2.831
   17    HG1  ABA   3           1HG      ABU   3   3.486  -6.218  -2.969
   18    HG3  ABA   3           3HG      ABU   3   3.053  -4.932  -1.843
   19    HG2  ABA   3           2HG      ABU   3   3.693  -4.531  -3.437
   20    H    ARG   4           H        ARG   4   4.494  -1.680  -1.374
   21    HA   ARG   4           HA       ARG   4   3.640  -2.031   1.393
   22    HB2  ARG   4           2HB      ARG   4   5.070  -0.083   0.876
   23    HB3  ARG   4           1HB      ARG   4   3.908   0.449  -0.327
   24    HG2  ARG   4           2HG      ARG   4   2.266   0.870   1.403
   25    HG3  ARG   4           1HG      ARG   4   3.361   0.213   2.623
   26    HD2  ARG   4           2HD      ARG   4   3.889   2.675   0.947
   27    HD3  ARG   4           1HD      ARG   4   3.350   2.668   2.624
   28    HE   ARG   4           HE       ARG   4   5.880   1.350   1.932
   29   HH11  ARG   4          1HH1      ARG   4   4.258   4.095   3.469
   30   HH12  ARG   4          2HH1      ARG   4   5.593   4.531   4.414
   31   HH21  ARG   4          1HH2      ARG   4   7.748   2.003   3.223
   32   HH22  ARG   4          2HH2      ARG   4   7.588   3.312   4.291
   33    H    CYS   5           H        CYS   5   1.647  -2.788   1.526
   34    HA   CYS   5           HA       CYS   5  -0.282  -2.121  -0.557
   35    HB2  CYS   5           2HB      CYS   5  -0.372  -4.320   1.520
   36    HB3  CYS   5           1HB      CYS   5  -1.550  -4.059   0.243
   37    H    VAL   6           H        VAL   6  -1.838  -0.816  -0.152
   38    HA   VAL   6           HA       VAL   6  -2.480  -0.103   2.632
   39    HB   VAL   6           HB       VAL   6  -2.677   1.673   0.194
   40   HG11  VAL   6          1HG1      VAL   6  -4.211   2.304   1.947
   41   HG12  VAL   6          2HG1      VAL   6  -2.926   3.509   1.815
   42   HG13  VAL   6          3HG1      VAL   6  -2.893   2.328   3.123
   43   HG21  VAL   6          3HG2      VAL   6  -0.509   1.677   2.294
   44   HG22  VAL   6          1HG2      VAL   6  -0.704   2.868   1.008
   45   HG23  VAL   6          2HG2      VAL   6  -0.332   1.194   0.605
   46    H    ABA   7           H        ABU   7  -4.631  -0.123   3.080
   47    HA   ABA   7           HA       ABU   7  -6.426  -0.838   0.875
   48    HB3  ABA   7           1HB      ABU   7  -6.741  -1.425   3.823
   49    HB2  ABA   7           2HB      ABU   7  -6.197  -2.593   2.619
   50    HG1  ABA   7           1HG      ABU   7  -8.530  -2.919   3.186
   51    HG3  ABA   7           3HG      ABU   7  -8.893  -1.266   2.701
   52    HG2  ABA   7           2HG      ABU   7  -8.355  -2.435   1.496
   53    H    ARG   8           H        ARG   8  -7.679   0.723   0.293
   54    HA   ARG   8           HA       ARG   8  -8.687   2.521   2.348
   55    HB2  ARG   8           2HB      ARG   8  -6.886   3.651   1.067
   56    HB3  ARG   8           1HB      ARG   8  -7.789   3.366  -0.415
   57    HG2  ARG   8           2HG      ARG   8  -8.095   5.652   0.344
   58    HG3  ARG   8           1HG      ARG   8  -9.614   4.758   0.440
   59    HD2  ARG   8           2HD      ARG   8  -9.297   6.148   2.403
   60    HD3  ARG   8           1HD      ARG   8  -9.280   4.447   2.849
   61    HE   ARG   8           HE       ARG   8  -6.677   5.615   2.382
   62   HH11  ARG   8          1HH1      ARG   8  -9.145   4.897   4.834
   63   HH12  ARG   8          2HH1      ARG   8  -8.087   5.060   6.142
   64   HH21  ARG   8          1HH2      ARG   8  -5.250   5.858   4.195
   65   HH22  ARG   8          2HH2      ARG   8  -5.801   5.624   5.791
   66    H    ARG   9           H        ARG   9 -10.738   2.191   2.477
   67    HA   ARG   9           HA       ARG   9 -12.869   1.799   2.077
   68    HB2  ARG   9           2HB      ARG   9 -12.525   4.001   0.838
   69    HB3  ARG   9           1HB      ARG   9 -12.433   3.065  -0.641
   70    HG2  ARG   9           2HG      ARG   9 -14.655   4.056  -0.312
   71    HG3  ARG   9           1HG      ARG   9 -14.727   2.293  -0.320
   72    HD2  ARG   9           2HD      ARG   9 -14.854   2.223   2.064
   73    HD3  ARG   9           1HD      ARG   9 -14.582   3.963   2.189
   74    HE   ARG   9           HE       ARG   9 -16.846   3.510   0.648
   75   HH11  ARG   9          1HH1      ARG   9 -15.815   2.939   3.992
   76   HH12  ARG   9          2HH1      ARG   9 -17.353   3.156   4.667
   77   HH21  ARG   9          1HH2      ARG   9 -18.954   3.842   1.573
   78   HH22  ARG   9          2HH2      ARG   9 -19.198   3.695   3.258
   79    H    GLY  10           H        GLY  10 -11.504  -0.409   1.802
   80    HA2  GLY  10           2HA      GLY  10 -11.899  -2.529   1.141
   81    HA3  GLY  10           1HA      GLY  10 -13.105  -1.867   0.045
   82    H    VAL  11           H        VAL  11 -10.383  -0.191  -0.689
   83    HA   VAL  11           HA       VAL  11  -9.674  -2.106  -2.781
   84    HB   VAL  11           HB       VAL  11  -9.064   0.867  -2.633
   85   HG11  VAL  11          1HG1      VAL  11  -8.697  -1.089  -4.905
   86   HG12  VAL  11          2HG1      VAL  11  -7.409  -0.361  -3.946
   87   HG13  VAL  11          3HG1      VAL  11  -8.409   0.651  -4.988
   88   HG21  VAL  11          3HG2      VAL  11 -10.750   1.112  -4.405
   89   HG22  VAL  11          1HG2      VAL  11 -11.444   0.488  -2.910
   90   HG23  VAL  11          2HG2      VAL  11 -11.134  -0.604  -4.261
   91    H    ABA  12           H        ABU  12  -8.056  -3.350  -2.102
   92    HA   ABA  12           HA       ABU  12  -5.922  -2.216  -0.484
   93    HB3  ABA  12           1HB      ABU  12  -6.369  -5.066  -1.417
   94    HB2  ABA  12           2HB      ABU  12  -6.892  -4.432   0.139
   95    HG1  ABA  12           1HG      ABU  12  -4.849  -5.726   0.360
   96    HG3  ABA  12           3HG      ABU  12  -4.037  -4.675  -0.802
   97    HG2  ABA  12           2HG      ABU  12  -4.557  -4.033   0.759
   98    H    ARG  13           H        ARG  13  -4.554  -1.126  -1.646
   99    HA   ARG  13           HA       ARG  13  -3.782  -2.129  -4.292
  100    HB2  ARG  13           2HB      ARG  13  -2.971   0.162  -4.741
  101    HB3  ARG  13           1HB      ARG  13  -4.681   0.105  -4.360
  102    HG2  ARG  13           2HG      ARG  13  -4.214   0.883  -2.090
  103    HG3  ARG  13           1HG      ARG  13  -2.488   0.933  -2.464
  104    HD2  ARG  13           2HD      ARG  13  -3.529   3.145  -2.598
  105    HD3  ARG  13           1HD      ARG  13  -2.896   2.631  -4.158
  106    HE   ARG  13           HE       ARG  13  -5.281   1.899  -4.577
  107   HH11  ARG  13          1HH1      ARG  13  -4.442   4.756  -2.641
  108   HH12  ARG  13          2HH1      ARG  13  -5.897   5.550  -2.984
  109   HH21  ARG  13          1HH2      ARG  13  -7.280   3.023  -5.005
  110   HH22  ARG  13          2HH2      ARG  13  -7.546   4.550  -4.303
  111    H    CYS  14           H        CYS  14  -1.793  -2.839  -4.617
  112    HA   CYS  14           HA       CYS  14   0.151  -2.404  -2.487
  113    HB2  CYS  14           2HB      CYS  14  -0.066  -4.631  -4.504
  114    HB3  CYS  14           1HB      CYS  14   1.275  -4.439  -3.380
  115    H    VAL  15           H        VAL  15   1.740  -1.155  -2.888
  116    HA   VAL  15           HA       VAL  15   2.538  -0.658  -5.682
  117    HB   VAL  15           HB       VAL  15   2.595   1.346  -3.408
  118   HG11  VAL  15          1HG1      VAL  15   4.303   1.763  -5.071
  119   HG12  VAL  15          2HG1      VAL  15   3.070   3.020  -5.123
  120   HG13  VAL  15          3HG1      VAL  15   3.087   1.756  -6.352
  121   HG21  VAL  15          3HG2      VAL  15   0.274   0.911  -4.003
  122   HG22  VAL  15          1HG2      VAL  15   0.635   1.204  -5.703
  123   HG23  VAL  15          2HG2      VAL  15   0.741   2.525  -4.539
  124    H    ABA  16           H        ABU  16   4.713  -0.632  -6.030
  125    HA   ABA  16           HA       ABU  16   6.380  -1.748  -3.958
  126    HB3  ABA  16           1HB      ABU  16   7.051  -0.849  -6.778
  127    HB2  ABA  16           2HB      ABU  16   6.661  -2.492  -6.289
  128    HG1  ABA  16           1HG      ABU  16   9.055  -2.172  -6.602
  129    HG3  ABA  16           3HG      ABU  16   9.053  -0.932  -5.351
  130    HG2  ABA  16           2HG      ABU  16   8.668  -2.597  -4.932
  131    H    ARG  17           H        ARG  17   7.177  -0.469  -2.473
  132    HA   ARG  17           HA       ARG  17   7.857   2.283  -3.189
  133    HB2  ARG  17           2HB      ARG  17   5.887   1.926  -1.619
  134    HB3  ARG  17           1HB      ARG  17   7.021   1.218  -0.486
  135    HG2  ARG  17           2HG      ARG  17   6.641   3.475   0.170
  136    HG3  ARG  17           1HG      ARG  17   8.271   3.380  -0.503
  137    HD2  ARG  17           2HD      ARG  17   7.119   5.368  -1.323
  138    HD3  ARG  17           1HD      ARG  17   7.429   4.244  -2.643
  139    HE   ARG  17           HE       ARG  17   4.872   3.734  -1.594
  140   HH11  ARG  17          1HH1      ARG  17   6.549   6.118  -3.585
  141   HH12  ARG  17          2HH1      ARG  17   5.146   6.770  -4.273
  142   HH21  ARG  17          1HH2      ARG  17   2.930   4.564  -2.543
  143   HH22  ARG  17          2HH2      ARG  17   2.975   5.843  -3.654
  144    H    ARG  18           H        ARG  18   9.996   2.022  -3.562
  145    HA   ARG  18           HA       ARG  18  12.181   1.656  -3.259
  146    HB2  ARG  18           2HB      ARG  18  11.737   3.337  -1.483
  147    HB3  ARG  18           1HB      ARG  18  11.457   2.038  -0.343
  148    HG2  ARG  18           2HG      ARG  18  13.665   3.073  -0.066
  149    HG3  ARG  18           1HG      ARG  18  13.774   1.366  -0.493
  150    HD2  ARG  18           2HD      ARG  18  15.408   2.737  -1.697
  151    HD3  ARG  18           1HD      ARG  18  14.282   1.927  -2.778
  152    HE   ARG  18           HE       ARG  18  13.267   4.461  -2.228
  153   HH11  ARG  18          1HH1      ARG  18  16.092   3.094  -3.810
  154   HH12  ARG  18          2HH1      ARG  18  16.257   4.352  -4.950
  155   HH21  ARG  18          1HH2      ARG  18  13.428   6.134  -3.824
  156   HH22  ARG  18          2HH2      ARG  18  14.665   6.103  -4.989
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  11.092  -1.204  -4.454
    2    HA2  GLY   1           2HA      GLY   1  10.929  -3.412  -4.037
    3    HA3  GLY   1           1HA      GLY   1  12.306  -3.235  -2.964
    4    H    VAL   2           H        VAL   2  10.357  -0.980  -1.774
    5    HA   VAL   2           HA       VAL   2   9.363  -2.744   0.274
    6    HB   VAL   2           HB       VAL   2   9.171   0.284   0.082
    7   HG11  VAL   2          1HG1      VAL   2   7.487  -0.652   1.568
    8   HG12  VAL   2          2HG1      VAL   2   8.718   0.203   2.499
    9   HG13  VAL   2          3HG1      VAL   2   8.730  -1.559   2.430
   10   HG21  VAL   2          3HG2      VAL   2  11.158  -1.420   1.594
   11   HG22  VAL   2          1HG2      VAL   2  11.035   0.334   1.689
   12   HG23  VAL   2          2HG2      VAL   2  11.507  -0.438   0.174
   13    H    ABA   3           H        ABU   3   7.513  -3.684  -0.113
   14    HA   ABA   3           HA       ABU   3   5.475  -2.282  -1.689
