*HEADER    PLANT PROTEIN                           29-APR-20   6WQL              
*TITLE     SOLUTION STRUCTURE OF THE SEED PEPTIDE C2 (VBP-1) FROM PUMPKIN        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SEED PEPTIDE C2 (VBP-1);                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CUCURBITA MAXIMA;                               
*SOURCE   4 ORGANISM_COMMON: PUMPKIN;                                            
*SOURCE   5 ORGANISM_TAXID: 3661                                                 
*KEYWDS    VICILIN-BURIED PEPTIDE, PLANT PROTEIN                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.P.PAYNE,K.J.ROSENGREN                                               
*REVDAT   1   21-OCT-20 6WQL    0                                                
# Restraints file 1: C2_restraints.tbl
!Dihedral restraints from TALOS-N

assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -75.2   28.7 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  140.3   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  -31.4   20.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -76.9   30.3 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  -22.1   46.6 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -67.0   20.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  -39.1   20.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -65.4   20.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  -39.3   20.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0  -65.1   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  -44.3   20.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -64.9   20.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  -39.8   20.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -65.1   20.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  -42.8   20.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -65.1   20.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  -39.9   20.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0  -64.4   20.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  -40.6   20.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -66.7   20.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  -40.2   20.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0  -65.4   20.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  -37.6   20.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0  -67.1   20.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  -36.1   20.0 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0  -66.2   20.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  -40.8   20.0 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0  -71.3   22.0 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  -27.0   20.6 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -65.9   20.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  -30.0   20.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0  -81.9   47.1 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  163.1   24.0 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -61.0   20.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  -38.7   20.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -64.9   20.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -39.7   20.0 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0  -67.3   20.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  -41.9   20.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -63.5   20.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -40.9   20.0 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0  -65.0   20.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    ) (resid 28    and name N    )    1.0  -36.4   20.0 2
assign (resid 27    and name C    ) (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    )    1.0  -66.8   20.0 2
assign (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    ) (resid 29    and name N    )    1.0  -39.3   20.0 2
assign (resid 28    and name C    ) (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    )    1.0  -64.7   20.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    ) (resid 30    and name N    )    1.0  -39.5   20.0 2
assign (resid 29    and name C    ) (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    )    1.0  -65.0   20.0 2
assign (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    ) (resid 31    and name N    )    1.0  -38.4   20.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    ) (resid 32    and name N    )    1.0  -43.1   20.0 2
assign (resid 31    and name C    ) (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    )    1.0  -64.5   20.0 2
assign (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    ) (resid 33    and name N    )    1.0  -43.5   20.0 2
assign (resid 32    and name C    ) (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    )    1.0  -65.3   20.0 2
assign (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    ) (resid 34    and name N    )    1.0  -36.5   20.0 2
assign (resid 33    and name C    ) (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    )    1.0  -66.3   20.0 2
assign (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    ) (resid 35    and name N    )    1.0  -35.8   20.0 2
assign (resid 34    and name C    ) (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    )    1.0  -70.7   20.0 2
assign (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    ) (resid 36    and name N    )    1.0  -35.8   20.0 2
assign (resid 35    and name C    ) (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    )    1.0  -69.3   20.0 2
assign (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    ) (resid 37    and name N    )    1.0  -37.1   20.0 2
assign (resid 36    and name C    ) (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    )    1.0  -68.5   20.0 2
assign (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    ) (resid 38    and name N    )    1.0  -39.0   20.0 2
assign (resid 37    and name C    ) (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    )    1.0  -66.1   20.0 2
assign (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    ) (resid 39    and name N    )    1.0  -38.5   20.0 2
assign (resid 38    and name C    ) (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name C    )    1.0  -66.5   20.0 2
assign (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name C    ) (resid 40    and name N    )    1.0  -40.1   20.0 2
assign (resid 39    and name C    ) (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name C    )    1.0  -72.2   20.0 2
assign (resid 40    and name N    ) (resid 40    and name CA   ) (resid 40    and name C    ) (resid 41    and name N    )    1.0  -32.8   20.0 2
assign (resid 40    and name C    ) (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name C    )    1.0  -93.0   23.6 2
assign (resid 41    and name N    ) (resid 41    and name CA   ) (resid 41    and name C    ) (resid 42    and name N    )    1.0  -31.0   20.0 2
assign (resid 41    and name C    ) (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    )    1.0 -111.5   22.9 2
assign (resid 42    and name N    ) (resid 42    and name CA   ) (resid 42    and name C    ) (resid 43    and name N    )    1.0   -0.3   21.3 2

!DISH Dihedral CHI1 restraints for CYS
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name CB   ) (resid 12    and name SG   )    1.0  180.0   45.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name CB   ) (resid 16    and name SG   )    1.0  -60.0   45.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name CB   ) (resid 29    and name SG   )    1.0  -60.0   45.0 2
assign (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name CB   ) (resid 33    and name SG   )    1.0  -60.0   45.0 2

!Hbond Restraints from Temperature Coefficients and Preliminary Calculations in CYANA 3.98.5
assign (resid  9    and name HN   ) (resid  5    and name O )    0.00    0.00    2.30
assign (resid  9    and name N    ) (resid  5    and name O )    0.00    0.00    3.30
assign (resid 10    and name HN   ) (resid  6    and name O )    0.00    0.00    2.30
assign (resid 10    and name N    ) (resid  6    and name O )    0.00    0.00    3.30
assign (resid 11    and name HN   ) (resid  7    and name O )    0.00    0.00    2.30
assign (resid 11    and name N    ) (resid  7    and name O )    0.00    0.00    3.30
assign (resid 12    and name HN   ) (resid  8    and name O )    0.00    0.00    2.30
assign (resid 12    and name N    ) (resid  8    and name O )    0.00    0.00    3.30
assign (resid 14    and name HN   ) (resid 10    and name O )    0.00    0.00    2.30
assign (resid 14    and name N    ) (resid 10    and name O )    0.00    0.00    3.30
assign (resid 15    and name HN   ) (resid 11    and name O )    0.00    0.00    2.30