   15    HB3  ABA   3           1HB      ABU   3   5.757  -5.247  -1.151
   16    HB2  ABA   3           2HB      ABU   3   6.226  -4.428  -2.637
   17    HG1  ABA   3           1HG      ABU   3   3.895  -3.797  -3.031
   18    HG3  ABA   3           3HG      ABU   3   4.089  -5.543  -2.913
   19    HG2  ABA   3           2HG      ABU   3   3.422  -4.643  -1.555
   20    H    ARG   4           H        ARG   4   4.031  -1.388  -0.544
   21    HA   ARG   4           HA       ARG   4   3.220  -2.612   1.999
   22    HB2  ARG   4           2HB      ARG   4   4.256  -0.439   2.315
   23    HB3  ARG   4           1HB      ARG   4   3.174   0.280   1.134
   24    HG2  ARG   4           2HG      ARG   4   1.278  -0.089   2.595
   25    HG3  ARG   4           1HG      ARG   4   2.316  -0.930   3.749
   26    HD2  ARG   4           2HD      ARG   4   1.895   1.370   4.455
   27    HD3  ARG   4           1HD      ARG   4   3.599   1.087   4.104
   28    HE   ARG   4           HE       ARG   4   1.903   2.283   2.046
   29   HH11  ARG   4          1HH1      ARG   4   4.593   2.632   4.351
   30   HH12  ARG   4          2HH1      ARG   4   5.097   4.128   3.714
   31   HH21  ARG   4          1HH2      ARG   4   2.599   4.324   1.221
   32   HH22  ARG   4          2HH2      ARG   4   3.948   5.118   1.887
   33    H    CYS   5           H        CYS   5   1.311  -3.559   1.909
   34    HA   CYS   5           HA       CYS   5  -0.631  -2.655  -0.066
   35    HB2  CYS   5           2HB      CYS   5  -0.555  -5.164   1.619
   36    HB3  CYS   5           1HB      CYS   5  -1.809  -4.755   0.458
   37    H    VAL   6           H        VAL   6  -2.222  -1.456   0.513
   38    HA   VAL   6           HA       VAL   6  -3.291  -1.692   3.193
   39    HB   VAL   6           HB       VAL   6  -1.847   0.160   3.313
   40   HG11  VAL   6          1HG1      VAL   6  -3.236   1.319   0.891
   41   HG12  VAL   6          2HG1      VAL   6  -1.563   0.765   0.991
   42   HG13  VAL   6          3HG1      VAL   6  -2.073   2.197   1.889
   43   HG21  VAL   6          3HG2      VAL   6  -4.698   1.111   3.113
   44   HG22  VAL   6          1HG2      VAL   6  -3.400   2.023   3.885
   45   HG23  VAL   6          2HG2      VAL   6  -3.884   0.458   4.533
   46    H    ABA   7           H        ABU   7  -5.392  -1.638   3.267
   47    HA   ABA   7           HA       ABU   7  -6.770  -1.594   0.717
   48    HB3  ABA   7           1HB      ABU   7  -7.329  -3.533   1.981
   49    HB2  ABA   7           2HB      ABU   7  -8.742  -2.492   2.027
   50    HG1  ABA   7           1HG      ABU   7  -8.136  -1.749   4.268
   51    HG3  ABA   7           3HG      ABU   7  -8.377  -3.492   4.170
   52    HG2  ABA   7           2HG      ABU   7  -6.743  -2.834   4.239
   53    H    ARG   8           H        ARG   8  -7.073   0.318   0.059
   54    HA   ARG   8           HA       ARG   8  -7.998   2.400   1.879
   55    HB2  ARG   8           2HB      ARG   8  -7.098   2.624  -0.995
   56    HB3  ARG   8           1HB      ARG   8  -7.409   3.951   0.109
   57    HG2  ARG   8           2HG      ARG   8  -5.538   3.119   1.532
   58    HG3  ARG   8           1HG      ARG   8  -5.189   1.938   0.268
   59    HD2  ARG   8           2HD      ARG   8  -3.760   3.888   0.034
   60    HD3  ARG   8           1HD      ARG   8  -4.867   3.772  -1.336
   61    HE   ARG   8           HE       ARG   8  -6.032   5.332   0.655
   62   HH11  ARG   8          1HH1      ARG   8  -3.354   5.583  -1.691
   63   HH12  ARG   8          2HH1      ARG   8  -3.431   7.278  -1.778
   64   HH21  ARG   8          1HH2      ARG   8  -6.137   7.656   0.475
   65   HH22  ARG   8          2HH2      ARG   8  -5.034   8.491  -0.512
   66    H    ARG   9           H        ARG   9 -10.087   2.383   2.085
   67    HA   ARG   9           HA       ARG   9 -12.294   2.365   1.715
   68    HB2  ARG   9           2HB      ARG   9 -11.619   4.462   0.477
   69    HB3  ARG   9           1HB      ARG   9 -11.576   3.520  -1.003
   70    HG2  ARG   9           2HG      ARG   9 -13.641   4.821  -0.836
   71    HG3  ARG   9           1HG      ARG   9 -13.983   3.089  -0.791
   72    HD2  ARG   9           2HD      ARG   9 -14.137   3.199   1.651
   73    HD3  ARG   9           1HD      ARG   9 -13.814   4.931   1.584
   74    HE   ARG   9           HE       ARG   9 -15.936   4.857   0.095
   75   HH11  ARG   9          1HH1      ARG   9 -15.349   2.991   3.056
   76   HH12  ARG   9          2HH1      ARG   9 -16.976   2.937   3.515
   77   HH21  ARG   9          1HH2      ARG   9 -18.186   4.764   0.732
   78   HH22  ARG   9          2HH2      ARG   9 -18.636   3.972   2.170
   79    H    GLY  10           H        GLY  10 -11.307  -0.057   1.468
   80    HA2  GLY  10           2HA      GLY  10 -12.162  -2.075   0.886
   81    HA3  GLY  10           1HA      GLY  10 -13.094  -1.244  -0.350
   82    H    VAL  11           H        VAL  11 -10.427   0.001  -1.296
   83    HA   VAL  11           HA       VAL  11  -9.840  -2.224  -3.093
   84    HB   VAL  11           HB       VAL  11  -8.999   0.682  -3.274
   85   HG11  VAL  11          1HG1      VAL  11  -8.816  -1.537  -5.314
   86   HG12  VAL  11          2HG1      VAL  11  -7.467  -0.770  -4.473
   87   HG13  VAL  11          3HG1      VAL  11  -8.434   0.159  -5.616
   88   HG21  VAL  11          3HG2      VAL  11 -10.710   0.882  -5.040
   89   HG22  VAL  11          1HG2      VAL  11 -11.417   0.462  -3.480
   90   HG23  VAL  11          2HG2      VAL  11 -11.216  -0.776  -4.718
   91    H    ABA  12           H        ABU  12  -8.102  -3.424  -2.759
   92    HA   ABA  12           HA       ABU  12  -6.166  -2.643  -0.787
   93    HB3  ABA  12           1HB      ABU  12  -6.239  -5.082  -2.580
   94    HB2  ABA  12           2HB      ABU  12  -6.921  -4.991  -0.958
   95    HG1  ABA  12           1HG      ABU  12  -4.701  -4.618  -0.033
   96    HG3  ABA  12           3HG      ABU  12  -4.772  -6.127  -0.943
   97    HG2  ABA  12           2HG      ABU  12  -4.008  -4.704  -1.652
   98    H    ARG  13           H        ARG  13  -4.665  -1.281  -1.269
   99    HA   ARG  13           HA       ARG  13  -3.596  -1.241  -3.986
  100    HB2  ARG  13           2HB      ARG  13  -4.656   0.838  -3.156
  101    HB3  ARG  13           1HB      ARG  13  -3.486   0.888  -1.847
  102    HG2  ARG  13           2HG      ARG  13  -2.855   2.425  -3.608
  103    HG3  ARG  13           1HG      ARG  13  -1.672   1.121  -3.489
  104    HD2  ARG  13           2HD      ARG  13  -2.247   1.668  -5.828
  105    HD3  ARG  13           1HD      ARG  13  -2.659   0.005  -5.409
  106    HE   ARG  13           HE       ARG  13  -4.786   1.891  -5.043
  107   HH11  ARG  13          1HH1      ARG  13  -3.271  -0.256  -7.430
  108   HH12  ARG  13          2HH1      ARG  13  -4.694  -0.426  -8.355
  109   HH21  ARG  13          1HH2      ARG  13  -6.716   1.635  -6.325
  110   HH22  ARG  13          2HH2      ARG  13  -6.685   0.645  -7.710
  111    H    CYS  14           H        CYS  14  -1.703  -2.257  -4.137
  112    HA   CYS  14           HA       CYS  14   0.110  -2.176  -1.849
  113    HB2  CYS  14           2HB      CYS  14   0.176  -3.994  -4.253
  114    HB3  CYS  14           1HB      CYS  14   1.269  -3.997  -2.869
  115    H    VAL  15           H        VAL  15   1.449  -0.654  -1.997
  116    HA   VAL  15           HA       VAL  15   2.321   0.270  -4.652
  117    HB   VAL  15           HB       VAL  15   2.772   1.650  -2.017
  118   HG11  VAL  15          1HG1      VAL  15   4.342   2.337  -3.713
  119   HG12  VAL  15          2HG1      VAL  15   3.217   3.658  -3.388
  120   HG13  VAL  15          3HG1      VAL  15   3.026   2.674  -4.839
  121   HG21  VAL  15          3HG2      VAL  15   0.581   2.195  -4.023
  122   HG22  VAL  15          1HG2      VAL  15   0.942   3.201  -2.620
  123   HG23  VAL  15          2HG2      VAL  15   0.370   1.548  -2.396
  124    H    ABA  16           H        ABU  16   4.265  -0.157  -5.226
  125    HA   ABA  16           HA       ABU  16   6.164  -1.150  -3.215
  126    HB3  ABA  16           1HB      ABU  16   5.991  -1.962  -6.124
  127    HB2  ABA  16           2HB      ABU  16   5.398  -2.919  -4.775
  128    HG1  ABA  16           1HG      ABU  16   7.533  -3.748  -5.534
  129    HG3  ABA  16           3HG      ABU  16   8.264  -2.164  -5.281
  130    HG2  ABA  16           2HG      ABU  16   7.681  -3.097  -3.901
  131    H    ARG  17           H        ARG  17   7.641   0.245  -2.842
  132    HA   ARG  17           HA       ARG  17   8.888   1.665  -5.067
  133    HB2  ARG  17           2HB      ARG  17   7.324   3.237  -4.064
  134    HB3  ARG  17           1HB      ARG  17   7.967   2.897  -2.469
  135    HG2  ARG  17           2HG      ARG  17  10.033   3.968  -2.991
  136    HG3  ARG  17           1HG      ARG  17   9.577   4.137  -4.688
  137    HD2  ARG  17           2HD      ARG  17   8.118   5.401  -2.372
  138    HD3  ARG  17           1HD      ARG  17   9.291   6.232  -3.397
  139    HE   ARG  17           HE       ARG  17   7.682   5.425  -5.243
  140   HH11  ARG  17          1HH1      ARG  17   6.714   6.739  -2.095
  141   HH12  ARG  17          2HH1      ARG  17   5.207   7.329  -2.642
  142   HH21  ARG  17          1HH2      ARG  17   5.638   6.244  -5.993
  143   HH22  ARG  17          2HH2      ARG  17   4.593   7.076  -4.953
  144    H    ARG  18           H        ARG  18  10.952   1.298  -5.066
  145    HA   ARG  18           HA       ARG  18  13.007   0.655  -4.539
  146    HB2  ARG  18           2HB      ARG  18  12.841   2.763  -3.140
  147    HB3  ARG  18           1HB      ARG  18  12.453   1.751  -1.759
  148    HG2  ARG  18           2HG      ARG  18  14.797   2.423  -1.737
  149    HG3  ARG  18           1HG      ARG  18  14.652   0.674  -1.931
  150    HD2  ARG  18           2HD      ARG  18  16.357   1.638  -3.425
  151    HD3  ARG  18           1HD      ARG  18  15.051   0.881  -4.325
  152    HE   ARG  18           HE       ARG  18  14.737   3.696  -3.842
  153   HH11  ARG  18          1HH1      ARG  18  15.982   1.254  -6.118
  154   HH12  ARG  18          2HH1      ARG  18  15.924   2.297  -7.457
  155   HH21  ARG  18          1HH2      ARG  18  14.697   5.119  -5.728
  156   HH22  ARG  18          2HH2      ARG  18  15.206   4.516  -7.234
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  11.296  -2.047  -3.883
    2    HA2  GLY   1           2HA      GLY   1  11.795  -4.033  -2.802
    3    HA3  GLY   1           1HA      GLY   1  12.888  -3.098  -1.782
    4    H    VAL   2           H        VAL   2  10.752  -1.042  -1.346
    5    HA   VAL   2           HA       VAL   2   9.439  -2.467   0.810
    6    HB   VAL   2           HB       VAL   2   9.416   0.509   0.178
    7   HG11  VAL   2          1HG1      VAL   2   8.414  -0.969   2.623
    8   HG12  VAL   2          2HG1      VAL   2   7.410  -0.171   1.417
    9   HG13  VAL   2          3HG1      VAL   2   8.480   0.785   2.442
   10   HG21  VAL   2          3HG2      VAL   2  11.622  -0.288   0.838
   11   HG22  VAL   2          1HG2      VAL   2  10.933  -1.039   2.277
   12   HG23  VAL   2          2HG2      VAL   2  10.917   0.716   2.103