assign (resid 15    and name N    ) (resid 11    and name O )    0.00    0.00    3.30
assign (resid 17    and name HN   ) (resid 13    and name O )    0.00    0.00    2.30
assign (resid 17    and name N    ) (resid 13    and name O )    0.00    0.00    3.30
assign (resid 19    and name HN   ) (resid 15    and name O )    0.00    0.00    2.30
assign (resid 19    and name N    ) (resid 15    and name O )    0.00    0.00    3.30
assign (resid 20    and name HN   ) (resid 16    and name O )    0.00    0.00    2.30
assign (resid 20    and name N    ) (resid 16    and name O )    0.00    0.00    3.30
assign (resid 26    and name HN   ) (resid 22    and name O )    0.00    0.00    2.30
assign (resid 26    and name N    ) (resid 22    and name O )    0.00    0.00    3.30
assign (resid 27    and name HN   ) (resid 23    and name O )    0.00    0.00    2.30
assign (resid 27    and name N    ) (resid 23    and name O )    0.00    0.00    3.30
assign (resid 28    and name HN   ) (resid 24    and name O )    0.00    0.00    2.30
assign (resid 28    and name N    ) (resid 24    and name O )    0.00    0.00    3.30
assign (resid 29    and name HN   ) (resid 25    and name O )    0.00    0.00    2.30
assign (resid 29    and name N    ) (resid 25    and name O )    0.00    0.00    3.30
assign (resid 30    and name HN   ) (resid 26    and name O )    0.00    0.00    2.30
assign (resid 30    and name N    ) (resid 26    and name O )    0.00    0.00    3.30
assign (resid 37    and name HN   ) (resid 33    and name O )    0.00    0.00    2.30
assign (resid 37    and name N    ) (resid 33    and name O )    0.00    0.00    3.30
assign (resid 38    and name HN   ) (resid 34    and name O )    0.00    0.00    2.30
assign (resid 38    and name N    ) (resid 34    and name O )    0.00    0.00    3.30
assign (resid 41    and name HN   ) (resid 37    and name O )    0.00    0.00    2.30
assign (resid 41    and name N    ) (resid 37    and name O )    0.00    0.00    3.30
assign (resid 42    and name HN   ) (resid 38    and name O )    0.00    0.00    2.30
assign (resid 42    and name N    ) (resid 38    and name O )    0.00    0.00    3.30

!Inter-proton Distance Restraints from CYANA 3.98.5
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.660    0.860    0.860  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.660    0.860    0.860  
assign (resid  37 and name   HN)   (resid  37 and name   HG)   2.865    1.065    1.065  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.135    1.335    1.335  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.135    1.335    1.335  
assign (resid  10 and name   HN)   (resid  10 and name  HG#)   2.525    0.725    0.725  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.775    0.975    0.975  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.420    0.620    0.620  
assign (resid  11 and name   HN)   (resid  11 and name HG1#)   3.045    1.245    1.245  
assign (resid  11 and name   HN)   (resid  11 and name HG2#)   3.045    1.245    1.245  
assign (resid  10 and name  HG#)   (resid  11 and name   HN)   3.525    1.725    1.725  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   2.955    1.155    1.155  
assign (resid  11 and name   HB)   (resid  12 and name   HN)   2.945    1.145    1.145  
assign (resid  11 and name HG1#)   (resid  12 and name   HN)   3.370    1.570    1.570  
assign (resid  11 and name HG2#)   (resid  12 and name   HN)   3.370    1.570    1.570  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.525    0.725    0.725  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.525    0.725    0.725  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   2.925    1.125    1.125  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.925    1.125    1.125  
assign (resid  10 and name   HA)   (resid  13 and name   HN)   2.950    1.150    1.150  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.805    1.005    1.005  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.805    1.005    1.005  
assign (resid   8 and name   HN)   (resid   8 and name  HG2)   2.900    1.100    1.100  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.490    0.690    0.690  
assign (resid   8 and name  HG2)   (resid   9 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.540    0.740    0.740  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.340    0.540    0.540  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.375    0.575    0.575  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.425    0.625    0.625  
assign (resid   6 and name   HN)   (resid   6 and name  HB2)   2.940    1.140    1.140  
assign (resid  21 and name   HN)   (resid  21 and name  HG2)   3.085    1.285    1.285  
assign (resid   6 and name   HN)   (resid   6 and name  HG#)   3.130    1.330    1.330  
assign (resid  18 and name HG1#)   (resid  19 and name   HN)   3.100    1.300    1.300  
assign (resid  18 and name HG2#)   (resid  19 and name   HN)   3.100    1.300    1.300  
assign (resid  18 and name   HN)   (resid  18 and name HG1#)   2.895    1.095    1.095  
assign (resid  18 and name   HN)   (resid  18 and name HG2#)   2.895    1.095    1.095  
assign (resid  18 and name   HN)   (resid  18 and name   HB)   2.580    0.780    0.780  
assign (resid  18 and name   HB)   (resid  19 and name   HN)   3.140    1.340    1.340  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.925    1.125    1.125  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.925    1.125    1.125  
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   2.820    1.020    1.020  
assign (resid   6 and name   HN)   (resid   6 and name  HB1)   2.940    1.140    1.140  
assign (resid  21 and name   HN)   (resid  21 and name  HG1)   3.085    1.285    1.285  
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.275    0.475    0.475  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.075    1.275    1.275  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   3.465    1.665    1.665  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.920    1.120    1.120  
assign (resid  36 and name   HN)   (resid  37 and name   HN)   3.005    1.205    1.205  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.560    0.760    0.760  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   3.205    1.405    1.405  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.500    0.700    0.700  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.855    1.055    1.055  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.670    0.870    0.870  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.685    0.885    0.885  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.685    0.885    0.885  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.585    0.785    0.785  
assign (resid  13 and name   HA)   (resid  16 and name   HN)   2.940    1.140    1.140  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.715    0.915    0.915  
assign (resid  15 and name   HN)   (resid  15 and name  HG2)   2.990    1.190    1.190  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.710    0.910    0.910  
assign (resid  48 and name   HA)   (resid  49 and name   HN)   2.590    0.790    0.790  
assign (resid  47 and name  HB2)   (resid  48 and name   HN)   3.650    1.850    1.850  
assign (resid  47 and name  HB1)   (resid  48 and name   HN)   3.650    1.850    1.850  
assign (resid  47 and name   HN)   (resid  47 and name  HB2)   2.790    0.990    0.990  
assign (resid  47 and name   HN)   (resid  47 and name  HB1)   2.790    0.990    0.990  
assign (resid  46 and name   HN)   (resid  46 and name  HG#)   3.120    1.320    1.320  
assign (resid  46 and name   HN)   (resid  46 and name  HB#)   2.540    0.740    0.740  
assign (resid  46 and name  HB#)   (resid  47 and name   HN)   3.200    1.400    1.400  
assign (resid  46 and name  HG#)   (resid  47 and name   HN)   3.565    1.765    1.765  
assign (resid  46 and name   HA)   (resid  47 and name   HN)   2.555    0.755    0.755  
assign (resid  41 and name   HN)   (resid  43 and name   HN)   3.525    1.725    1.725  
assign (resid  48 and name   HN)   (resid  49 and name   HN)   3.650    1.850    1.850  
assign (resid  47 and name   HN)   (resid  48 and name   HN)   2.920    1.120    1.120  
assign (resid  46 and name   HN)   (resid  47 and name   HN)   2.935    1.135    1.135  
assign (resid  45 and name  HA#)   (resid  46 and name   HN)   2.480    0.680    0.680  
assign (resid  22 and name     )   (resid  23 and name   HN)   2.455    0.655    0.655  
assign (resid  45 and name   HN)   (resid  46 and name   HN)   3.320    1.520    1.520  
assign (resid  44 and name   HN)   (resid  45 and name   HN)   3.080    1.280    1.280  
assign (resid  44 and name   HA)   (resid  45 and name   HN)   2.630    0.830    0.830  
assign (resid  44 and name   HN)   (resid  44 and name  HG#)   2.895    1.095    1.095  
assign (resid  44 and name  HG#)   (resid  45 and name   HN)   3.260    1.460    1.460  
assign (resid  44 and name  HB1)   (resid  45 and name   HN)   3.165    1.365    1.365  
assign (resid  44 and name  HB2)   (resid  45 and name   HN)   3.165    1.365    1.365  
assign (resid  42 and name   HN)   (resid  43 and name   HN)   2.775    0.975    0.975  
assign (resid  42 and name   HN)   (resid  42 and name  HG#)   3.310    1.510    1.510  
assign (resid  42 and name   HN)   (resid  42 and name  HB2)   2.755    0.955    0.955  
assign (resid  42 and name   HN)   (resid  42 and name  HB1)   2.755    0.955    0.955  
assign (resid  32 and name   HN)   (resid  32 and name HG2#)   2.360    0.560    0.560  
assign (resid  32 and name   HN)   (resid  32 and name HG1#)   2.900    1.100    1.100  
assign (resid  32 and name   HN)   (resid  32 and name   HB)   2.495    0.695    0.695  
assign (resid  32 and name HG2#)   (resid  33 and name   HN)   3.015    1.215    1.215  
assign (resid  32 and name HG1#)   (resid  33 and name   HN)   2.845    1.045    1.045  
assign (resid  32 and name   HB)   (resid  33 and name   HN)   2.510    0.710    0.710  
assign (resid  33 and name   HN)   (resid  33 and name  HB2)   2.760    0.960    0.960  
assign (resid  33 and name   HN)   (resid  33 and name  HB1)   2.740    0.940    0.940  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   2.555    0.755    0.755  
assign (resid  33 and name  HB2)   (resid  34 and name   HN)   2.650    0.850    0.850  
assign (resid  33 and name  HB1)   (resid  34 and name   HN)   2.840    1.040    1.040  
assign (resid  33 and name   HN)   (resid  34 and name   HN)   2.630    0.830    0.830  
assign (resid  34 and name   HN)   (resid  34 and name  HG#)   3.005    1.205    1.205  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.840    1.040    1.040  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.715    0.915    0.915  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   2.595    0.795    0.795  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.520    0.720    0.720  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.720    0.920    0.920  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.720    0.920    0.920  
assign (resid  14 and name   HN)   (resid  14 and name HD2#)   3.355    1.555    1.555  
assign (resid  13 and name  HB1)   (resid  14 and name   HN)   2.950    1.150    1.150  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   2.950    1.150    1.150  
assign (resid  11 and name   HA)   (resid  14 and name   HN)   2.905    1.105    1.105  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.375    0.575    0.575  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.615    0.815    0.815  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.595    0.795    0.795  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.425    0.625    0.625  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid  22 and name  HA2)   (resid  23 and name   HN)   2.455    0.655    0.655  
assign (resid  23 and name   HN)   (resid  23 and name HG1#)   2.860    1.060    1.060  
assign (resid  23 and name   HN)   (resid  23 and name HG2#)   2.860    1.060    1.060  
assign (resid  23 and name   HN)   (resid  23 and name   HB)   2.380    0.580    0.580  
assign (resid  23 and name HG1#)   (resid  24 and name   HN)   2.930    1.130    1.130  
assign (resid  23 and name HG2#)   (resid  24 and name   HN)   2.930    1.130    1.130  
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   2.760    0.960    0.960  
assign (resid  24 and name   HN)   (resid  24 and name  HB2)   2.705    0.905    0.905  
assign (resid  24 and name   HN)   (resid  24 and name  HB1)   2.705    0.905    0.905  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.690    0.890    0.890  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.505    0.705    0.705  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   3.650    1.850    1.850  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.570    0.770    0.770  
assign (resid  25 and name   HN)   (resid  25 and name  HG2)   3.035    1.235    1.235  
assign (resid  25 and name   HN)   (resid  25 and name  HG1)   3.035    1.235    1.235  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.280    0.480    0.480  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   2.510    0.710    0.710  
assign (resid  26 and name   HN)   (resid  26 and name  HG#)   2.580    0.780    0.780  
assign (resid  29 and name   HN)   (resid  29 and name  HB2)   2.410    0.610    0.610  
assign (resid  29 and name  HB2)   (resid  30 and name   HN)   2.795    0.995    0.995  
assign (resid  30 and name   HN)   (resid  30 and name  HG#)   2.525    0.725    0.725  
assign (resid  30 and name   HN)   (resid  30 and name  HB2)   2.710    0.910    0.910  
assign (resid  30 and name   HN)   (resid  30 and name  HB1)   2.710    0.910    0.910  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   2.505    0.705    0.705  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   2.570    0.770    0.770  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   2.515    0.715    0.715  
assign (resid   8 and name   HN)   (resid   8 and name  HG1)   2.900    1.100    1.100  
assign (resid  31 and name   HN)   (resid  31 and name  HG#)   3.050    1.250    1.250  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.560    0.760    0.760  
assign (resid  31 and name  HG#)   (resid  32 and name   HN)   3.135    1.335    1.335  
assign (resid  31 and name  HB#)   (resid  32 and name   HN)   2.775    0.975    0.975  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   2.465    0.665    0.665  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.320    0.520    0.520  
assign (resid  28 and name   HN)   (resid  28 and name  HD#)   3.650    1.850    1.850  
assign (resid  28 and name   HN)   (resid  28 and name  HG2)   2.995    1.195    1.195  
assign (resid  28 and name   HN)   (resid  28 and name  HG1)   2.995    1.195    1.195  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.715    0.915    0.915  
assign (resid  27 and name   HN)   (resid  27 and name  HD#)   3.140    1.340    1.340  
assign (resid  27 and name   HN)   (resid  27 and name  HG#)   3.025    1.225    1.225  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.585    0.785    0.785  
assign (resid   2 and name   HN)   (resid   2 and name  HD#)   3.650    1.850    1.850  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.660    0.860    0.860  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.960    1.160    1.160  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.960    1.160    1.160  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   3.215    1.415    1.415  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.000    1.200    1.200  
assign (resid  37 and name   HN)   (resid  37 and name HD1#)   3.110    1.310    1.310  
assign (resid  37 and name   HN)   (resid  37 and name HD2#)   3.110    1.310    1.310  
assign (resid  41 and name   HN)   (resid  41 and name  HB2)   2.985    1.185    1.185  
assign (resid  41 and name   HN)   (resid  41 and name  HB1)   2.985    1.185    1.185  
assign (resid  41 and name   HN)   (resid  41 and name  HG#)   2.550    0.750    0.750  
assign (resid  40 and name   HN)   (resid  40 and name  HG#)   3.005    1.205    1.205  
assign (resid  38 and name   HN)   (resid  38 and name  HG2)   3.445    1.645    1.645  
assign (resid  38 and name   HN)   (resid  38 and name  HG1)   3.445    1.645    1.645  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   2.630    0.830    0.830  
assign (resid  39 and name   HN)   (resid  39 and name  HG2)   2.920    1.120    1.120  
assign (resid  39 and name   HN)   (resid  39 and name  HG1)   2.920    1.120    1.120  
assign (resid  39 and name   HN)   (resid  39 and name  HB2)   2.780    0.980    0.980  
assign (resid  39 and name   HN)   (resid  39 and name  HB1)   2.780    0.980    0.980  
assign (resid  35 and name   HN)   (resid  35 and name  HB#)   2.895    1.095    1.095  
assign (resid  35 and name   HN)   (resid  35 and name  HG#)   2.470    0.670    0.670  
assign (resid   9 and name   HA)   (resid   9 and name  HD#)   2.505    0.705    0.705  
assign (resid   9 and name   HA)   (resid   9 and name  HE#)   3.390    1.590    1.590  
assign (resid   9 and name  HE#)   (resid  33 and name  HB1)   3.010    1.210    1.210  
assign (resid   9 and name  HE#)   (resid  37 and name  HB2)   3.535    1.735    1.735  
assign (resid   9 and name  HE#)   (resid  37 and name  HB1)   3.535    1.735    1.735  
assign (resid   9 and name  HE#)   (resid  37 and name HD1#)   3.650    1.850    1.850  