   13    H    ABA   3           H        ABU   3   7.772  -3.562   0.157
   14    HA   ABA   3           HA       ABU   3   5.850  -2.362  -1.681
   15    HB3  ABA   3           1HB      ABU   3   6.171  -5.213  -0.711
   16    HB2  ABA   3           2HB      ABU   3   6.664  -4.604  -2.286
   17    HG1  ABA   3           1HG      ABU   3   4.594  -5.851  -2.457
   18    HG3  ABA   3           3HG      ABU   3   3.835  -4.783  -1.279
   19    HG2  ABA   3           2HG      ABU   3   4.321  -4.148  -2.845
   20    H    ARG   4           H        ARG   4   4.089  -1.519  -0.851
   21    HA   ARG   4           HA       ARG   4   3.124  -2.551   1.717
   22    HB2  ARG   4           2HB      ARG   4   4.233  -0.349   2.063
   23    HB3  ARG   4           1HB      ARG   4   3.125   0.364   0.899
   24    HG2  ARG   4           2HG      ARG   4   1.234  -0.221   2.342
   25    HG3  ARG   4           1HG      ARG   4   2.353  -0.909   3.517
   26    HD2  ARG   4           2HD      ARG   4   1.716   1.305   4.219
   27    HD3  ARG   4           1HD      ARG   4   3.414   1.314   3.745
   28    HE   ARG   4           HE       ARG   4   2.030   2.043   1.497
   29   HH11  ARG   4          1HH1      ARG   4   2.270   3.344   4.803
   30   HH12  ARG   4          2HH1      ARG   4   1.950   4.940   4.310
   31   HH21  ARG   4          1HH2      ARG   4   1.613   4.268   0.885
   32   HH22  ARG   4          2HH2      ARG   4   1.603   5.467   2.102
   33    H    CYS   5           H        CYS   5   0.979  -2.902   1.800
   34    HA   CYS   5           HA       CYS   5  -0.579  -2.084  -0.518
   35    HB2  CYS   5           2HB      CYS   5  -0.857  -4.541   1.212
   36    HB3  CYS   5           1HB      CYS   5  -1.977  -4.087  -0.071
   37    H    VAL   6           H        VAL   6  -2.104  -0.748  -0.118
   38    HA   VAL   6           HA       VAL   6  -3.022  -0.379   2.648
   39    HB   VAL   6           HB       VAL   6  -3.239   1.544   0.363
   40   HG11  VAL   6          1HG1      VAL   6  -4.865   1.956   2.082
   41   HG12  VAL   6          2HG1      VAL   6  -3.650   3.236   2.116
   42   HG13  VAL   6          3HG1      VAL   6  -3.610   1.948   3.322
   43   HG21  VAL   6          3HG2      VAL   6  -0.883   1.225   0.800
   44   HG22  VAL   6          1HG2      VAL   6  -1.134   1.515   2.521
   45   HG23  VAL   6          2HG2      VAL   6  -1.374   2.824   1.360
   46    H    ABA   7           H        ABU   7  -4.997  -0.903   2.964
   47    HA   ABA   7           HA       ABU   7  -6.797  -1.259   0.675
   48    HB3  ABA   7           1HB      ABU   7  -7.019  -2.571   3.399
   49    HB2  ABA   7           2HB      ABU   7  -6.233  -3.338   2.025
   50    HG1  ABA   7           1HG      ABU   7  -9.127  -2.521   2.133
   51    HG3  ABA   7           3HG      ABU   7  -8.321  -3.330   0.792
   52    HG2  ABA   7           2HG      ABU   7  -8.508  -4.157   2.337
   53    H    ARG   8           H        ARG   8  -8.022   0.418   0.509
   54    HA   ARG   8           HA       ARG   8  -9.079   1.678   2.943
   55    HB2  ARG   8           2HB      ARG   8  -7.244   3.040   2.104
   56    HB3  ARG   8           1HB      ARG   8  -7.941   3.037   0.498
   57    HG2  ARG   8           2HG      ARG   8  -9.839   4.337   1.303
   58    HG3  ARG   8           1HG      ARG   8  -9.166   4.321   2.938
   59    HD2  ARG   8           2HD      ARG   8  -7.204   5.519   2.162
   60    HD3  ARG   8           1HD      ARG   8  -7.803   5.474   0.508
   61    HE   ARG   8           HE       ARG   8  -9.686   6.703   2.223
   62   HH11  ARG   8          1HH1      ARG   8  -6.556   7.353   0.670
   63   HH12  ARG   8          2HH1      ARG   8  -6.832   9.030   0.566
   64   HH21  ARG   8          1HH2      ARG   8 -10.015   8.974   2.101
   65   HH22  ARG   8          2HH2      ARG   8  -8.860   9.991   1.368
   66    H    ARG   9           H        ARG   9 -11.189   1.594   2.914
   67    HA   ARG   9           HA       ARG   9 -13.344   1.590   2.297
   68    HB2  ARG   9           2HB      ARG   9 -12.578   3.790   1.199
   69    HB3  ARG   9           1HB      ARG   9 -12.463   2.891  -0.299
   70    HG2  ARG   9           2HG      ARG   9 -14.526   4.131  -0.277
   71    HG3  ARG   9           1HG      ARG   9 -14.903   2.413  -0.140
   72    HD2  ARG   9           2HD      ARG   9 -15.281   2.616   2.212
   73    HD3  ARG   9           1HD      ARG   9 -14.694   4.278   2.214
   74    HE   ARG   9           HE       ARG   9 -16.921   3.877   0.473
   75   HH11  ARG   9          1HH1      ARG   9 -16.073   4.383   3.878
   76   HH12  ARG   9          2HH1      ARG   9 -17.513   5.186   4.265
   77   HH21  ARG   9          1HH2      ARG   9 -18.942   4.978   1.038
   78   HH22  ARG   9          2HH2      ARG   9 -19.167   5.535   2.624
   79    H    GLY  10           H        GLY  10 -11.793  -0.598   1.867
   80    HA2  GLY  10           2HA      GLY  10 -12.104  -2.713   1.124
   81    HA3  GLY  10           1HA      GLY  10 -13.453  -2.093   0.181
   82    H    VAL  11           H        VAL  11 -10.754  -0.282  -0.538
   83    HA   VAL  11           HA       VAL  11 -10.205  -1.898  -2.912
   84    HB   VAL  11           HB       VAL  11  -9.759   1.074  -2.449
   85   HG11  VAL  11          1HG1      VAL  11  -9.228   1.200  -4.824
   86   HG12  VAL  11          2HG1      VAL  11  -9.476  -0.532  -4.980
   87   HG13  VAL  11          3HG1      VAL  11  -8.130   0.077  -4.014
   88   HG21  VAL  11          3HG2      VAL  11 -11.588   1.407  -4.033
   89   HG22  VAL  11          1HG2      VAL  11 -12.124   0.502  -2.618
   90   HG23  VAL  11          2HG2      VAL  11 -11.818  -0.337  -4.141
   91    H    ABA  12           H        ABU  12  -8.386  -2.974  -2.813
   92    HA   ABA  12           HA       ABU  12  -6.261  -2.120  -1.004
   93    HB3  ABA  12           1HB      ABU  12  -6.611  -4.720  -2.515
   94    HB2  ABA  12           2HB      ABU  12  -7.092  -4.466  -0.843
   95    HG1  ABA  12           1HG      ABU  12  -4.274  -4.316  -1.890
   96    HG3  ABA  12           3HG      ABU  12  -4.775  -4.100  -0.209
   97    HG2  ABA  12           2HG      ABU  12  -4.977  -5.664  -1.002
   98    H    ARG  13           H        ARG  13  -4.565  -1.153  -1.760
   99    HA   ARG  13           HA       ARG  13  -3.787  -1.481  -4.579
  100    HB2  ARG  13           2HB      ARG  13  -3.740   1.056  -2.922
  101    HB3  ARG  13           1HB      ARG  13  -3.095   0.890  -4.549
  102    HG2  ARG  13           2HG      ARG  13  -5.344   0.458  -5.409
  103    HG3  ARG  13           1HG      ARG  13  -5.995   0.576  -3.775
  104    HD2  ARG  13           2HD      ARG  13  -6.314   2.646  -5.089
  105    HD3  ARG  13           1HD      ARG  13  -5.342   2.901  -3.638
  106    HE   ARG  13           HE       ARG  13  -3.425   2.544  -5.341
  107   HH11  ARG  13          1HH1      ARG  13  -6.338   4.514  -5.832
  108   HH12  ARG  13          2HH1      ARG  13  -5.624   5.470  -7.044
  109   HH21  ARG  13          1HH2      ARG  13  -2.449   3.899  -6.930
  110   HH22  ARG  13          2HH2      ARG  13  -3.376   5.113  -7.690
  111    H    CYS  14           H        CYS  14  -1.580  -1.813  -4.856
  112    HA   CYS  14           HA       CYS  14   0.066  -1.733  -2.419
  113    HB2  CYS  14           2HB      CYS  14   0.207  -3.746  -4.675
  114    HB3  CYS  14           1HB      CYS  14   1.282  -3.693  -3.285
  115    H    VAL  15           H        VAL  15   1.982  -0.722  -2.581
  116    HA   VAL  15           HA       VAL  15   2.906   0.093  -5.265
  117    HB   VAL  15           HB       VAL  15   3.396   1.629  -2.696
  118   HG11  VAL  15          1HG1      VAL  15   4.105   3.450  -4.156
  119   HG12  VAL  15          2HG1      VAL  15   3.776   2.446  -5.567
  120   HG13  VAL  15          3HG1      VAL  15   5.051   1.988  -4.442
  121   HG21  VAL  15          3HG2      VAL  15   1.002   1.692  -3.202
  122   HG22  VAL  15          1HG2      VAL  15   1.362   2.277  -4.827
  123   HG23  VAL  15          2HG2      VAL  15   1.745   3.279  -3.424
  124    H    ABA  16           H        ABU  16   5.096  -0.272  -5.664
  125    HA   ABA  16           HA       ABU  16   6.604  -1.590  -3.523
  126    HB3  ABA  16           1HB      ABU  16   7.786  -2.772  -5.334
  127    HB2  ABA  16           2HB      ABU  16   6.752  -2.001  -6.521
  128    HG1  ABA  16           1HG      ABU  16   4.803  -3.121  -5.542
  129    HG3  ABA  16           3HG      ABU  16   6.014  -4.258  -6.127
  130    HG2  ABA  16           2HG      ABU  16   5.868  -3.947  -4.399
  131    H    ARG  17           H        ARG  17   7.742   0.147  -2.761
  132    HA   ARG  17           HA       ARG  17   9.211   1.742  -4.741
  133    HB2  ARG  17           2HB      ARG  17   8.542   2.409  -1.876
  134    HB3  ARG  17           1HB      ARG  17   9.549   3.400  -2.917
  135    HG2  ARG  17           2HG      ARG  17   7.611   3.629  -4.468
  136    HG3  ARG  17           1HG      ARG  17   6.634   2.770  -3.276
  137    HD2  ARG  17           2HD      ARG  17   8.113   5.345  -2.788
  138    HD3  ARG  17           1HD      ARG  17   6.390   5.206  -3.109
  139    HE   ARG  17           HE       ARG  17   6.336   3.792  -1.040
  140   HH11  ARG  17          1HH1      ARG  17   8.779   6.326  -1.425
  141   HH12  ARG  17          2HH1      ARG  17   8.869   6.707   0.223
  142   HH21  ARG  17          1HH2      ARG  17   6.463   4.320   1.256
  143   HH22  ARG  17          2HH2      ARG  17   7.519   5.543   1.782
  144    H    ARG  18           H        ARG  18  10.924   0.593  -5.118
  145    HA   ARG  18           HA       ARG  18  12.970  -0.298  -4.967
  146    HB2  ARG  18           2HB      ARG  18  13.288   2.131  -4.311
  147    HB3  ARG  18           1HB      ARG  18  13.379   1.591  -2.647
  148    HG2  ARG  18           2HG      ARG  18  15.609   1.936  -3.532
  149    HG3  ARG  18           1HG      ARG  18  15.347   0.223  -3.221
  150    HD2  ARG  18           2HD      ARG  18  16.497   0.594  -5.354
  151    HD3  ARG  18           1HD      ARG  18  14.927  -0.162  -5.602
  152    HE   ARG  18           HE       ARG  18  14.719   2.648  -5.795
  153   HH11  ARG  18          1HH1      ARG  18  15.826  -0.166  -7.679
  154   HH12  ARG  18          2HH1      ARG  18  15.677   0.638  -9.168
  155   HH21  ARG  18          1HH2      ARG  18  14.527   3.689  -7.873
  156   HH22  ARG  18          2HH2      ARG  18  14.927   2.840  -9.289
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  10.598  -0.304  -4.223
    2    HA2  GLY   1           2HA      GLY   1  10.588  -2.525  -4.638
    3    HA3  GLY   1           1HA      GLY   1  12.070  -2.628  -3.697
    4    H    VAL   2           H        VAL   2  10.047  -1.150  -1.623
    5    HA   VAL   2           HA       VAL   2   9.384  -3.688  -0.380
    6    HB   VAL   2           HB       VAL   2   9.107  -0.869   0.717
    7   HG11  VAL   2          1HG1      VAL   2   8.850  -1.957   2.903
    8   HG12  VAL   2          2HG1      VAL   2   8.912  -3.537   2.124
    9   HG13  VAL   2          3HG1      VAL   2   7.568  -2.448   1.793
   10   HG21  VAL   2          3HG2      VAL   2  11.233  -2.960   1.180