assign (resid   9 and name  HD#)   (resid  37 and name HD1#)   2.835    1.035    1.035  
assign (resid   9 and name  HD#)   (resid  37 and name HD2#)   2.835    1.035    1.035  
assign (resid   9 and name  HE#)   (resid  37 and name HD2#)   3.650    1.850    1.850  
assign (resid   9 and name  HD#)   (resid  37 and name   HA)   3.650    1.850    1.850  
assign (resid   9 and name  HD#)   (resid  37 and name   HG)   2.875    1.075    1.075  
assign (resid   9 and name  HE#)   (resid  37 and name   HG)   3.450    1.650    1.650  
assign (resid  13 and name  HB1)   (resid  13 and name   HE)   3.530    1.730    1.730  
assign (resid  13 and name   HA)   (resid  13 and name   HE)   3.650    1.850    1.850  
assign (resid  13 and name  HB2)   (resid  13 and name   HE)   3.530    1.730    1.730  
assign (resid  21 and name  HB#)   (resid  21 and name   HE)   3.535    1.735    1.735  
assign (resid  13 and name   HA)   (resid  16 and name  HB1)   3.290    1.490    1.490  
assign (resid  37 and name  HB1)   (resid  37 and name HD1#)   2.610    0.810    0.810  
assign (resid  37 and name  HB2)   (resid  37 and name HD1#)   2.610    0.810    0.810  
assign (resid  37 and name   HA)   (resid  37 and name HD1#)   2.845    1.045    1.045  
assign (resid  37 and name   HA)   (resid  37 and name HD2#)   2.845    1.045    1.045  
assign (resid  37 and name  HB1)   (resid  37 and name HD2#)   2.610    0.810    0.810  
assign (resid   9 and name   HA)   (resid  37 and name HD1#)   3.650    1.850    1.850  
assign (resid   9 and name   HA)   (resid  37 and name HD2#)   3.650    1.850    1.850  
assign (resid   9 and name  HB2)   (resid  37 and name HD2#)   3.190    1.390    1.390  
assign (resid   9 and name  HB1)   (resid  37 and name HD2#)   3.190    1.390    1.390  
assign (resid   9 and name  HB2)   (resid  37 and name HD1#)   3.190    1.390    1.390  
assign (resid   9 and name  HB1)   (resid  37 and name HD1#)   3.190    1.390    1.390  
assign (resid  37 and name HD1#)   (resid  40 and name   HN)   3.650    1.850    1.850  
assign (resid  37 and name HD2#)   (resid  40 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  37 and name HD2#)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  37 and name HD1#)   3.650    1.850    1.850  
assign (resid   9 and name  HD#)   (resid  10 and name  HG#)   2.705    0.905    0.905  
assign (resid   9 and name  HD#)   (resid  10 and name   HA)   2.960    1.160    1.160  
assign (resid  10 and name   HA)   (resid  10 and name  HG#)   2.645    0.845    0.845  
assign (resid   9 and name  HE#)   (resid  10 and name   HA)   3.650    1.850    1.850  
assign (resid   9 and name  HE#)   (resid  10 and name  HB#)   3.650    1.850    1.850  
assign (resid   9 and name  HE#)   (resid  10 and name  HG#)   3.650    1.850    1.850  
assign (resid   9 and name  HD#)   (resid  10 and name  HB#)   3.650    1.850    1.850  
assign (resid   9 and name  HD#)   (resid  34 and name   HN)   3.600    1.800    1.800  
assign (resid   9 and name  HE#)   (resid  34 and name   HN)   2.905    1.105    1.105  
assign (resid   9 and name   HN)   (resid   9 and name  HD#)   3.115    1.315    1.315  
assign (resid   9 and name  HD#)   (resid  10 and name   HN)   2.910    1.110    1.110  
assign (resid   9 and name  HD#)   (resid  11 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HD#)   (resid  37 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name   HA)   (resid  12 and name  HB2)   3.055    1.255    1.255  
assign (resid   9 and name   HA)   (resid  12 and name  HB1)   3.055    1.255    1.255  
assign (resid  13 and name   HA)   (resid  16 and name  HB2)   3.290    1.490    1.490  
assign (resid  32 and name   HA)   (resid  32 and name HG2#)   2.355    0.555    0.555  
assign (resid  32 and name   HA)   (resid  32 and name HG1#)   2.530    0.730    0.730  
assign (resid  23 and name   HA)   (resid  23 and name HG1#)   2.790    0.990    0.990  
assign (resid  23 and name   HA)   (resid  23 and name HG2#)   2.790    0.990    0.990  
assign (resid  11 and name   HA)   (resid  11 and name HG2#)   2.580    0.780    0.780  
assign (resid  11 and name   HA)   (resid  11 and name HG1#)   2.580    0.780    0.780  
assign (resid  18 and name   HA)   (resid  18 and name HG1#)   2.440    0.640    0.640  
assign (resid  18 and name   HA)   (resid  18 and name HG2#)   2.440    0.640    0.640  
assign (resid  14 and name  HB1)   (resid  14 and name HD1#)   2.995    1.195    1.195  
assign (resid  14 and name  HB1)   (resid  14 and name HD2#)   2.995    1.195    1.195  
assign (resid  14 and name  HB2)   (resid  14 and name HD2#)   2.995    1.195    1.195  
assign (resid  14 and name  HB2)   (resid  14 and name HD1#)   2.995    1.195    1.195  
assign (resid  26 and name  HB#)   (resid  26 and name HE21)   3.020    1.220    1.220  
assign (resid  26 and name  HB#)   (resid  26 and name HE22)   3.020    1.220    1.220  
assign (resid  21 and name   HA)   (resid  26 and name HE22)   3.220    1.420    1.420  
assign (resid   9 and name  HE#)   (resid  33 and name   HA)   3.650    1.850    1.850  
assign (resid  21 and name   HA)   (resid  26 and name HE21)   3.220    1.420    1.420  
assign (resid  30 and name   HA)   (resid  33 and name   HN)   2.780    0.980    0.980  
assign (resid  25 and name  HB#)   (resid  25 and name HE21)   3.650    1.850    1.850  
assign (resid  25 and name  HB#)   (resid  25 and name HE22)   3.650    1.850    1.850  
assign (resid  28 and name  HB#)   (resid  28 and name  HD#)   2.705    0.905    0.905  
assign (resid  26 and name   HA)   (resid  26 and name  HG#)   2.845    1.045    1.045  
assign (resid  27 and name   HA)   (resid  27 and name  HD#)   3.215    1.415    1.415  
assign (resid  27 and name  HB2)   (resid  27 and name  HD#)   2.815    1.015    1.015  
assign (resid  27 and name  HB1)   (resid  27 and name  HD#)   2.815    1.015    1.015  
assign (resid  30 and name   HA)   (resid  30 and name  HG#)   2.975    1.175    1.175  
assign (resid  31 and name  HB#)   (resid  31 and name  HG#)   2.280    0.480    0.480  
assign (resid  34 and name   HA)   (resid  34 and name  HG#)   2.840    1.040    1.040  
assign (resid  40 and name   HA)   (resid  40 and name  HG#)   2.985    1.185    1.185  
assign (resid  40 and name   HN)   (resid  40 and name  HD#)   3.290    1.490    1.490  
assign (resid  28 and name   HA)   (resid  28 and name  HE#)   3.650    1.850    1.850  
assign (resid  28 and name  HB#)   (resid  28 and name  HE#)   3.650    1.850    1.850  
assign (resid   9 and name  HE#)   (resid  13 and name  HD1)   2.895    1.095    1.095  
assign (resid   9 and name  HE#)   (resid  13 and name  HD2)   2.895    1.095    1.095  
assign (resid  17 and name  HB#)   (resid  17 and name HE21)   3.650    1.850    1.850  
assign (resid  17 and name  HB#)   (resid  17 and name HE22)   3.650    1.850    1.850  
assign (resid  36 and name   HE)   (resid  37 and name   HG)   3.650    1.850    1.850  
assign (resid  26 and name   HA)   (resid  29 and name  HB2)   2.845    1.045    1.045  
assign (resid  26 and name   HA)   (resid  29 and name  HB1)   2.845    1.045    1.045  
assign (resid  30 and name   HA)   (resid  33 and name  HB2)   2.865    1.065    1.065  
assign (resid  30 and name   HA)   (resid  33 and name  HB1)   3.385    1.585    1.585  
assign (resid   6 and name   HA)   (resid   9 and name  HB2)   2.845    1.045    1.045  
assign (resid   6 and name   HA)   (resid   9 and name  HB1)   2.845    1.045    1.045  
assign (resid  38 and name   HA)   (resid  38 and name  HD#)   2.955    1.155    1.155  
assign (resid  11 and name   HA)   (resid  14 and name HD1#)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  14 and name HD2#)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid   9 and name  HD#)   2.955    1.155    1.155  
assign (resid   9 and name  HD#)   (resid  34 and name   HA)   3.065    1.265    1.265  
assign (resid   9 and name  HE#)   (resid  34 and name   HA)   2.450    0.650    0.650  
assign (resid  34 and name   HA)   (resid  37 and name HD1#)   3.190    1.390    1.390  
assign (resid  34 and name   HA)   (resid  37 and name HD2#)   3.190    1.390    1.390  
assign (resid  18 and name   HB)   (resid  19 and name  HB#)   3.650    1.850    1.850  
assign (resid  27 and name  HB2)   (resid  27 and name   HE)   3.210    1.410    1.410  
assign (resid  27 and name  HB1)   (resid  27 and name   HE)   3.210    1.410    1.410  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   2.430    0.630    0.630  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.815    1.015    1.015  
assign (resid  15 and name   HN)   (resid  15 and name  HG1)   2.990    1.190    1.190  
assign (resid  15 and name   HN)   (resid  15 and name  HD#)   3.300    1.500    1.500  
assign (resid  15 and name  HB#)   (resid  15 and name   HE)   3.150    1.350    1.350  
assign (resid   6 and name   HA)   (resid   6 and name  HG#)   3.015    1.215    1.215  
assign (resid  15 and name  HB#)   (resid  15 and name  HD#)   2.845    1.045    1.045  
assign (resid  15 and name   HA)   (resid  15 and name  HD#)   3.020    1.220    1.220  
assign (resid   3 and name  HA#)   (resid   4 and name   HN)   2.610    0.810    0.810  
assign (resid  15 and name   HA)   (resid  15 and name   HE)   3.650    1.850    1.850  
assign (resid  21 and name  HB#)   (resid  21 and name  HD#)   2.885    1.085    1.085  
assign (resid   6 and name  HB2)   (resid   6 and name   HE)   3.320    1.520    1.520  
assign (resid   6 and name  HB1)   (resid   6 and name   HE)   3.320    1.520    1.520  
assign (resid   6 and name   HN)   (resid   6 and name  HD#)   3.650    1.850    1.850  
assign (resid  21 and name   HN)   (resid  21 and name  HD#)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid   6 and name   HE)   3.650    1.850    1.850  
assign (resid  38 and name   HN)   (resid  39 and name   HN)   2.955    1.155    1.155  
assign (resid  40 and name   HA)   (resid  40 and name   HE)   3.650    1.850    1.850  
assign (resid  27 and name   HA)   (resid  27 and name   HE)   3.650    1.850    1.850  
assign (resid   8 and name  HG1)   (resid   9 and name   HN)   3.650    1.850    1.850  
assign (resid  38 and name   HA)   (resid  38 and name   HE)   3.650    1.850    1.850  
assign (resid  38 and name  HB#)   (resid  38 and name   HE)   3.650    1.850    1.850  
assign (resid  38 and name   HN)   (resid  38 and name  HB#)   2.680    0.880    0.880  
assign (resid  38 and name   HN)   (resid  38 and name  HD#)   3.160    1.360    1.360  
assign (resid   2 and name  HB2)   (resid   2 and name   HE)   3.650    1.850    1.850  
assign (resid   2 and name  HB1)   (resid   2 and name   HE)   3.650    1.850    1.850  
assign (resid   2 and name   HA)   (resid   2 and name   HE)   3.650    1.850    1.850  
assign (resid  21 and name   HA)   (resid  21 and name   HE)   3.650    1.850    1.850  
assign (resid  44 and name   HA)   (resid  44 and name   HE)   3.650    1.850    1.850  
assign (resid  44 and name   HN)   (resid  44 and name  HD#)   2.910    1.110    1.110  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   2.815    1.015    1.015  
assign (resid  37 and name   HA)   (resid  40 and name   HN)   2.975    1.175    1.175  
assign (resid  10 and name   HA)   (resid  13 and name  HG2)   3.650    1.850    1.850  
assign (resid  10 and name   HA)   (resid  13 and name  HG1)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  14 and name  HB2)   3.025    1.225    1.225  
assign (resid  11 and name   HA)   (resid  14 and name  HB1)   3.025    1.225    1.225  
assign (resid  17 and name   HA)   (resid  26 and name HE21)   2.880    1.080    1.080  
assign (resid   8 and name   HA)   (resid  11 and name   HN)   3.025    1.225    1.225  
assign (resid  34 and name   HA)   (resid  37 and name   HN)   2.825    1.025    1.025  
assign (resid  11 and name   HA)   (resid  15 and name   HN)   3.345    1.545    1.545  
assign (resid   6 and name   HA)   (resid   9 and name   HN)   2.900    1.100    1.100  
assign (resid  23 and name   HA)   (resid  25 and name   HN)   3.420    1.620    1.620  
assign (resid  23 and name   HA)   (resid  27 and name   HN)   3.545    1.745    1.745  
assign (resid   4 and name  HB2)   (resid   6 and name   HN)   3.090    1.290    1.290  
assign (resid   4 and name  HB1)   (resid   6 and name   HN)   3.090    1.290    1.290  
assign (resid  26 and name  HB#)   (resid  27 and name   HN)   2.845    1.045    1.045  
assign (resid  18 and name   HN)   (resid  19 and name  HB#)   3.110    1.310    1.310  
assign (resid  35 and name   HN)   (resid  36 and name   HN)   2.730    0.930    0.930  
assign (resid   9 and name  HD#)   (resid  33 and name   HA)   3.605    1.805    1.805  
assign (resid  17 and name   HA)   (resid  26 and name HE22)   2.880    1.080    1.080  
assign (resid  14 and name   HN)   (resid  14 and name HD1#)   3.355    1.555    1.555  
assign (resid  36 and name   HA)   (resid  36 and name  HD2)   3.370    1.570    1.570  
assign (resid  36 and name   HA)   (resid  36 and name  HD1)   3.370    1.570    1.570  
assign (resid  40 and name   HA)   (resid  40 and name  HD#)   3.255    1.455    1.455  
assign (resid  37 and name  HB2)   (resid  37 and name HD2#)   2.610    0.810    0.810  
assign (resid   1 and name  HG#)   (resid   2 and name   HN)   3.390    1.590    1.590  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   3.370    1.570    1.570  
assign (resid   1 and name   HA)   (resid   1 and name  HG#)   2.835    1.035    1.035  
assign (resid   1 and name  HB#)   (resid   1 and name  HG#)   2.265    0.465    0.465  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.575    0.775    0.775  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   3.100    1.300    1.300  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.430    0.630    0.630  
assign (resid   4 and name  HB#)   (resid   7 and name   HN)   2.695    0.895    0.895  
assign (resid   4 and name  HB#)   (resid   7 and name  HB#)   2.625    0.825    0.825  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   2.950    1.150    1.150  
assign (resid   5 and name  HB#)   (resid  37 and name  HD#)   2.690    0.890    0.890  
assign (resid   5 and name  HG#)   (resid   6 and name   HN)   2.770    0.970    0.970  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.590    0.790    0.790  
assign (resid   6 and name   HN)   (resid  37 and name  HD#)   3.620    1.820    1.820  
assign (resid   6 and name   HA)   (resid   9 and name  HB#)   2.480    0.680    0.680  
assign (resid   6 and name   HA)   (resid  37 and name  HD#)   2.880    1.080    1.080  
assign (resid   6 and name  HB#)   (resid   6 and name   HE)   2.930    1.130    1.130  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.770    0.970    0.970  
assign (resid   8 and name   HN)   (resid   8 and name  HG#)   2.575    0.775    0.775  
assign (resid   8 and name   HA)   (resid   8 and name  HG#)   2.735    0.935    0.935  
assign (resid   8 and name   HA)   (resid  11 and name  HG*)   2.750    0.950    0.950  
assign (resid   8 and name  HG#)   (resid   9 and name   HN)   3.270    1.470    1.470  
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.360    0.560    0.560  
assign (resid   9 and name   HN)   (resid  37 and name  HD#)   3.140    1.340    1.340  
assign (resid   9 and name   HA)   (resid  12 and name  HB#)   2.780    0.980    0.980  
assign (resid   9 and name  HB#)   (resid  37 and name  HD#)   2.410    0.610    0.610  
assign (resid   9 and name  HD#)   (resid  37 and name  HB#)   3.525    1.725    1.725  
assign (resid   9 and name  HE#)   (resid  13 and name  HD#)   2.615    0.815    0.815  
assign (resid   9 and name  HE#)   (resid  34 and name  HB#)   2.740    0.940    0.940  
assign (resid   9 and name  HE#)   (resid  37 and name  HB#)   3.195    1.395    1.395  
assign (resid   9 and name  HE#)   (resid  37 and name  HD#)   3.010    1.210    1.210  
assign (resid  10 and name   HN)   (resid  11 and name  HG*)   3.505    1.705    1.705  
assign (resid  10 and name   HN)   (resid  37 and name  HD#)   3.620    1.820    1.820  
assign (resid  10 and name   HA)   (resid  13 and name  HB#)   3.090    1.290    1.290  
assign (resid  10 and name   HA)   (resid  13 and name  HG#)   3.275    1.475    1.475  
assign (resid  11 and name   HN)   (resid  11 and name  HG*)   2.435    0.635    0.635  
assign (resid  11 and name   HA)   (resid  11 and name  HG*)   2.340    0.540    0.540  
assign (resid  11 and name   HA)   (resid  14 and name  HD#)   2.930    1.130    1.130  
assign (resid  11 and name  HG*)   (resid  12 and name   HN)   2.835    1.035    1.035  
assign (resid  11 and name  HG*)   (resid  15 and name   HN)   3.170    1.370    1.370  
assign (resid  11 and name  HG*)   (resid  15 and name  HD#)   2.910    1.110    1.110  
assign (resid  11 and name  HG*)   (resid  15 and name   HE)   3.070    1.270    1.270  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.305    0.505    0.505  
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   2.520    0.720    0.720  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.560    0.760    0.760  
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   2.800    1.000    1.000  
assign (resid  13 and name   HA)   (resid  13 and name  HG#)   2.700    0.900    0.900  
assign (resid  13 and name   HA)   (resid  13 and name  HD#)   3.570    1.770    1.770  
assign (resid  13 and name   HA)   (resid  16 and name  HB#)   2.860    1.060    1.060  