   11   HG22  VAL   2          1HG2      VAL   2  11.091  -1.440   2.062
   12   HG23  VAL   2          2HG2      VAL   2  11.431  -1.426   0.333
   13    H    ABA   3           H        ABU   3   7.552  -4.564  -0.812
   14    HA   ABA   3           HA       ABU   3   5.423  -3.152  -2.085
   15    HB3  ABA   3           1HB      ABU   3   5.518  -5.973  -1.008
   16    HB2  ABA   3           2HB      ABU   3   5.984  -5.503  -2.635
   17    HG1  ABA   3           1HG      ABU   3   3.693  -4.785  -3.078
   18    HG3  ABA   3           3HG      ABU   3   3.771  -6.487  -2.616
   19    HG2  ABA   3           2HG      ABU   3   3.230  -5.275  -1.448
   20    H    ARG   4           H        ARG   4   4.431  -1.728  -0.853
   21    HA   ARG   4           HA       ARG   4   3.425  -2.584   1.760
   22    HB2  ARG   4           2HB      ARG   4   4.812  -0.528   1.761
   23    HB3  ARG   4           1HB      ARG   4   3.684   0.214   0.632
   24    HG2  ARG   4           2HG      ARG   4   1.897   0.022   2.294
   25    HG3  ARG   4           1HG      ARG   4   3.038  -0.692   3.431
   26    HD2  ARG   4           2HD      ARG   4   4.369   1.359   3.367
   27    HD3  ARG   4           1HD      ARG   4   3.218   2.067   2.234
   28    HE   ARG   4           HE       ARG   4   1.940   1.135   4.587
   29   HH11  ARG   4          1HH1      ARG   4   3.898   3.829   3.408
   30   HH12  ARG   4          2HH1      ARG   4   3.231   4.956   4.488
   31   HH21  ARG   4          1HH2      ARG   4   1.045   2.674   6.072
   32   HH22  ARG   4          2HH2      ARG   4   1.561   4.298   6.002
   33    H    CYS   5           H        CYS   5   1.288  -2.848   1.999
   34    HA   CYS   5           HA       CYS   5  -0.352  -2.270  -0.333
   35    HB2  CYS   5           2HB      CYS   5  -0.830  -4.170   1.953
   36    HB3  CYS   5           1HB      CYS   5  -1.864  -3.967   0.537
   37    H    VAL   6           H        VAL   6  -1.733  -0.769  -0.344
   38    HA   VAL   6           HA       VAL   6  -2.480   0.483   2.190
   39    HB   VAL   6           HB       VAL   6  -2.965   1.480  -0.610
   40   HG11  VAL   6          1HG1      VAL   6  -3.055   2.949   2.018
   41   HG12  VAL   6          2HG1      VAL   6  -4.437   2.459   1.038
   42   HG13  VAL   6          3HG1      VAL   6  -3.316   3.675   0.428
   43   HG21  VAL   6          3HG2      VAL   6  -1.047   3.027  -0.308
   44   HG22  VAL   6          1HG2      VAL   6  -0.550   1.334  -0.300
   45   HG23  VAL   6          2HG2      VAL   6  -0.672   2.223   1.215
   46    H    ABA   7           H        ABU   7  -4.449   0.217   2.849
   47    HA   ABA   7           HA       ABU   7  -6.424  -1.092   1.118
   48    HB3  ABA   7           1HB      ABU   7  -7.355  -2.023   3.222
   49    HB2  ABA   7           2HB      ABU   7  -6.018  -1.309   4.108
   50    HG1  ABA   7           1HG      ABU   7  -5.627  -3.660   3.756
   51    HG3  ABA   7           3HG      ABU   7  -5.805  -3.451   2.016
   52    HG2  ABA   7           2HG      ABU   7  -4.443  -2.704   2.850
   53    H    ARG   8           H        ARG   8  -7.639   0.609   0.481
   54    HA   ARG   8           HA       ARG   8  -8.789   2.203   2.631
   55    HB2  ARG   8           2HB      ARG   8  -6.989   3.543   1.634
   56    HB3  ARG   8           1HB      ARG   8  -7.735   3.377   0.053
   57    HG2  ARG   8           2HG      ARG   8  -9.724   4.563   0.882
   58    HG3  ARG   8           1HG      ARG   8  -8.943   4.750   2.449
   59    HD2  ARG   8           2HD      ARG   8  -8.716   6.781   1.199
   60    HD3  ARG   8           1HD      ARG   8  -7.132   6.016   1.350
   61    HE   ARG   8           HE       ARG   8  -8.242   5.160  -1.042
   62   HH11  ARG   8          1HH1      ARG   8  -7.128   8.212   0.376
   63   HH12  ARG   8          2HH1      ARG   8  -6.730   8.925  -1.115
   64   HH21  ARG   8          1HH2      ARG   8  -7.700   6.176  -3.123
   65   HH22  ARG   8          2HH2      ARG   8  -7.094   7.760  -3.122
   66    H    ARG   9           H        ARG   9 -10.845   2.025   2.597
   67    HA   ARG   9           HA       ARG   9 -12.987   1.817   2.022
   68    HB2  ARG   9           2HB      ARG   9 -12.336   4.033   1.025
   69    HB3  ARG   9           1HB      ARG   9 -12.156   3.215  -0.511
   70    HG2  ARG   9           2HG      ARG   9 -14.494   2.701  -0.585
   71    HG3  ARG   9           1HG      ARG   9 -14.722   3.324   1.052
   72    HD2  ARG   9           2HD      ARG   9 -13.778   4.923  -1.310
   73    HD3  ARG   9           1HD      ARG   9 -15.418   4.947  -0.652
   74    HE   ARG   9           HE       ARG   9 -13.646   5.507   1.422
   75   HH11  ARG   9          1HH1      ARG   9 -14.608   7.053  -1.593
   76   HH12  ARG   9          2HH1      ARG   9 -14.458   8.645  -1.005
   77   HH21  ARG   9          1HH2      ARG   9 -13.395   7.636   2.233
   78   HH22  ARG   9          2HH2      ARG   9 -13.734   8.991   1.259
   79    H    GLY  10           H        GLY  10 -11.704  -0.451   1.642
   80    HA2  GLY  10           2HA      GLY  10 -12.173  -2.502   0.842
   81    HA3  GLY  10           1HA      GLY  10 -13.377  -1.734  -0.185
   82    H    VAL  11           H        VAL  11 -10.425  -0.243  -0.645
   83    HA   VAL  11           HA       VAL  11  -9.822  -1.993  -2.911
   84    HB   VAL  11           HB       VAL  11  -9.217   0.970  -2.658
   85   HG11  VAL  11          1HG1      VAL  11  -8.892  -0.912  -4.991
   86   HG12  VAL  11          2HG1      VAL  11  -7.594  -0.190  -4.039
   87   HG13  VAL  11          3HG1      VAL  11  -8.624   0.828  -5.047
   88   HG21  VAL  11          3HG2      VAL  11 -10.948   1.311  -4.375
   89   HG22  VAL  11          1HG2      VAL  11 -11.621   0.598  -2.910
   90   HG23  VAL  11          2HG2      VAL  11 -11.328  -0.408  -4.326
   91    H    ABA  12           H        ABU  12  -8.048  -3.083  -2.658
   92    HA   ABA  12           HA       ABU  12  -5.962  -2.076  -0.865
   93    HB3  ABA  12           1HB      ABU  12  -6.604  -4.922  -1.698
   94    HB2  ABA  12           2HB      ABU  12  -6.943  -4.200  -0.129
   95    HG1  ABA  12           1HG      ABU  12  -4.204  -4.668  -1.278
   96    HG3  ABA  12           3HG      ABU  12  -4.558  -3.975   0.303
   97    HG2  ABA  12           2HG      ABU  12  -4.995  -5.647  -0.044
   98    H    ARG  13           H        ARG  13  -4.316  -1.286  -1.880
   99    HA   ARG  13           HA       ARG  13  -3.425  -2.534  -4.374
  100    HB2  ARG  13           2HB      ARG  13  -3.677   0.407  -3.764
  101    HB3  ARG  13           1HB      ARG  13  -2.596  -0.191  -5.015
  102    HG2  ARG  13           2HG      ARG  13  -5.560  -0.728  -4.945
  103    HG3  ARG  13           1HG      ARG  13  -4.805   0.573  -5.872
  104    HD2  ARG  13           2HD      ARG  13  -3.499  -1.042  -7.114
  105    HD3  ARG  13           1HD      ARG  13  -4.179  -2.373  -6.186
  106    HE   ARG  13           HE       ARG  13  -6.308  -1.054  -7.319
  107   HH11  ARG  13          1HH1      ARG  13  -3.376  -2.611  -8.562
  108   HH12  ARG  13          2HH1      ARG  13  -4.091  -3.215  -9.965
  109   HH21  ARG  13          1HH2      ARG  13  -7.324  -1.881  -9.249
  110   HH22  ARG  13          2HH2      ARG  13  -6.430  -2.780 -10.380
  111    H    CYS  14           H        CYS  14  -1.462  -3.250  -4.328
  112    HA   CYS  14           HA       CYS  14   0.285  -2.377  -2.153
  113    HB2  CYS  14           2HB      CYS  14   0.499  -4.827  -3.904
  114    HB3  CYS  14           1HB      CYS  14   1.480  -4.452  -2.489
  115    H    VAL  15           H        VAL  15   1.799  -1.075  -2.490
  116    HA   VAL  15           HA       VAL  15   2.794  -0.691  -5.234
  117    HB   VAL  15           HB       VAL  15   2.909   1.308  -2.974
  118   HG11  VAL  15          1HG1      VAL  15   3.313   2.944  -4.766
  119   HG12  VAL  15          2HG1      VAL  15   3.321   1.621  -5.935
  120   HG13  VAL  15          3HG1      VAL  15   4.552   1.693  -4.674
  121   HG21  VAL  15          3HG2      VAL  15   0.553   0.886  -3.483
  122   HG22  VAL  15          1HG2      VAL  15   0.855   1.214  -5.187
  123   HG23  VAL  15          2HG2      VAL  15   1.033   2.503  -4.003
  124    H    ABA  16           H        ABU  16   4.939  -0.894  -5.491
  125    HA   ABA  16           HA       ABU  16   6.478  -1.747  -3.183
  126    HB3  ABA  16           1HB      ABU  16   8.184  -2.422  -4.856
  127    HB2  ABA  16           2HB      ABU  16   7.137  -1.811  -6.133
  128    HG1  ABA  16           1HG      ABU  16   6.506  -4.075  -4.252
  129    HG3  ABA  16           3HG      ABU  16   5.428  -3.446  -5.495
  130    HG2  ABA  16           2HG      ABU  16   6.941  -4.219  -5.958
  131    H    ARG  17           H        ARG  17   6.901   0.072  -2.101
  132    HA   ARG  17           HA       ARG  17   8.177   2.312  -3.464
  133    HB2  ARG  17           2HB      ARG  17   7.255   1.941  -0.609
  134    HB3  ARG  17           1HB      ARG  17   8.148   3.350  -1.152
  135    HG2  ARG  17           2HG      ARG  17   6.326   3.845  -2.753
  136    HG3  ARG  17           1HG      ARG  17   5.424   2.478  -2.096
  137    HD2  ARG  17           2HD      ARG  17   4.727   4.641  -1.114
  138    HD3  ARG  17           1HD      ARG  17   5.362   3.519   0.093
  139    HE   ARG  17           HE       ARG  17   7.445   5.124  -0.849
  140   HH11  ARG  17          1HH1      ARG  17   4.465   5.590   1.011
  141   HH12  ARG  17          2HH1      ARG  17   5.129   6.719   2.088
  142   HH21  ARG  17          1HH2      ARG  17   8.377   6.715   0.658
  143   HH22  ARG  17          2HH2      ARG  17   7.396   7.376   1.871
  144    H    ARG  18           H        ARG  18  10.228   2.162  -3.834
  145    HA   ARG  18           HA       ARG  18  12.408   1.633  -3.758
  146    HB2  ARG  18           2HB      ARG  18  12.234   2.974  -1.579
  147    HB3  ARG  18           1HB      ARG  18  12.108   1.442  -0.736
  148    HG2  ARG  18           2HG      ARG  18  14.343   0.835  -1.684
  149    HG3  ARG  18           1HG      ARG  18  14.464   2.486  -2.298
  150    HD2  ARG  18           2HD      ARG  18  14.212   1.627   0.582
  151    HD3  ARG  18           1HD      ARG  18  15.622   2.335  -0.198
  152    HE   ARG  18           HE       ARG  18  13.793   4.232  -0.588
  153   HH11  ARG  18          1HH1      ARG  18  14.614   2.462   2.374
  154   HH12  ARG  18          2HH1      ARG  18  14.235   3.750   3.405
  155   HH21  ARG  18          1HH2      ARG  18  13.253   5.968   0.820
  156   HH22  ARG  18          2HH2      ARG  18  13.479   5.840   2.493
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  10.775   0.209  -3.827
    2    HA2  GLY   1           2HA      GLY   1  11.220  -1.937  -4.422
    3    HA3  GLY   1           1HA      GLY   1  12.562  -1.874  -3.288
    4    H    VAL   2           H        VAL   2   9.880  -0.959  -1.565
    5    HA   VAL   2           HA       VAL   2   9.552  -3.696  -0.594
    6    HB   VAL   2           HB       VAL   2   8.889  -1.089   0.807
    7   HG11  VAL   2          1HG1      VAL   2   7.458  -2.902   1.556
    8   HG12  VAL   2          2HG1      VAL   2   8.633  -2.488   2.809