assign (resid  13 and name  HB#)   (resid  13 and name   HE)   3.185    1.385    1.385  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.690    0.890    0.890  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.390    0.590    0.590  
assign (resid  14 and name   HA)   (resid  14 and name  HD#)   2.705    0.905    0.905  
assign (resid  14 and name  HB#)   (resid  15 and name   HN)   2.535    0.735    0.735  
assign (resid  15 and name   HN)   (resid  15 and name  HG#)   2.720    0.920    0.920  
assign (resid  15 and name   HA)   (resid  15 and name  HG#)   2.680    0.880    0.880  
assign (resid  15 and name  HG#)   (resid  15 and name   HE)   2.710    0.910    0.910  
assign (resid  15 and name  HG#)   (resid  16 and name   HN)   3.570    1.770    1.770  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.375    0.575    0.575  
assign (resid  16 and name  HB#)   (resid  17 and name   HN)   2.645    0.845    0.845  
assign (resid  17 and name   HN)   (resid  17 and name  HG#)   2.605    0.805    0.805  
assign (resid  17 and name   HA)   (resid  26 and name HE2#)   2.620    0.820    0.820  
assign (resid  17 and name  HG#)   (resid  18 and name   HN)   3.165    1.365    1.365  
assign (resid  18 and name   HN)   (resid  18 and name  HG*)   2.435    0.635    0.635  
assign (resid  18 and name   HA)   (resid  18 and name  HG*)   2.215    0.415    0.415  
assign (resid  18 and name  HG*)   (resid  19 and name   HN)   2.810    1.010    1.010  
assign (resid  19 and name  HB#)   (resid  20 and name  HG#)   2.900    1.100    1.100  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.525    0.725    0.725  
assign (resid  20 and name   HN)   (resid  20 and name  HG#)   2.635    0.835    0.835  
assign (resid  20 and name   HA)   (resid  20 and name  HG#)   2.755    0.955    0.955  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   3.085    1.285    1.285  
assign (resid  21 and name   HN)   (resid  21 and name  HG#)   2.730    0.930    0.930  
assign (resid  21 and name   HA)   (resid  21 and name  HG#)   2.695    0.895    0.895  
assign (resid  21 and name   HA)   (resid  26 and name HE2#)   2.850    1.050    1.050  
assign (resid  21 and name  HG#)   (resid  22 and name   HN)   3.265    1.465    1.465  
assign (resid  22 and name  HA#)   (resid  23 and name  HG*)   3.250    1.450    1.450  
assign (resid  23 and name   HN)   (resid  23 and name  HG*)   2.360    0.560    0.560  
assign (resid  23 and name   HA)   (resid  23 and name  HG*)   2.425    0.625    0.625  
assign (resid  23 and name  HG*)   (resid  25 and name   HN)   3.620    1.820    1.820  
assign (resid  23 and name  HG*)   (resid  27 and name   HN)   3.415    1.615    1.615  
assign (resid  23 and name  HG*)   (resid  27 and name  HD#)   2.810    1.010    1.010  
assign (resid  23 and name  HG*)   (resid  27 and name   HE)   3.125    1.325    1.325  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.285    0.485    0.485  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.635    0.835    0.835  
assign (resid  25 and name   HN)   (resid  25 and name  HG#)   2.700    0.900    0.900  
assign (resid  25 and name   HA)   (resid  25 and name  HG#)   2.615    0.815    0.815  
assign (resid  26 and name   HA)   (resid  29 and name  HB#)   2.560    0.760    0.760  
assign (resid  26 and name  HB#)   (resid  26 and name HE2#)   2.765    0.965    0.965  
assign (resid  26 and name  HG#)   (resid  26 and name HE2#)   2.585    0.785    0.785  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.290    0.490    0.490  
assign (resid  27 and name  HB#)   (resid  27 and name  HD#)   2.455    0.655    0.655  
assign (resid  28 and name   HN)   (resid  28 and name  HG#)   2.695    0.895    0.895  
assign (resid  29 and name  HB#)   (resid  30 and name   HN)   2.465    0.665    0.665  
assign (resid  30 and name   HN)   (resid  30 and name  HB#)   2.375    0.575    0.575  
assign (resid  31 and name   HA)   (resid  34 and name  HB#)   3.395    1.595    1.595  
assign (resid  34 and name   HN)   (resid  34 and name  HB#)   2.310    0.510    0.510  
assign (resid  34 and name   HA)   (resid  37 and name  HB#)   3.175    1.375    1.375  
assign (resid  34 and name   HA)   (resid  37 and name  HD#)   2.550    0.750    0.750  
assign (resid  34 and name  HB#)   (resid  37 and name  HD#)   3.435    1.635    1.635  
assign (resid  34 and name  HG#)   (resid  37 and name  HD#)   3.140    1.340    1.340  
assign (resid  35 and name   HN)   (resid  37 and name  HD#)   3.620    1.820    1.820  
assign (resid  36 and name   HN)   (resid  36 and name  HB#)   2.490    0.690    0.690  
assign (resid  36 and name   HN)   (resid  36 and name  HG#)   3.115    1.315    1.315  
assign (resid  36 and name   HN)   (resid  37 and name  HD#)   3.620    1.820    1.820  
assign (resid  36 and name   HA)   (resid  36 and name  HD#)   3.055    1.255    1.255  
assign (resid  36 and name  HB#)   (resid  36 and name   HE)   2.960    1.160    1.160  
assign (resid  36 and name  HB#)   (resid  37 and name   HN)   2.745    0.945    0.945  
assign (resid  36 and name  HB#)   (resid  37 and name  HD#)   2.690    0.890    0.890  
assign (resid  36 and name  HG#)   (resid  36 and name   HE)   2.710    0.910    0.910  
assign (resid  36 and name  HD#)   (resid  37 and name  HD#)   3.370    1.570    1.570  
assign (resid  37 and name   HN)   (resid  37 and name  HB#)   2.455    0.655    0.655  
assign (resid  37 and name   HA)   (resid  37 and name  HD#)   2.375    0.575    0.575  
assign (resid  37 and name   HA)   (resid  40 and name  HB#)   3.225    1.425    1.425  
assign (resid  37 and name  HB#)   (resid  37 and name  HD#)   2.160    0.360    0.360  
assign (resid  37 and name  HB#)   (resid  40 and name   HN)   3.350    1.550    1.550  
assign (resid  38 and name   HN)   (resid  38 and name  HG#)   3.010    1.210    1.210  
assign (resid  38 and name   HA)   (resid  38 and name  HG#)   2.755    0.955    0.955  
assign (resid  39 and name   HN)   (resid  39 and name  HB#)   2.505    0.705    0.705  
assign (resid  39 and name   HN)   (resid  39 and name  HG#)   2.660    0.860    0.860  
assign (resid  40 and name   HN)   (resid  40 and name  HB#)   2.320    0.520    0.520  
assign (resid  40 and name  HB#)   (resid  40 and name  HD#)   2.645    0.845    0.845  
assign (resid  40 and name  HB#)   (resid  40 and name   HE)   3.020    1.220    1.220  
assign (resid  40 and name  HB#)   (resid  41 and name   HN)   2.550    0.750    0.750  
assign (resid  41 and name   HN)   (resid  41 and name  HB#)   2.640    0.840    0.840  
assign (resid  42 and name   HN)   (resid  42 and name  HB#)   2.375    0.575    0.575  
assign (resid  44 and name   HN)   (resid  44 and name  HB#)   2.520    0.720    0.720  
assign (resid  44 and name  HB#)   (resid  44 and name   HE)   3.570    1.770    1.770  
assign (resid  47 and name   HN)   (resid  47 and name  HB#)   2.505    0.705    0.705  
assign (resid  48 and name   HN)   (resid  48 and name  HG*)   2.780    0.980    0.980  
assign (resid  48 and name  HG*)   (resid  49 and name   HN)   3.230    1.430    1.430  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PCA   1           H        PGL   1 -15.130   4.951  -7.083
    2    HA   PCA   1           HA       PGL   1 -15.038   6.882  -5.301
    3    HB2  PCA   1           HB1      PGL   1 -15.971   6.291  -3.297
    4    HB3  PCA   1           HB2      PGL   1 -14.987   4.801  -3.236
    5    HG2  PCA   1           HG1      PGL   1 -17.780   5.096  -4.041
    6    HG3  PCA   1           HG2      PGL   1 -16.807   3.596  -3.856
    7    H    ARG   2           H        ARG   2 -13.233   6.735  -3.486
    8    HA   ARG   2           HA       ARG   2 -10.927   5.655  -4.855
    9    HB2  ARG   2           HB2      ARG   2 -10.841   7.938  -3.917
   10    HB3  ARG   2           HB1      ARG   2 -11.090   7.284  -2.307
   11    HG2  ARG   2           HG2      ARG   2  -8.960   6.168  -2.374
   12    HG3  ARG   2           HG1      ARG   2  -8.712   6.651  -4.050
   13    HD2  ARG   2           HD2      ARG   2  -7.439   8.109  -2.608
   14    HD3  ARG   2           HD1      ARG   2  -8.760   9.014  -3.337
   15    HE   ARG   2           HE       ARG   2  -9.097   7.903  -0.652
   16   HH11  ARG   2          HH11      ARG   2  -8.807  10.764  -2.736
   17   HH12  ARG   2          HH12      ARG   2  -9.206  11.867  -1.498
   18   HH21  ARG   2          HH21      ARG   2  -9.611   9.449   1.046
   19   HH22  ARG   2          HH22      ARG   2  -9.655  11.111   0.712
   20    H    GLY   3           H        GLY   3 -12.649   5.188  -1.800
   21    HA2  GLY   3           HA2      GLY   3 -12.893   3.158  -0.760
   22    HA3  GLY   3           HA1      GLY   3 -11.546   2.534  -1.704
   23    H    SER   4           H        SER   4 -11.732   2.026   0.883
   24    HA   SER   4           HA       SER   4  -9.923   3.786   2.299