    9   HG13  VAL   2          3HG1      VAL   2   8.865  -3.931   1.823
   10   HG21  VAL   2          3HG2      VAL   2  11.286  -1.364   0.559
   11   HG22  VAL   2          1HG2      VAL   2  11.183  -3.002   1.206
   12   HG23  VAL   2          2HG2      VAL   2  10.811  -1.618   2.237
   13    H    ABA   3           H        ABU   3   7.777  -4.708  -1.152
   14    HA   ABA   3           HA       ABU   3   5.560  -3.309  -2.314
   15    HB3  ABA   3           1HB      ABU   3   5.872  -6.244  -1.661
   16    HB2  ABA   3           2HB      ABU   3   6.315  -5.504  -3.193
   17    HG1  ABA   3           1HG      ABU   3   3.965  -4.888  -3.555
   18    HG3  ABA   3           3HG      ABU   3   4.186  -6.629  -3.382
   19    HG2  ABA   3           2HG      ABU   3   3.533  -5.682  -2.041
   20    H    ARG   4           H        ARG   4   4.266  -2.274  -1.049
   21    HA   ARG   4           HA       ARG   4   3.314  -3.538   1.421
   22    HB2  ARG   4           2HB      ARG   4   2.882  -1.242   2.253
   23    HB3  ARG   4           1HB      ARG   4   4.585  -1.565   1.950
   24    HG2  ARG   4           2HG      ARG   4   4.448  -0.314  -0.146
   25    HG3  ARG   4           1HG      ARG   4   2.735  -0.005   0.150
   26    HD2  ARG   4           2HD      ARG   4   4.182   1.900   0.794
   27    HD3  ARG   4           1HD      ARG   4   3.262   1.244   2.148
   28    HE   ARG   4           HE       ARG   4   5.601  -0.106   2.255
   29   HH11  ARG   4          1HH1      ARG   4   4.806   3.343   2.318
   30   HH12  ARG   4          2HH1      ARG   4   6.168   3.732   3.260
   31   HH21  ARG   4          1HH2      ARG   4   7.396   0.474   3.552
   32   HH22  ARG   4          2HH2      ARG   4   7.690   2.101   3.952
   33    H    CYS   5           H        CYS   5   1.058  -2.768   1.943
   34    HA   CYS   5           HA       CYS   5  -0.424  -2.312  -0.518
   35    HB2  CYS   5           2HB      CYS   5  -1.151  -4.391   1.555
   36    HB3  CYS   5           1HB      CYS   5  -2.063  -4.024   0.092
   37    H    VAL   6           H        VAL   6  -1.847  -0.838  -0.404
   38    HA   VAL   6           HA       VAL   6  -2.469   0.362   2.197
   39    HB   VAL   6           HB       VAL   6  -2.996   1.454  -0.543
   40   HG11  VAL   6          1HG1      VAL   6  -4.326   2.486   1.158
   41   HG12  VAL   6          2HG1      VAL   6  -3.127   3.640   0.568
   42   HG13  VAL   6          3HG1      VAL   6  -2.886   2.835   2.119
   43   HG21  VAL   6          3HG2      VAL   6  -0.979   2.871  -0.309
   44   HG22  VAL   6          1HG2      VAL   6  -0.588   1.155  -0.383
   45   HG23  VAL   6          2HG2      VAL   6  -0.560   2.000   1.164
   46    H    ABA   7           H        ABU   7  -4.425   0.045   2.888
   47    HA   ABA   7           HA       ABU   7  -6.444  -1.016   1.078
   48    HB3  ABA   7           1HB      ABU   7  -6.224  -2.435   2.999
   49    HB2  ABA   7           2HB      ABU   7  -7.723  -1.540   3.196
   50    HG1  ABA   7           1HG      ABU   7  -5.142  -0.943   4.605
   51    HG3  ABA   7           3HG      ABU   7  -6.640  -0.029   4.770
   52    HG2  ABA   7           2HG      ABU   7  -6.564  -1.710   5.307
   53    H    ARG   8           H        ARG   8  -7.089   0.722   0.023
   54    HA   ARG   8           HA       ARG   8  -7.970   3.020   1.607
   55    HB2  ARG   8           2HB      ARG   8  -6.242   3.393  -0.153
   56    HB3  ARG   8           1HB      ARG   8  -7.416   2.887  -1.358
   57    HG2  ARG   8           2HG      ARG   8  -8.867   4.748  -0.737
   58    HG3  ARG   8           1HG      ARG   8  -7.690   5.253   0.479
   59    HD2  ARG   8           2HD      ARG   8  -7.249   5.131  -2.505
   60    HD3  ARG   8           1HD      ARG   8  -7.463   6.589  -1.544
   61    HE   ARG   8           HE       ARG   8  -5.164   4.758  -1.390
   62   HH11  ARG   8          1HH1      ARG   8  -6.493   7.997  -0.852
   63   HH12  ARG   8          2HH1      ARG   8  -4.973   8.737  -0.678
   64   HH21  ARG   8          1HH2      ARG   8  -3.099   5.773  -1.154
   65   HH22  ARG   8          2HH2      ARG   8  -2.992   7.451  -0.859
   66    H    ARG   9           H        ARG   9  -9.969   2.586   2.183
   67    HA   ARG   9           HA       ARG   9 -12.173   2.282   2.149
   68    HB2  ARG   9           2HB      ARG   9 -12.016   4.390   0.824
   69    HB3  ARG   9           1HB      ARG   9 -11.986   3.435  -0.647
   70    HG2  ARG   9           2HG      ARG   9 -14.238   2.641  -0.200
   71    HG3  ARG   9           1HG      ARG   9 -14.271   3.533   1.319
   72    HD2  ARG   9           2HD      ARG   9 -13.916   4.767  -1.407
   73    HD3  ARG   9           1HD      ARG   9 -15.436   4.698  -0.522
   74    HE   ARG   9           HE       ARG   9 -13.976   5.912   1.266
   75   HH11  ARG   9          1HH1      ARG   9 -13.980   6.520  -2.228
   76   HH12  ARG   9          2HH1      ARG   9 -13.604   8.157  -2.087
   77   HH21  ARG   9          1HH2      ARG   9 -13.530   8.188   1.462
   78   HH22  ARG   9          2HH2      ARG   9 -13.352   9.143   0.057
   79    H    GLY  10           H        GLY  10 -11.054  -0.012   1.891
   80    HA2  GLY  10           2HA      GLY  10 -11.717  -2.130   1.458
   81    HA3  GLY  10           1HA      GLY  10 -12.942  -1.443   0.396
   82    H    VAL  11           H        VAL  11 -10.263  -0.055  -0.771
   83    HA   VAL  11           HA       VAL  11  -9.802  -2.265  -2.618
   84    HB   VAL  11           HB       VAL  11  -9.136   0.681  -2.944
   85   HG11  VAL  11          1HG1      VAL  11  -7.594  -0.736  -4.193
   86   HG12  VAL  11          2HG1      VAL  11  -8.680   0.099  -5.305
   87   HG13  VAL  11          3HG1      VAL  11  -8.947  -1.605  -4.914
   88   HG21  VAL  11          3HG2      VAL  11 -10.959   0.718  -4.596
   89   HG22  VAL  11          1HG2      VAL  11 -11.549   0.288  -2.991
   90   HG23  VAL  11          2HG2      VAL  11 -11.336  -0.965  -4.209
   91    H    ABA  12           H        ABU  12  -8.206  -3.466  -1.897
   92    HA   ABA  12           HA       ABU  12  -5.972  -2.308  -0.481
   93    HB3  ABA  12           1HB      ABU  12  -6.504  -5.177  -1.311
   94    HB2  ABA  12           2HB      ABU  12  -6.912  -4.473   0.251
   95    HG1  ABA  12           1HG      ABU  12  -4.549  -4.125   0.731
   96    HG3  ABA  12           3HG      ABU  12  -4.895  -5.822   0.385
   97    HG2  ABA  12           2HG      ABU  12  -4.131  -4.811  -0.839
   98    H    ARG  13           H        ARG  13  -4.700  -1.208  -1.749
   99    HA   ARG  13           HA       ARG  13  -3.929  -2.288  -4.363
  100    HB2  ARG  13           2HB      ARG  13  -4.773  -0.005  -4.387
  101    HB3  ARG  13           1HB      ARG  13  -3.603   0.463  -3.164
  102    HG2  ARG  13           2HG      ARG  13  -1.777   0.009  -4.734
  103    HG3  ARG  13           1HG      ARG  13  -2.961  -0.449  -5.956
  104    HD2  ARG  13           2HD      ARG  13  -2.737   2.256  -4.652
  105    HD3  ARG  13           1HD      ARG  13  -2.156   1.836  -6.263
  106    HE   ARG  13           HE       ARG  13  -4.873   1.182  -6.075
  107   HH11  ARG  13          1HH1      ARG  13  -2.775   3.990  -6.278
  108   HH12  ARG  13          2HH1      ARG  13  -3.960   5.011  -6.952
  109   HH21  ARG  13          1HH2      ARG  13  -6.523   2.577  -6.978
  110   HH22  ARG  13          2HH2      ARG  13  -6.135   4.195  -7.330
  111    H    CYS  14           H        CYS  14  -2.048  -3.339  -4.447
  112    HA   CYS  14           HA       CYS  14  -0.091  -2.786  -2.385
  113    HB2  CYS  14           2HB      CYS  14  -0.246  -5.058  -4.379
  114    HB3  CYS  14           1HB      CYS  14   1.008  -4.874  -3.163
  115    H    VAL  15           H        VAL  15   1.707  -1.795  -2.719
  116    HA   VAL  15           HA       VAL  15   2.563  -1.191  -5.424
  117    HB   VAL  15           HB       VAL  15   1.089   0.623  -4.771
  118   HG11  VAL  15          1HG1      VAL  15   1.214   0.520  -2.369
  119   HG12  VAL  15          2HG1      VAL  15   1.612   2.154  -2.902
  120   HG13  VAL  15          3HG1      VAL  15   2.894   1.051  -2.397
  121   HG21  VAL  15          3HG2      VAL  15   2.622   2.560  -5.063
  122   HG22  VAL  15          1HG2      VAL  15   2.941   1.243  -6.189
  123   HG23  VAL  15          2HG2      VAL  15   3.984   1.474  -4.791
  124    H    ABA  16           H        ABU  16   4.698  -0.778  -5.564
  125    HA   ABA  16           HA       ABU  16   6.305  -1.652  -3.291
  126    HB3  ABA  16           1HB      ABU  16   8.124  -1.885  -4.943
  127    HB2  ABA  16           2HB      ABU  16   7.056  -1.277  -6.198
  128    HG1  ABA  16           1HG      ABU  16   7.225  -3.685  -6.323
  129    HG3  ABA  16           3HG      ABU  16   6.687  -3.826  -4.652
  130    HG2  ABA  16           2HG      ABU  16   5.587  -3.214  -5.880
  131    H    ARG  17           H        ARG  17   6.960  -0.090  -2.019
  132    HA   ARG  17           HA       ARG  17   7.896   2.413  -3.246
  133    HB2  ARG  17           2HB      ARG  17   6.068   2.904  -1.712
  134    HB3  ARG  17           1HB      ARG  17   6.831   1.949  -0.443
  135    HG2  ARG  17           2HG      ARG  17   8.666   3.514  -0.304
  136    HG3  ARG  17           1HG      ARG  17   8.020   4.452  -1.637
  137    HD2  ARG  17           2HD      ARG  17   6.670   4.012   1.018
  138    HD3  ARG  17           1HD      ARG  17   7.580   5.451   0.570
  139    HE   ARG  17           HE       ARG  17   5.247   4.674  -1.032
  140   HH11  ARG  17          1HH1      ARG  17   6.845   7.032   1.068
  141   HH12  ARG  17          2HH1      ARG  17   5.602   8.181   0.980
  142   HH21  ARG  17          1HH2      ARG  17   3.539   6.251  -1.186
  143   HH22  ARG  17          2HH2      ARG  17   3.657   7.740  -0.362
  144    H    ARG  18           H        ARG  18   9.972   2.564  -3.339
  145    HA   ARG  18           HA       ARG  18  12.169   2.343  -2.994
  146    HB2  ARG  18           2HB      ARG  18  11.545   3.515  -0.830
  147    HB3  ARG  18           1HB      ARG  18  11.470   1.943  -0.058
  148    HG2  ARG  18           2HG      ARG  18  13.841   1.601  -0.506
  149    HG3  ARG  18           1HG      ARG  18  13.921   3.163  -1.312
  150    HD2  ARG  18           2HD      ARG  18  14.760   3.352   0.956
  151    HD3  ARG  18           1HD      ARG  18  13.264   4.259   0.784
  152    HE   ARG  18           HE       ARG  18  12.758   1.645   1.748
  153   HH11  ARG  18          1HH1      ARG  18  14.027   4.778   2.782
  154   HH12  ARG  18          2HH1      ARG  18  13.547   4.624   4.401
  155   HH21  ARG  18          1HH2      ARG  18  12.124   1.393   4.013
  156   HH22  ARG  18          2HH2      ARG  18  12.419   2.644   5.112
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  10.986  -2.052  -4.348
    2    HA2  GLY   1           2HA      GLY   1  10.862  -4.169  -3.576
    3    HA3  GLY   1           1HA      GLY   1  12.271  -3.817  -2.587
    4    H    VAL   2           H        VAL   2  10.345  -1.389  -1.690
    5    HA   VAL   2           HA       VAL   2   9.274  -2.912   0.540
    6    HB   VAL   2           HB       VAL   2   9.310   0.091   0.108