   25    HB2  SER   4           HB2      SER   4 -11.250   1.207   3.172
   26    HB3  SER   4           HB1      SER   4 -10.491   2.418   4.211
   27    HG   SER   4           HG       SER   4 -12.090   3.858   3.709
   28    HA   PRO   5           HA       PRO   5  -6.515   1.490   0.473
   29    HB2  PRO   5           HB2      PRO   5  -5.072   2.460   2.881
   30    HB3  PRO   5           HB1      PRO   5  -4.631   2.595   1.176
   31    HG2  PRO   5           HG2      PRO   5  -5.561   4.692   2.497
   32    HG3  PRO   5           HG1      PRO   5  -6.035   4.392   0.817
   33    HD2  PRO   5           HD2      PRO   5  -7.590   3.959   3.330
   34    HD3  PRO   5           HD1      PRO   5  -8.138   4.513   1.732
   35    H    ARG   6           H        ARG   6  -7.000   1.291   3.992
   36    HA   ARG   6           HA       ARG   6  -5.520  -1.129   4.150
   37    HB2  ARG   6           HB2      ARG   6  -7.356   0.075   6.227
   38    HB3  ARG   6           HB1      ARG   6  -6.287  -1.291   6.488
   39    HG2  ARG   6           HG2      ARG   6  -4.352   0.124   5.949
   40    HG3  ARG   6           HG1      ARG   6  -5.437   1.500   5.765
   41    HD2  ARG   6           HD2      ARG   6  -5.017  -0.108   8.282
   42    HD3  ARG   6           HD1      ARG   6  -4.360   1.492   7.947
   43    HE   ARG   6           HE       ARG   6  -7.245   1.210   7.857
   44   HH11  ARG   6          HH11      ARG   6  -4.433   2.123   9.813
   45   HH12  ARG   6          HH12      ARG   6  -5.335   3.135  10.852
   46   HH21  ARG   6          HH21      ARG   6  -8.475   2.552   9.352
   47   HH22  ARG   6          HH22      ARG   6  -7.655   3.347  10.606
   48    H    ALA   7           H        ALA   7  -8.891  -0.400   3.693
   49    HA   ALA   7           HA       ALA   7  -9.869  -3.016   4.167
   50    HB1  ALA   7           HB1      ALA   7 -11.845  -2.309   2.891
   51    HB2  ALA   7           HB2      ALA   7 -10.979  -0.874   2.345
   52    HB3  ALA   7           HB3      ALA   7 -11.375  -1.067   4.052
   53    H    GLU   8           H        GLU   8  -8.868  -1.300   1.243
   54    HA   GLU   8           HA       GLU   8  -9.183  -3.390  -0.603
   55    HB2  GLU   8           HB2      GLU   8  -7.101  -1.195  -0.609
   56    HB3  GLU   8           HB1      GLU   8  -7.559  -2.170  -1.992
   57    HG2  GLU   8           HG2      GLU   8  -9.818  -1.217  -1.897
   58    HG3  GLU   8           HG1      GLU   8  -9.317  -0.210  -0.537
   59    H    TYR   9           H        TYR   9  -6.474  -2.444   1.406
   60    HA   TYR   9           HA       TYR   9  -4.538  -4.305   0.673
   61    HB2  TYR   9           HB2      TYR   9  -4.016  -2.402   2.076
   62    HB3  TYR   9           HB1      TYR   9  -5.156  -2.943   3.292
   63    HD1  TYR   9           HD1      TYR   9  -1.822  -3.556   1.820
   64    HD2  TYR   9           HD2      TYR   9  -4.539  -4.510   4.940
   65    HE1  TYR   9           HE1      TYR   9  -0.007  -4.663   3.065
   66    HE2  TYR   9           HE2      TYR   9  -2.761  -5.608   6.181
   67    HH   TYR   9           HH       TYR   9   0.514  -5.287   5.425
   68    H    GLU  10           H        GLU  10  -7.033  -4.517   3.208
   69    HA   GLU  10           HA       GLU  10  -6.395  -7.135   3.973
   70    HB2  GLU  10           HB2      GLU  10  -8.851  -5.457   4.377
   71    HB3  GLU  10           HB1      GLU  10  -8.703  -7.085   5.027
   72    HG2  GLU  10           HG2      GLU  10  -6.793  -4.833   5.620
   73    HG3  GLU  10           HG1      GLU  10  -8.146  -5.296   6.650
   74    H    VAL  11           H        VAL  11  -8.769  -5.896   1.650
   75    HA   VAL  11           HA       VAL  11  -9.982  -8.345   0.998
   76    HB   VAL  11           HB       VAL  11  -9.468  -5.973  -0.855
   77   HG11  VAL  11          HG11      VAL  11 -11.256  -6.883  -2.276
   78   HG12  VAL  11          HG12      VAL  11 -11.366  -8.299  -1.231
   79   HG13  VAL  11          3HG1      VAL  11  -9.898  -8.004  -2.162
   80   HG21  VAL  11          HG21      VAL  11 -11.938  -6.767   0.688
   81   HG22  VAL  11          HG22      VAL  11 -11.807  -5.397  -0.414
   82   HG23  VAL  11          HG23      VAL  11 -10.863  -5.424   1.076
   83    H    CYS  12           H        CYS  12  -7.164  -6.785  -0.377
   84    HA   CYS  12           HA       CYS  12  -6.313  -8.550  -2.296
   85    HB2  CYS  12           HB2      CYS  12  -5.173  -6.482  -1.999
   86    HB3  CYS  12           HB1      CYS  12  -4.790  -6.852  -0.326
   87    H    ARG  13           H        ARG  13  -5.819  -8.750   1.169
   88    HA   ARG  13           HA       ARG  13  -4.170 -11.121   1.052
   89    HB2  ARG  13           HB2      ARG  13  -5.572  -9.858   3.402
   90    HB3  ARG  13           HB1      ARG  13  -4.238 -11.002   3.462
   91    HG2  ARG  13           HG2      ARG  13  -2.788  -9.345   2.384
   92    HG3  ARG  13           HG1      ARG  13  -4.133  -8.226   2.336
   93    HD2  ARG  13           HD2      ARG  13  -2.675  -7.746   4.237
   94    HD3  ARG  13           HD1      ARG  13  -4.296  -8.214   4.747
   95    HE   ARG  13           HE       ARG  13  -2.146 -10.217   4.697
   96   HH11  ARG  13          HH11      ARG  13  -4.480  -8.278   6.593
   97   HH12  ARG  13          HH12      ARG  13  -4.234  -9.207   7.994
   98   HH21  ARG  13          HH21      ARG  13  -1.849 -11.398   6.531
   99   HH22  ARG  13          HH22      ARG  13  -2.712 -11.062   7.981
  100    H    LEU  14           H        LEU  14  -7.466 -10.295   1.968
  101    HA   LEU  14           HA       LEU  14  -8.379 -12.718   2.913
  102    HB2  LEU  14           HB2      LEU  14  -9.578 -10.586   3.073
  103    HB3  LEU  14           HB1      LEU  14  -9.889 -10.635   1.352
  104    HG   LEU  14           HG       LEU  14 -11.216 -12.715   1.715
  105   HD11  LEU  14          HD11      LEU  14 -10.848 -12.019   4.620
  106   HD12  LEU  14          HD12      LEU  14 -10.236 -13.456   3.796
  107   HD13  LEU  14          HD13      LEU  14 -11.973 -13.215   3.979
  108   HD21  LEU  14          HD21      LEU  14 -12.097 -10.256   3.206
  109   HD22  LEU  14          HD22      LEU  14 -13.151 -11.557   2.655
  110   HD23  LEU  14          HD23      LEU  14 -12.295 -10.558   1.480
  111    H    ARG  15           H        ARG  15  -8.317 -11.504  -0.409
  112    HA   ARG  15           HA       ARG  15  -9.696 -13.547  -1.708
  113    HB2  ARG  15           HB2      ARG  15  -7.263 -12.083  -2.763
  114    HB3  ARG  15           HB1      ARG  15  -8.404 -12.987  -3.737
  115    HG2  ARG  15           HG2      ARG  15 -10.172 -11.366  -2.979
  116    HG3  ARG  15           HG1      ARG  15  -8.879 -10.428  -2.244
  117    HD2  ARG  15           HD2      ARG  15  -9.166 -11.105  -5.169
  118    HD3  ARG  15           HD1      ARG  15  -9.417  -9.530  -4.425
  119    HE   ARG  15           HE       ARG  15  -6.777 -10.587  -4.004
  120   HH11  ARG  15          HH11      ARG  15  -8.791  -8.774  -6.269
  121   HH12  ARG  15          HH12      ARG  15  -7.485  -8.017  -7.050
  122   HH21  ARG  15          HH21      ARG  15  -4.991  -9.613  -5.097
  123   HH22  ARG  15          HH22      ARG  15  -5.235  -8.510  -6.379
  124    H    CYS  16           H        CYS  16  -6.319 -13.363  -0.800
  125    HA   CYS  16           HA       CYS  16  -5.645 -15.862  -1.989
  126    HB2  CYS  16           HB2      CYS  16  -4.155 -14.099  -0.060
  127    HB3  CYS  16           HB1      CYS  16  -3.446 -15.470  -0.906
  128    H    GLN  17           H        GLN  17  -6.559 -14.779   1.211
  129    HA   GLN  17           HA       GLN  17  -5.792 -17.154   2.542
  130    HB2  GLN  17           HB2      GLN  17  -7.794 -15.033   3.313
  131    HB3  GLN  17           HB1      GLN  17  -7.278 -16.340   4.373
  132    HG2  GLN  17           HG2      GLN  17  -4.983 -15.531   4.288
  133    HG3  GLN  17           HG1      GLN  17  -5.463 -14.264   3.170
  134   HE21  GLN  17          1HE2      GLN  17  -7.431 -15.213   5.902
  135   HE22  GLN  17          2HE2      GLN  17  -7.195 -13.765   6.794
  136    H    VAL  18           H        VAL  18  -8.744 -16.160   0.960
  137    HA   VAL  18           HA       VAL  18 -10.128 -18.556   1.800
  138    HB   VAL  18           HB       VAL  18 -11.011 -16.407  -0.149
  139   HG11  VAL  18          HG11      VAL  18 -12.622 -18.573   1.204
  140   HG12  VAL  18          HG12      VAL  18 -12.215 -18.494  -0.508
  141   HG13  VAL  18          3HG1      VAL  18 -13.278 -17.278   0.200
  142   HG21  VAL  18          HG21      VAL  18 -11.702 -16.774   2.765
  143   HG22  VAL  18          HG22      VAL  18 -12.373 -15.545   1.694
  144   HG23  VAL  18          HG23      VAL  18 -10.657 -15.519   2.102