    7   HG11  VAL   2          1HG1      VAL   2   8.896   0.220   2.520
    8   HG12  VAL   2          2HG1      VAL   2   8.793  -1.532   2.600
    9   HG13  VAL   2          3HG1      VAL   2   7.591  -0.622   1.686
   10   HG21  VAL   2          3HG2      VAL   2  11.196  -1.631   1.716
   11   HG22  VAL   2          1HG2      VAL   2  11.194   0.131   1.667
   12   HG23  VAL   2          2HG2      VAL   2  11.576  -0.789   0.213
   13    H    ABA   3           H        ABU   3   7.288  -3.676   0.347
   14    HA   ABA   3           HA       ABU   3   5.471  -2.309  -1.480
   15    HB3  ABA   3           1HB      ABU   3   5.483  -5.190  -0.560
   16    HB2  ABA   3           2HB      ABU   3   6.020  -4.612  -2.129
   17    HG1  ABA   3           1HG      ABU   3   3.742  -3.874  -2.637
   18    HG3  ABA   3           3HG      ABU   3   3.802  -5.598  -2.272
   19    HG2  ABA   3           2HG      ABU   3   3.208  -4.457  -1.064
   20    H    ARG   4           H        ARG   4   4.227  -1.015  -0.377
   21    HA   ARG   4           HA       ARG   4   3.032  -2.042   2.089
   22    HB2  ARG   4           2HB      ARG   4   3.356   0.799   1.129
   23    HB3  ARG   4           1HB      ARG   4   2.205   0.383   2.384
   24    HG2  ARG   4           2HG      ARG   4   4.094  -0.563   3.710
   25    HG3  ARG   4           1HG      ARG   4   5.195   0.053   2.481
   26    HD2  ARG   4           2HD      ARG   4   4.998   1.568   4.431
   27    HD3  ARG   4           1HD      ARG   4   4.483   2.329   2.925
   28    HE   ARG   4           HE       ARG   4   2.157   1.892   3.658
   29   HH11  ARG   4          1HH1      ARG   4   4.657   2.017   6.214
   30   HH12  ARG   4          2HH1      ARG   4   3.557   2.539   7.399
   31   HH21  ARG   4          1HH2      ARG   4   0.719   2.602   5.298
   32   HH22  ARG   4          2HH2      ARG   4   1.280   2.897   6.881
   33    H    CYS   5           H        CYS   5   1.173  -2.966   1.828
   34    HA   CYS   5           HA       CYS   5  -0.539  -2.072  -0.321
   35    HB2  CYS   5           2HB      CYS   5  -0.818  -4.390   1.576
   36    HB3  CYS   5           1HB      CYS   5  -1.989  -3.971   0.332
   37    H    VAL   6           H        VAL   6  -1.794  -0.596  -0.075
   38    HA   VAL   6           HA       VAL   6  -2.669   0.235   2.591
   39    HB   VAL   6           HB       VAL   6  -3.127   1.680   0.043
   40   HG11  VAL   6          1HG1      VAL   6  -4.294   2.534   1.931
   41   HG12  VAL   6          2HG1      VAL   6  -3.064   3.701   1.442
   42   HG13  VAL   6          3HG1      VAL   6  -2.794   2.671   2.849
   43   HG21  VAL   6          3HG2      VAL   6  -1.002   2.985   0.381
   44   HG22  VAL   6          1HG2      VAL   6  -0.760   1.290  -0.050
   45   HG23  VAL   6          2HG2      VAL   6  -0.559   1.804   1.618
   46    H    ABA   7           H        ABU   7  -4.529  -0.563   3.034
   47    HA   ABA   7           HA       ABU   7  -6.427  -1.262   0.921
   48    HB3  ABA   7           1HB      ABU   7  -7.543  -2.617   2.682
   49    HB2  ABA   7           2HB      ABU   7  -6.294  -2.118   3.809
   50    HG1  ABA   7           1HG      ABU   7  -4.605  -3.219   2.423
   51    HG3  ABA   7           3HG      ABU   7  -5.853  -4.343   2.961
   52    HG2  ABA   7           2HG      ABU   7  -5.870  -3.737   1.307
   53    H    ARG   8           H        ARG   8  -7.910   0.176   0.537
   54    HA   ARG   8           HA       ARG   8  -9.029   1.653   2.772
   55    HB2  ARG   8           2HB      ARG   8  -9.062   3.707   1.334
   56    HB3  ARG   8           1HB      ARG   8  -7.485   3.208   1.915
   57    HG2  ARG   8           2HG      ARG   8  -6.917   2.317  -0.243
   58    HG3  ARG   8           1HG      ARG   8  -8.547   2.630  -0.844
   59    HD2  ARG   8           2HD      ARG   8  -6.967   4.329  -1.607
   60    HD3  ARG   8           1HD      ARG   8  -8.198   5.023  -0.555
   61    HE   ARG   8           HE       ARG   8  -6.145   4.449   1.122
   62   HH11  ARG   8          1HH1      ARG   8  -6.442   6.369  -1.831
   63   HH12  ARG   8          2HH1      ARG   8  -5.228   7.474  -1.430
   64   HH21  ARG   8          1HH2      ARG   8  -4.460   5.953   1.705
   65   HH22  ARG   8          2HH2      ARG   8  -4.052   7.215   0.639
   66    H    ARG   9           H        ARG   9 -10.966   0.991   2.866
   67    HA   ARG   9           HA       ARG   9 -13.125   0.552   2.449
   68    HB2  ARG   9           2HB      ARG   9 -12.900   3.028   1.893
   69    HB3  ARG   9           1HB      ARG   9 -12.852   2.551   0.207
   70    HG2  ARG   9           2HG      ARG   9 -15.092   1.592   0.417
   71    HG3  ARG   9           1HG      ARG   9 -15.140   2.105   2.104
   72    HD2  ARG   9           2HD      ARG   9 -14.816   4.435   1.374
   73    HD3  ARG   9           1HD      ARG   9 -14.868   3.896  -0.302
   74    HE   ARG   9           HE       ARG   9 -17.144   3.063   1.175
   75   HH11  ARG   9          1HH1      ARG   9 -15.767   5.815  -0.562
   76   HH12  ARG   9          2HH1      ARG   9 -17.270   6.559  -0.868
   77   HH21  ARG   9          1HH2      ARG   9 -19.217   4.091   0.725
   78   HH22  ARG   9          2HH2      ARG   9 -19.252   5.589  -0.096
   79    H    GLY  10           H        GLY  10 -11.561  -1.360   1.419
   80    HA2  GLY  10           2HA      GLY  10 -12.151  -3.274   0.299
   81    HA3  GLY  10           1HA      GLY  10 -13.227  -2.282  -0.672
   82    H    VAL  11           H        VAL  11 -10.686  -0.453  -0.954
   83    HA   VAL  11           HA       VAL  11  -9.709  -1.929  -3.287
   84    HB   VAL  11           HB       VAL  11  -9.390   1.026  -2.689
   85   HG11  VAL  11          1HG1      VAL  11  -8.879  -0.576  -5.189
   86   HG12  VAL  11          2HG1      VAL  11  -7.665   0.200  -4.169
   87   HG13  VAL  11          3HG1      VAL  11  -8.808   1.179  -5.090
   88   HG21  VAL  11          3HG2      VAL  11 -11.753   0.485  -3.015
   89   HG22  VAL  11          1HG2      VAL  11 -11.365  -0.333  -4.530
   90   HG23  VAL  11          2HG2      VAL  11 -11.125   1.408  -4.384
   91    H    ABA  12           H        ABU  12  -7.797  -2.842  -3.113
   92    HA   ABA  12           HA       ABU  12  -5.971  -1.922  -1.039
   93    HB3  ABA  12           1HB      ABU  12  -6.004  -4.491  -2.637
   94    HB2  ABA  12           2HB      ABU  12  -6.590  -4.308  -0.988
   95    HG1  ABA  12           1HG      ABU  12  -3.739  -3.971  -1.898
   96    HG3  ABA  12           3HG      ABU  12  -4.318  -3.769  -0.245
   97    HG2  ABA  12           2HG      ABU  12  -4.399  -5.352  -1.018
   98    H    ARG  13           H        ARG  13  -4.563  -0.509  -1.715
   99    HA   ARG  13           HA       ARG  13  -3.474  -0.724  -4.423
  100    HB2  ARG  13           2HB      ARG  13  -3.533   1.568  -2.465
  101    HB3  ARG  13           1HB      ARG  13  -2.535   1.582  -3.909
  102    HG2  ARG  13           2HG      ARG  13  -4.529   1.426  -5.303
  103    HG3  ARG  13           1HG      ARG  13  -5.544   1.372  -3.860
  104    HD2  ARG  13           2HD      ARG  13  -5.419   3.633  -4.888
  105    HD3  ARG  13           1HD      ARG  13  -4.851   3.587  -3.221
  106    HE   ARG  13           HE       ARG  13  -2.761   3.248  -5.154
  107   HH11  ARG  13          1HH1      ARG  13  -4.737   5.746  -3.622
  108   HH12  ARG  13          2HH1      ARG  13  -3.524   6.928  -3.624
  109   HH21  ARG  13          1HH2      ARG  13  -1.058   4.912  -5.178
  110   HH22  ARG  13          2HH2      ARG  13  -1.395   6.434  -4.490
  111    H    CYS  14           H        CYS  14  -1.665  -1.927  -4.429
  112    HA   CYS  14           HA       CYS  14   0.123  -1.737  -2.122
  113    HB2  CYS  14           2HB      CYS  14   0.138  -3.735  -4.380
  114    HB3  CYS  14           1HB      CYS  14   1.216  -3.727  -2.992
  115    H    VAL  15           H        VAL  15   1.659  -0.435  -2.205
  116    HA   VAL  15           HA       VAL  15   2.701   0.430  -4.812
  117    HB   VAL  15           HB       VAL  15   3.290   1.661  -2.134
  118   HG11  VAL  15          1HG1      VAL  15   3.860   3.670  -3.450
  119   HG12  VAL  15          2HG1      VAL  15   3.553   2.751  -4.924
  120   HG13  VAL  15          3HG1      VAL  15   4.858   2.270  -3.845
  121   HG21  VAL  15          3HG2      VAL  15   0.876   1.788  -2.418
  122   HG22  VAL  15          1HG2      VAL  15   1.083   2.469  -4.031
  123   HG23  VAL  15          2HG2      VAL  15   1.584   3.393  -2.616
  124    H    ABA  16           H        ABU  16   4.659  -0.163  -5.361
  125    HA   ABA  16           HA       ABU  16   6.350  -1.531  -3.396
  126    HB3  ABA  16           1HB      ABU  16   7.298  -2.733  -5.341
  127    HB2  ABA  16           2HB      ABU  16   6.138  -1.927  -6.386
  128    HG1  ABA  16           1HG      ABU  16   5.467  -3.847  -4.173
  129    HG3  ABA  16           3HG      ABU  16   4.305  -3.016  -5.206
  130    HG2  ABA  16           2HG      ABU  16   5.430  -4.184  -5.900
  131    H    ARG  17           H        ARG  17   7.669   0.103  -2.774
  132    HA   ARG  17           HA       ARG  17   9.066   1.492  -4.948
  133    HB2  ARG  17           2HB      ARG  17   7.599   2.969  -3.514
  134    HB3  ARG  17           1HB      ARG  17   8.648   2.585  -2.158
  135    HG2  ARG  17           2HG      ARG  17  10.549   3.562  -3.312
  136    HG3  ARG  17           1HG      ARG  17   9.533   3.912  -4.707
  137    HD2  ARG  17           2HD      ARG  17   9.775   5.926  -3.445
  138    HD3  ARG  17           1HD      ARG  17   8.127   5.351  -3.241
  139    HE   ARG  17           HE       ARG  17   8.768   4.513  -1.063
  140   HH11  ARG  17          1HH1      ARG  17  10.887   6.942  -2.559
  141   HH12  ARG  17          2HH1      ARG  17  11.595   7.450  -1.112
  142   HH21  ARG  17          1HH2      ARG  17   9.779   5.251   1.000
  143   HH22  ARG  17          2HH2      ARG  17  10.939   6.477   0.935
  144    H    ARG  18           H        ARG  18  10.932   0.656  -5.194
  145    HA   ARG  18           HA       ARG  18  12.868  -0.385  -4.926
  146    HB2  ARG  18           2HB      ARG  18  13.406   1.866  -3.938
  147    HB3  ARG  18           1HB      ARG  18  13.090   1.196  -2.344
  148    HG2  ARG  18           2HG      ARG  18  15.466   1.229  -2.709
  149    HG3  ARG  18           1HG      ARG  18  14.910  -0.447  -2.719
  150    HD2  ARG  18           2HD      ARG  18  14.819  -0.255  -5.254
  151    HD3  ARG  18           1HD      ARG  18  15.678   1.269  -5.072
  152    HE   ARG  18           HE       ARG  18  16.650  -1.387  -4.359
  153   HH11  ARG  18          1HH1      ARG  18  17.360   2.013  -5.053
  154   HH12  ARG  18          2HH1      ARG  18  19.045   1.784  -5.138
  155   HH21  ARG  18          1HH2      ARG  18  18.959  -1.702  -4.572
  156   HH22  ARG  18          2HH2      ARG  18  19.977  -0.375  -4.855
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  10.468  -0.429  -4.602
    2    HA2  GLY   1           2HA      GLY   1  10.655  -2.581  -5.373
    3    HA3  GLY   1           1HA      GLY   1  12.022  -2.755  -4.282
    4    H    VAL   2           H        VAL   2   9.995  -1.565  -2.179
    5    HA   VAL   2           HA       VAL   2   8.961  -4.210  -1.453
    6    HB   VAL   2           HB       VAL   2   9.501  -1.794   0.296
    7   HG11  VAL   2          1HG1      VAL   2   9.162  -3.352   2.162
    8   HG12  VAL   2          2HG1      VAL   2   8.683  -4.597   1.004
    9   HG13  VAL   2          3HG1      VAL   2   7.707  -3.139   1.186
   10   HG21  VAL   2          3HG2      VAL   2  11.568  -2.762  -0.506
   11   HG22  VAL   2          1HG2      VAL   2  11.047  -4.365   0.007
   12   HG23  VAL   2          2HG2      VAL   2  11.364  -3.111   1.210
   13    H    ABA   3           H        ABU   3   6.747  -4.434  -1.866
   14    HA   ABA   3           HA       ABU   3   5.211  -2.097  -2.117
   15    HB3  ABA   3           1HB      ABU   3   5.039  -4.104  -3.595
   16    HB2  ABA   3           2HB      ABU   3   3.545  -3.523  -2.909
   17    HG1  ABA   3           1HG      ABU   3   3.511  -5.351  -1.318
   18    HG3  ABA   3           3HG      ABU   3   3.683  -5.994  -2.953
   19    HG2  ABA   3           2HG      ABU   3   5.080  -5.897  -1.872
   20    H    ARG   4           H        ARG   4   3.974  -1.243  -0.691
   21    HA   ARG   4           HA       ARG   4   3.457  -2.660   1.813
   22    HB2  ARG   4           2HB      ARG   4   3.530   0.307   1.221
   23    HB3  ARG   4           1HB      ARG   4   3.025  -0.375   2.767
   24    HG2  ARG   4           2HG      ARG   4   5.207  -1.403   3.052
   25    HG3  ARG   4           1HG      ARG   4   5.713  -0.778   1.488
   26    HD2  ARG   4           2HD      ARG   4   5.526   1.498   2.322
   27    HD3  ARG   4           1HD      ARG   4   4.945   0.892   3.882
   28    HE   ARG   4           HE       ARG   4   7.219  -0.431   3.573
   29   HH11  ARG   4          1HH1      ARG   4   6.548   3.054   3.455
   30   HH12  ARG   4          2HH1      ARG   4   8.125   3.518   3.853
   31   HH21  ARG   4          1HH2      ARG   4   9.384   0.214   4.141
   32   HH22  ARG   4          2HH2      ARG   4   9.780   1.862   4.250
   33    H    CYS   5           H        CYS   5   1.441  -3.174   2.295
   34    HA   CYS   5           HA       CYS   5  -0.530  -2.536   0.231
   35    HB2  CYS   5           2HB      CYS   5  -0.436  -4.867   2.124
   36    HB3  CYS   5           1HB      CYS   5  -1.583  -4.626   0.803
   37    H    VAL   6           H        VAL   6  -2.180  -1.376   0.683
   38    HA   VAL   6           HA       VAL   6  -3.095  -1.117   3.454
   39    HB   VAL   6           HB       VAL   6  -2.895   1.155   1.453
   40   HG11  VAL   6          1HG1      VAL   6  -3.476   2.641   3.310
   41   HG12  VAL   6          2HG1      VAL   6  -3.650   1.246   4.369
   42   HG13  VAL   6          3HG1      VAL   6  -4.744   1.452   3.002
   43   HG21  VAL   6          3HG2      VAL   6  -1.175   0.643   3.875
   44   HG22  VAL   6          1HG2      VAL   6  -1.148   2.111   2.900
   45   HG23  VAL   6          2HG2      VAL   6  -0.665   0.571   2.187
   46    H    ABA   7           H        ABU   7  -5.317  -1.068   3.597
   47    HA   ABA   7           HA       ABU   7  -6.783  -1.546   1.145
   48    HB3  ABA   7           1HB      ABU   7  -7.397  -3.090   2.878
   49    HB2  ABA   7           2HB      ABU   7  -8.748  -1.981   2.703
   50    HG1  ABA   7           1HG      ABU   7  -6.685  -1.894   4.881
   51    HG3  ABA   7           3HG      ABU   7  -8.012  -0.753   4.675
   52    HG2  ABA   7           2HG      ABU   7  -8.350  -2.450   5.030
   53    H    ARG   8           H        ARG   8  -6.774   0.257   0.130
   54    HA   ARG   8           HA       ARG   8  -7.819   2.675   1.420
   55    HB2  ARG   8           2HB      ARG   8  -5.527   2.772   0.435
   56    HB3  ARG   8           1HB      ARG   8  -6.213   2.352  -1.126
   57    HG2  ARG   8           2HG      ARG   8  -5.775   4.716  -1.034
   58    HG3  ARG   8           1HG      ARG   8  -7.517   4.446  -1.082
   59    HD2  ARG   8           2HD      ARG   8  -6.959   6.176   0.536
   60    HD3  ARG   8           1HD      ARG   8  -7.623   4.760   1.352
   61    HE   ARG   8           HE       ARG   8  -4.774   4.717   1.218
   62   HH11  ARG   8          1HH1      ARG   8  -7.493   6.028   3.092
   63   HH12  ARG   8          2HH1      ARG   8  -6.544   6.329   4.469
   64   HH21  ARG   8          1HH2      ARG   8  -3.518   5.130   3.172
   65   HH22  ARG   8          2HH2      ARG   8  -4.308   5.831   4.509
   66    H    ARG   9           H        ARG   9  -9.883   3.077   0.950
   67    HA   ARG   9           HA       ARG   9 -11.872   3.254  -0.106
   68    HB2  ARG   9           2HB      ARG   9 -10.466   4.517  -1.767
   69    HB3  ARG   9           1HB      ARG   9 -10.209   3.030  -2.647
   70    HG2  ARG   9           2HG      ARG   9 -11.830   4.402  -3.790
   71    HG3  ARG   9           1HG      ARG   9 -12.623   2.957  -3.170
   72    HD2  ARG   9           2HD      ARG   9 -12.632   5.580  -1.704
   73    HD3  ARG   9           1HD      ARG   9 -13.850   5.177  -2.908
   74    HE   ARG   9           HE       ARG   9 -14.078   3.100  -1.312
   75   HH11  ARG   9          1HH1      ARG   9 -13.696   6.485  -0.415
   76   HH12  ARG   9          2HH1      ARG   9 -14.743   6.403   0.927
   77   HH21  ARG   9          1HH2      ARG   9 -15.476   2.961   0.595
   78   HH22  ARG   9          2HH2      ARG   9 -15.752   4.355   1.523
   79    H    GLY  10           H        GLY  10 -11.202   0.839   0.866
   80    HA2  GLY  10           2HA      GLY  10 -11.928  -1.313   0.926
   81    HA3  GLY  10           1HA      GLY  10 -12.932  -0.891  -0.457
   82    H    VAL  11           H        VAL  11  -9.848  -0.177  -1.344
   83    HA   VAL  11           HA       VAL  11  -9.529  -2.735  -2.706
   84    HB   VAL  11           HB       VAL  11  -8.269  -0.045  -3.325
   85   HG11  VAL  11          1HG1      VAL  11  -7.591  -1.054  -5.443
   86   HG12  VAL  11          2HG1      VAL  11  -8.308  -2.583  -4.946
   87   HG13  VAL  11          3HG1      VAL  11  -6.919  -1.940  -4.071
   88   HG21  VAL  11          3HG2      VAL  11  -9.795   0.055  -5.247
   89   HG22  VAL  11          1HG2      VAL  11 -10.672   0.034  -3.717
   90   HG23  VAL  11          2HG2      VAL  11 -10.577  -1.429  -4.696
   91    H    ABA  12           H        ABU  12  -8.144  -4.010  -1.656
   92    HA   ABA  12           HA       ABU  12  -6.040  -2.906  -0.019
   93    HB3  ABA  12           1HB      ABU  12  -6.529  -5.783  -0.852
   94    HB2  ABA  12           2HB      ABU  12  -7.207  -5.047   0.595
   95    HG1  ABA  12           1HG      ABU  12  -5.263  -6.411   1.123
   96    HG3  ABA  12           3HG      ABU  12  -4.273  -5.425   0.043
   97    HG2  ABA  12           2HG      ABU  12  -4.974  -4.710   1.493
   98    H    ARG  13           H        ARG  13  -4.721  -1.800  -1.273
   99    HA   ARG  13           HA       ARG  13  -3.566  -3.186  -3.588
  100    HB2  ARG  13           2HB      ARG  13  -3.169  -0.979  -4.599
  101    HB3  ARG  13           1HB      ARG  13  -4.877  -1.259  -4.305
  102    HG2  ARG  13           2HG      ARG  13  -4.738   0.153  -2.289
  103    HG3  ARG  13           1HG      ARG  13  -3.036   0.448  -2.640
  104    HD2  ARG  13           2HD      ARG  13  -5.360   1.173  -4.424
  105    HD3  ARG  13           1HD      ARG  13  -4.455   2.293  -3.411
  106    HE   ARG  13           HE       ARG  13  -2.740   0.894  -5.197
  107   HH11  ARG  13          1HH1      ARG  13  -5.027   3.569  -5.092
  108   HH12  ARG  13          2HH1      ARG  13  -4.351   4.379  -6.427
  109   HH21  ARG  13          1HH2      ARG  13  -1.840   1.979  -7.046
  110   HH22  ARG  13          2HH2      ARG  13  -2.525   3.454  -7.567
  111    H    CYS  14           H        CYS  14  -1.336  -2.704  -4.025
  112    HA   CYS  14           HA       CYS  14   0.106  -2.038  -1.574
  113    HB2  CYS  14           2HB      CYS  14   0.917  -4.068  -3.670
  114    HB3  CYS  14           1HB      CYS  14   1.701  -3.747  -2.127
  115    H    VAL  15           H        VAL  15   1.451  -0.437  -1.753
  116    HA   VAL  15           HA       VAL  15   2.159   0.469  -4.433
  117    HB   VAL  15           HB       VAL  15   1.051   2.170  -3.192
  118   HG11  VAL  15          1HG1      VAL  15   1.943   3.130  -1.080
  119   HG12  VAL  15          2HG1      VAL  15   3.152   1.841  -1.048
  120   HG13  VAL  15          3HG1      VAL  15   1.442   1.446  -0.907
  121   HG21  VAL  15          3HG2      VAL  15   2.724   4.001  -3.179
  122   HG22  VAL  15          1HG2      VAL  15   2.785   3.002  -4.631
  123   HG23  VAL  15          2HG2      VAL  15   3.993   2.792  -3.363
  124    H    ABA  16           H        ABU  16   4.133   0.530  -5.078
  125    HA   ABA  16           HA       ABU  16   6.060  -1.034  -3.569
  126    HB3  ABA  16           1HB      ABU  16   7.348  -1.077  -5.666
  127    HB2  ABA  16           2HB      ABU  16   6.159  -0.015  -6.409
  128    HG1  ABA  16           1HG      ABU  16   5.644  -2.802  -5.398
  129    HG3  ABA  16           3HG      ABU  16   4.441  -1.727  -6.106
  130    HG2  ABA  16           2HG      ABU  16   5.792  -2.308  -7.084
  131    H    ARG  17           H        ARG  17   7.201   0.027  -2.160
  132    HA   ARG  17           HA       ARG  17   8.360   2.576  -2.957
  133    HB2  ARG  17           2HB      ARG  17   6.815   2.739  -1.044
  134    HB3  ARG  17           1HB      ARG  17   7.737   1.516  -0.189
  135    HG2  ARG  17           2HG      ARG  17   9.277   3.005   0.511
  136    HG3  ARG  17           1HG      ARG  17   9.296   3.853  -1.038
  137    HD2  ARG  17           2HD      ARG  17   7.096   4.085   1.023
  138    HD3  ARG  17           1HD      ARG  17   8.400   5.258   0.802
  139    HE   ARG  17           HE       ARG  17   7.485   5.179  -1.635
  140   HH11  ARG  17          1HH1      ARG  17   5.573   5.445   1.339
  141   HH12  ARG  17          2HH1      ARG  17   4.256   6.214   0.576
  142   HH21  ARG  17          1HH2      ARG  17   5.677   6.244  -2.663
  143   HH22  ARG  17          2HH2      ARG  17   4.314   6.666  -1.733
  144    H    ARG  18           H        ARG  18  10.233   2.171  -3.736
  145    HA   ARG  18           HA       ARG  18  12.286   1.430  -4.129
  146    HB2  ARG  18           2HB      ARG  18  12.657   2.663  -1.980
  147    HB3  ARG  18           1HB      ARG  18  12.469   1.151  -1.115
  148    HG2  ARG  18           2HG      ARG  18  14.457   0.253  -2.135
  149    HG3  ARG  18           1HG      ARG  18  14.616   1.684  -3.158
  150    HD2  ARG  18           2HD      ARG  18  16.129   1.742  -1.219
  151    HD3  ARG  18           1HD      ARG  18  14.973   3.071  -1.220
  152    HE   ARG  18           HE       ARG  18  14.149   0.767   0.283
  153   HH11  ARG  18          1HH1      ARG  18  15.880   3.843   0.419
  154   HH12  ARG  18          2HH1      ARG  18  15.706   4.018   2.101
  155   HH21  ARG  18          1HH2      ARG  18  13.890   1.037   2.595
  156   HH22  ARG  18          2HH2      ARG  18  14.554   2.416   3.351
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  11.420  -1.547  -4.098
    2    HA2  GLY   1           2HA      GLY   1  11.194  -3.761  -3.683
    3    HA3  GLY   1           1HA      GLY   1  12.478  -3.580  -2.500
    4    H    VAL   2           H        VAL   2  10.280  -1.351  -1.580
    5    HA   VAL   2           HA       VAL   2   9.151  -3.161   0.385
    6    HB   VAL   2           HB       VAL   2   8.988  -0.136   0.245
    7   HG11  VAL   2          1HG1      VAL   2   8.388  -2.031   2.510
    8   HG12  VAL   2          2HG1      VAL   2   7.195  -1.152   1.556
    9   HG13  VAL   2          3HG1      VAL   2   8.314  -0.271   2.597
   10   HG21  VAL   2          3HG2      VAL   2  11.294  -0.835   0.503
   11   HG22  VAL   2          1HG2      VAL   2  10.846  -1.895   1.839
   12   HG23  VAL   2          2HG2      VAL   2  10.694  -0.150   2.012
   13    H    ABA   3           H        ABU   3   7.273  -4.010  -0.027
   14    HA   ABA   3           HA       ABU   3   5.461  -2.746  -1.923
   15    HB3  ABA   3           1HB      ABU   3   5.378  -5.512  -0.679
   16    HB2  ABA   3           2HB      ABU   3   6.056  -5.143  -2.258
   17    HG1  ABA   3           1HG      ABU   3   3.848  -4.442  -3.043
   18    HG3  ABA   3           3HG      ABU   3   3.833  -6.106  -2.459
   19    HG2  ABA   3           2HG      ABU   3   3.172  -4.814  -1.457
   20    H    ARG   4           H        ARG   4   4.408  -1.230  -0.839
   21    HA   ARG   4           HA       ARG   4   3.308  -1.811   1.799
   22    HB2  ARG   4           2HB      ARG   4   3.379   0.769   0.219
   23    HB3  ARG   4           1HB      ARG   4   2.766   0.597   1.856
   24    HG2  ARG   4           2HG      ARG   4   5.021  -0.062   2.600
   25    HG3  ARG   4           1HG      ARG   4   5.611   0.191   0.956
   26    HD2  ARG   4           2HD      ARG   4   4.965   2.525   1.058
   27    HD3  ARG   4           1HD      ARG   4   4.311   2.300   2.675
   28    HE   ARG   4           HE       ARG   4   7.152   1.815   2.117
   29   HH11  ARG   4          1HH1      ARG   4   4.660   3.547   3.970
   30   HH12  ARG   4          2HH1      ARG   4   5.784   4.388   4.939
   31   HH21  ARG   4          1HH2      ARG   4   8.673   2.976   3.513
   32   HH22  ARG   4          2HH2      ARG   4   8.079   4.049   4.695
   33    H    CYS   5           H        CYS   5   1.357  -2.678   1.808
   34    HA   CYS   5           HA       CYS   5  -0.468  -2.066  -0.394
   35    HB2  CYS   5           2HB      CYS   5  -0.480  -4.367   1.547
   36    HB3  CYS   5           1HB      CYS   5  -1.711  -4.078   0.325
   37    H    VAL   6           H        VAL   6  -1.982  -0.746  -0.028
   38    HA   VAL   6           HA       VAL   6  -2.974  -0.479   2.690
   39    HB   VAL   6           HB       VAL   6  -1.689   1.426   2.212
   40   HG11  VAL   6          1HG1      VAL   6  -2.198   3.015   0.356
   41   HG12  VAL   6          2HG1      VAL   6  -3.390   1.867  -0.259
   42   HG13  VAL   6          3HG1      VAL   6  -1.687   1.432  -0.233
   43   HG21  VAL   6          3HG2      VAL   6  -3.356   3.250   2.476
   44   HG22  VAL   6          1HG2      VAL   6  -3.634   1.847   3.513
   45   HG23  VAL   6          2HG2      VAL   6  -4.616   2.075   2.074
   46    H    ABA   7           H        ABU   7  -4.935  -0.791   2.954
   47    HA   ABA   7           HA       ABU   7  -6.692  -1.122   0.626
   48    HB3  ABA   7           1HB      ABU   7  -7.068  -2.172   3.448
   49    HB2  ABA   7           2HB      ABU   7  -6.466  -3.114   2.089
   50    HG1  ABA   7           1HG      ABU   7  -8.591  -2.868   0.944
   51    HG3  ABA   7           3HG      ABU   7  -8.820  -3.583   2.539
   52    HG2  ABA   7           2HG      ABU   7  -9.203  -1.883   2.266
   53    H    ARG   8           H        ARG   8  -7.814   0.534   0.175
   54    HA   ARG   8           HA       ARG   8  -8.759   2.214   2.366
   55    HB2  ARG   8           2HB      ARG   8  -8.090   3.003  -0.464
   56    HB3  ARG   8           1HB      ARG   8  -8.749   4.092   0.750
   57    HG2  ARG   8           2HG      ARG   8  -6.732   3.761   2.113
   58    HG3  ARG   8           1HG      ARG   8  -6.102   2.676   0.871
   59    HD2  ARG   8           2HD      ARG   8  -6.746   5.594   0.493
   60    HD3  ARG   8           1HD      ARG   8  -5.134   4.916   0.696
   61    HE   ARG   8           HE       ARG   8  -6.402   3.636  -1.445
   62   HH11  ARG   8          1HH1      ARG   8  -4.882   6.716  -0.626
   63   HH12  ARG   8          2HH1      ARG   8  -4.639   7.170  -2.260
   64   HH21  ARG   8          1HH2      ARG   8  -6.027   4.268  -3.677
   65   HH22  ARG   8          2HH2      ARG   8  -5.278   5.776  -3.983
   66    H    ARG   9           H        ARG   9 -10.776   1.659   2.709
   67    HA   ARG   9           HA       ARG   9 -12.993   1.349   2.476
   68    HB2  ARG   9           2HB      ARG   9 -12.689   3.559   1.240
   69    HB3  ARG   9           1HB      ARG   9 -12.709   2.639  -0.249
   70    HG2  ARG   9           2HG      ARG   9 -14.860   3.683   0.143
   71    HG3  ARG   9           1HG      ARG   9 -15.010   1.928   0.248
   72    HD2  ARG   9           2HD      ARG   9 -15.182   1.977   2.579
   73    HD3  ARG   9           1HD      ARG   9 -14.578   3.632   2.680
   74    HE   ARG   9           HE       ARG   9 -16.799   3.925   1.243
   75   HH11  ARG   9          1HH1      ARG   9 -16.254   2.240   4.302
   76   HH12  ARG   9          2HH1      ARG   9 -17.787   2.606   4.938
   77   HH21  ARG   9          1HH2      ARG   9 -18.887   4.457   2.124
   78   HH22  ARG   9          2HH2      ARG   9 -19.312   3.905   3.674
   79    H    GLY  10           H        GLY  10 -11.330  -0.705   1.805
   80    HA2  GLY  10           2HA      GLY  10 -11.770  -2.891   1.154
   81    HA3  GLY  10           1HA      GLY  10 -13.067  -2.232   0.170
   82    H    VAL  11           H        VAL  11 -10.782  -0.292  -0.795
   83    HA   VAL  11           HA       VAL  11 -10.019  -2.014  -3.009
   84    HB   VAL  11           HB       VAL  11  -9.538   0.960  -2.614
   85   HG11  VAL  11          1HG1      VAL  11  -9.059   1.001  -5.025
   86   HG12  VAL  11          2HG1      VAL  11  -9.239  -0.754  -5.079
   87   HG13  VAL  11          3HG1      VAL  11  -7.926  -0.030  -4.150
   88   HG21  VAL  11          3HG2      VAL  11 -11.645  -0.451  -4.251
   89   HG22  VAL  11          1HG2      VAL  11 -11.364   1.289  -4.229
   90   HG23  VAL  11          2HG2      VAL  11 -11.923   0.462  -2.773
   91    H    ABA  12           H        ABU  12  -8.278  -3.206  -2.628
   92    HA   ABA  12           HA       ABU  12  -6.171  -2.223  -0.862
   93    HB3  ABA  12           1HB      ABU  12  -6.472  -4.940  -2.179
   94    HB2  ABA  12           2HB      ABU  12  -7.050  -4.544  -0.565
   95    HG1  ABA  12           1HG      ABU  12  -4.938  -5.757  -0.482
   96    HG3  ABA  12           3HG      ABU  12  -4.172  -4.494  -1.450
   97    HG2  ABA  12           2HG      ABU  12  -4.766  -4.127   0.167
   98    H    ARG  13           H        ARG  13  -4.511  -1.193  -1.653
   99    HA   ARG  13           HA       ARG  13  -3.683  -1.785  -4.403
  100    HB2  ARG  13           2HB      ARG  13  -4.877   0.371  -4.252
  101    HB3  ARG  13           1HB      ARG  13  -3.739   0.899  -3.025
  102    HG2  ARG  13           2HG      ARG  13  -1.952   0.923  -4.603
  103    HG3  ARG  13           1HG      ARG  13  -2.977   0.164  -5.825
  104    HD2  ARG  13           2HD      ARG  13  -3.420   2.884  -4.605
  105    HD3  ARG  13           1HD      ARG  13  -2.772   2.570  -6.220
  106    HE   ARG  13           HE       ARG  13  -5.523   2.187  -5.308
  107   HH11  ARG  13          1HH1      ARG  13  -3.197   1.970  -7.982
  108   HH12  ARG  13          2HH1      ARG  13  -4.388   1.911  -9.191
  109   HH21  ARG  13          1HH2      ARG  13  -7.147   2.038  -6.976
  110   HH22  ARG  13          2HH2      ARG  13  -6.683   1.913  -8.604
  111    H    CYS  14           H        CYS  14  -1.498  -1.993  -4.704
  112    HA   CYS  14           HA       CYS  14   0.143  -1.764  -2.277
  113    HB2  CYS  14           2HB      CYS  14   0.341  -3.885  -4.404
  114    HB3  CYS  14           1HB      CYS  14   1.406  -3.713  -3.019
  115    H    VAL  15           H        VAL  15   1.658  -0.369  -2.469
  116    HA   VAL  15           HA       VAL  15   2.749   0.174  -5.118
  117    HB   VAL  15           HB       VAL  15   1.791   2.147  -4.220
  118   HG11  VAL  15          1HG1      VAL  15   2.576   3.227  -2.115
  119   HG12  VAL  15          2HG1      VAL  15   3.570   1.804  -1.797
  120   HG13  VAL  15          3HG1      VAL  15   1.814   1.660  -1.834
  121   HG21  VAL  15          3HG2      VAL  15   3.801   2.488  -5.500
  122   HG22  VAL  15          1HG2      VAL  15   4.794   2.323  -4.053
  123   HG23  VAL  15          2HG2      VAL  15   3.709   3.704  -4.230
  124    H    ABA  16           H        ABU  16   4.703  -0.212  -5.557
  125    HA   ABA  16           HA       ABU  16   6.389  -1.344  -3.447
  126    HB3  ABA  16           1HB      ABU  16   7.571  -2.495  -5.270
  127    HB2  ABA  16           2HB      ABU  16   6.471  -1.771  -6.428
  128    HG1  ABA  16           1HG      ABU  16   4.598  -2.965  -5.421
  129    HG3  ABA  16           3HG      ABU  16   5.856  -4.070  -5.976
  130    HG2  ABA  16           2HG      ABU  16   5.698  -3.707  -4.256
  131    H    ARG  17           H        ARG  17   7.853   0.023  -2.784
  132    HA   ARG  17           HA       ARG  17   9.313   1.597  -4.778
  133    HB2  ARG  17           2HB      ARG  17   7.686   3.093  -3.688
  134    HB3  ARG  17           1HB      ARG  17   8.317   2.631  -2.116
  135    HG2  ARG  17           2HG      ARG  17  10.490   3.613  -2.717
  136    HG3  ARG  17           1HG      ARG  17   9.819   4.116  -4.269
  137    HD2  ARG  17           2HD      ARG  17   9.810   5.946  -2.648
  138    HD3  ARG  17           1HD      ARG  17   8.166   5.497  -3.111
  139    HE   ARG  17           HE       ARG  17   9.137   4.174  -0.773
  140   HH11  ARG  17          1HH1      ARG  17   7.622   7.165  -1.901
  141   HH12  ARG  17          2HH1      ARG  17   6.824   7.465  -0.422
  142   HH21  ARG  17          1HH2      ARG  17   8.031   4.609   1.246
  143   HH22  ARG  17          2HH2      ARG  17   7.054   6.009   1.374
  144    H    ARG  18           H        ARG  18  11.371   1.042  -4.654
  145    HA   ARG  18           HA       ARG  18  13.348   0.280  -3.957
  146    HB2  ARG  18           2HB      ARG  18  13.243   2.395  -2.600
  147    HB3  ARG  18           1HB      ARG  18  12.559   1.476  -1.272
  148    HG2  ARG  18           2HG      ARG  18  14.630   0.193  -1.082
  149    HG3  ARG  18           1HG      ARG  18  15.318   1.085  -2.436
  150    HD2  ARG  18           2HD      ARG  18  16.090   1.961  -0.283
  151    HD3  ARG  18           1HD      ARG  18  15.152   3.159  -1.177
  152    HE   ARG  18           HE       ARG  18  13.510   1.681   0.600
  153   HH11  ARG  18          1HH1      ARG  18  15.925   4.247   0.615
  154   HH12  ARG  18          2HH1      ARG  18  15.298   5.047   1.977
  155   HH21  ARG  18          1HH2      ARG  18  12.609   2.783   2.459
  156   HH22  ARG  18          2HH2      ARG  18  13.359   4.188   3.061