  145    H    ALA  19           H        ALA  19  -8.881 -17.234  -1.294
  146    HA   ALA  19           HA       ALA  19  -9.778 -19.614  -2.663
  147    HB1  ALA  19           HB1      ALA  19  -9.175 -18.520  -4.715
  148    HB2  ALA  19           HB2      ALA  19  -8.372 -17.227  -3.823
  149    HB3  ALA  19           HB3      ALA  19 -10.119 -17.434  -3.698
  150    H    GLU  20           H        GLU  20  -6.569 -18.126  -2.056
  151    HA   GLU  20           HA       GLU  20  -5.453 -20.572  -3.248
  152    HB2  GLU  20           HB2      GLU  20  -4.195 -17.828  -3.235
  153    HB3  GLU  20           HB1      GLU  20  -3.498 -19.277  -3.941
  154    HG2  GLU  20           HG2      GLU  20  -5.443 -19.385  -5.476
  155    HG3  GLU  20           HG1      GLU  20  -5.980 -17.839  -4.827
  156    H    ARG  21           H        ARG  21  -5.264 -21.697  -1.340
  157    HA   ARG  21           HA       ARG  21  -3.856 -20.312   0.747
  158    HB2  ARG  21           HB2      ARG  21  -4.470 -22.131   2.278
  159    HB3  ARG  21           HB1      ARG  21  -5.858 -21.382   1.519
  160    HG2  ARG  21           HG2      ARG  21  -5.869 -23.333  -0.085
  161    HG3  ARG  21           HG1      ARG  21  -4.676 -24.087   0.979
  162    HD2  ARG  21           HD2      ARG  21  -6.857 -24.863   1.614
  163    HD3  ARG  21           HD1      ARG  21  -6.262 -23.777   2.875
  164    HE   ARG  21           HE       ARG  21  -7.855 -22.577   0.803
  165   HH11  ARG  21          HH11      ARG  21  -7.882 -23.904   4.092
  166   HH12  ARG  21          HH12      ARG  21  -9.376 -23.205   4.504
  167   HH21  ARG  21          HH21      ARG  21  -9.877 -21.601   1.377
  168   HH22  ARG  21          HH22      ARG  21 -10.550 -21.882   2.919
  169    H    GLY  22           H        GLY  22  -2.022 -20.191  -0.388
  170    HA2  GLY  22           HA2      GLY  22  -0.268 -22.500   0.076
  171    HA3  GLY  22           HA1      GLY  22  -0.126 -21.491  -1.373
  172    H    VAL  23           H        VAL  23   1.660 -21.960   1.029
  173    HA   VAL  23           HA       VAL  23   1.517 -19.717   2.669
  174    HB   VAL  23           HB       VAL  23   2.704 -21.692   3.433
  175   HG11  VAL  23          HG11      VAL  23   4.810 -21.074   1.382
  176   HG12  VAL  23          HG12      VAL  23   3.732 -22.469   1.395
  177   HG13  VAL  23          3HG1      VAL  23   4.952 -22.284   2.654
  178   HG21  VAL  23          HG21      VAL  23   4.700 -20.645   4.428
  179   HG22  VAL  23          HG22      VAL  23   3.282 -19.598   4.512
  180   HG23  VAL  23          HG23      VAL  23   4.532 -19.295   3.305
  181    H    GLU  24           H        GLU  24   3.725 -20.170  -0.112
  182    HA   GLU  24           HA       GLU  24   4.850 -17.592   0.293
  183    HB2  GLU  24           HB2      GLU  24   5.055 -19.440  -2.081
  184    HB3  GLU  24           HB1      GLU  24   5.950 -17.941  -1.897
  185    HG2  GLU  24           HG2      GLU  24   6.143 -20.378  -0.156
  186    HG3  GLU  24           HG1      GLU  24   7.352 -19.784  -1.291
  187    H    GLN  25           H        GLN  25   2.275 -18.856  -1.650
  188    HA   GLN  25           HA       GLN  25   1.924 -16.637  -3.339
  189    HB2  GLN  25           HB2      GLN  25  -0.111 -18.620  -2.309
  190    HB3  GLN  25           HB1      GLN  25  -0.468 -17.405  -3.525
  191    HG2  GLN  25           HG2      GLN  25   1.522 -19.656  -3.783
  192    HG3  GLN  25           HG1      GLN  25  -0.058 -19.557  -4.557
  193   HE21  GLN  25          1HE2      GLN  25   3.217 -18.420  -4.579
  194   HE22  GLN  25          2HE2      GLN  25   3.138 -17.615  -6.091
  195    H    GLN  26           H        GLN  26   0.389 -17.433  -0.246
  196    HA   GLN  26           HA       GLN  26  -1.085 -15.030  -0.068
  197    HB2  GLN  26           HB2      GLN  26  -0.187 -16.918   2.083
  198    HB3  GLN  26           HB1      GLN  26  -1.377 -15.640   2.316
  199    HG2  GLN  26           HG2      GLN  26  -2.852 -16.720   0.719
  200    HG3  GLN  26           HG1      GLN  26  -1.639 -17.964   0.422
  201   HE21  GLN  26          1HE2      GLN  26  -4.335 -18.254   1.355
  202   HE22  GLN  26          2HE2      GLN  26  -4.230 -19.024   2.905
  203    H    ARG  27           H        ARG  27   2.169 -15.897   0.925
  204    HA   ARG  27           HA       ARG  27   2.691 -13.604   2.484
  205    HB2  ARG  27           HB2      ARG  27   4.653 -15.149   0.761
  206    HB3  ARG  27           HB1      ARG  27   5.100 -13.944   1.944
  207    HG2  ARG  27           HG2      ARG  27   3.849 -16.639   2.489
  208    HG3  ARG  27           HG1      ARG  27   5.518 -16.176   2.784
  209    HD2  ARG  27           HD2      ARG  27   4.502 -16.088   4.890
  210    HD3  ARG  27           HD1      ARG  27   4.544 -14.407   4.368
  211    HE   ARG  27           HE       ARG  27   2.150 -16.105   4.119
  212   HH11  ARG  27          HH11      ARG  27   3.652 -13.059   5.150
  213   HH12  ARG  27          HH12      ARG  27   2.172 -12.327   5.560
  214   HH21  ARG  27          HH21      ARG  27   0.162 -15.135   4.749
  215   HH22  ARG  27          HH22      ARG  27   0.118 -13.514   5.301
  216    H    LYS  28           H        LYS  28   3.199 -14.274  -0.955
  217    HA   LYS  28           HA       LYS  28   4.208 -11.771  -1.671
  218    HB2  LYS  28           HB2      LYS  28   2.688 -13.790  -3.318
  219    HB3  LYS  28           HB1      LYS  28   3.515 -12.388  -3.984
  220    HG2  LYS  28           HG2      LYS  28   5.640 -13.237  -3.117
  221    HG3  LYS  28           HG1      LYS  28   4.799 -14.643  -2.468
  222    HD2  LYS  28           HD2      LYS  28   4.185 -15.349  -4.674
  223    HD3  LYS  28           HD1      LYS  28   4.855 -13.870  -5.371
  224    HE2  LYS  28           HE2      LYS  28   7.072 -14.513  -4.513
  225    HE3  LYS  28           HE1      LYS  28   6.387 -16.015  -3.906
  226    HZ1  LYS  28           HZ1      LYS  28   6.472 -15.199  -6.766
  227    HZ2  LYS  28           HZ2      LYS  28   5.882 -16.673  -6.171
  228    HZ3  LYS  28           HZ3      LYS  28   7.514 -16.273  -6.011
  229    H    CYS  29           H        CYS  29   0.910 -12.982  -1.566
  230    HA   CYS  29           HA       CYS  29  -0.472 -10.903  -2.698
  231    HB2  CYS  29           HB2      CYS  29  -1.249 -12.537  -0.287
  232    HB3  CYS  29           HB1      CYS  29  -2.357 -11.519  -1.193
  233    H    GLU  30           H        GLU  30   0.265 -11.155   0.821
  234    HA   GLU  30           HA       GLU  30  -0.689  -8.514   1.131
  235    HB2  GLU  30           HB2      GLU  30   0.127  -8.709   3.511
  236    HB3  GLU  30           HB1      GLU  30  -1.105  -9.843   3.021
  237    HG2  GLU  30           HG2      GLU  30   0.626 -11.557   2.756
  238    HG3  GLU  30           HG1      GLU  30   1.815 -10.396   3.355
  239    H    GLN  31           H        GLN  31   2.499  -9.859   0.743
  240    HA   GLN  31           HA       GLN  31   3.869  -7.535   1.542
  241    HB2  GLN  31           HB2      GLN  31   4.701  -9.787  -0.267
  242    HB3  GLN  31           HB1      GLN  31   5.778  -8.472   0.182
  243    HG2  GLN  31           HG2      GLN  31   5.616  -9.073   2.511
  244    HG3  GLN  31           HG1      GLN  31   4.421 -10.314   2.135
  245   HE21  GLN  31          1HE2      GLN  31   5.674 -11.918   2.987
  246   HE22  GLN  31          2HE2      GLN  31   7.103 -12.522   2.248
  247    H    VAL  32           H        VAL  32   2.799  -8.578  -1.689
  248    HA   VAL  32           HA       VAL  32   3.886  -6.334  -3.022
  249    HB   VAL  32           HB       VAL  32   1.670  -8.231  -3.871
  250   HG11  VAL  32          HG11      VAL  32   3.136  -6.189  -5.556
  251   HG12  VAL  32          HG12      VAL  32   1.428  -6.136  -5.114
  252   HG13  VAL  32          3HG1      VAL  32   2.024  -7.414  -6.169
  253   HG21  VAL  32          HG21      VAL  32   3.830  -9.287  -3.598
  254   HG22  VAL  32          HG22      VAL  32   4.581  -8.069  -4.627
  255   HG23  VAL  32          HG23      VAL  32   3.408  -9.197  -5.308
  256    H    CYS  33           H        CYS  33   0.784  -6.876  -1.479
  257    HA   CYS  33           HA       CYS  33  -0.173  -4.360  -2.385
  258    HB2  CYS  33           HB2      CYS  33  -1.279  -6.301  -0.356
  259    HB3  CYS  33           HB1      CYS  33  -2.043  -4.742  -0.677
  260    H    GLU  34           H        GLU  34   1.503  -5.426   0.503
  261    HA   GLU  34           HA       GLU  34   1.166  -3.055   1.990
  262    HB2  GLU  34           HB2      GLU  34   1.917  -5.285   2.901
  263    HB3  GLU  34           HB1      GLU  34   3.425  -5.080   2.056
  264    HG2  GLU  34           HG2      GLU  34   2.593  -3.064   4.088
  265    HG3  GLU  34           HG1      GLU  34   3.253  -4.608   4.609
  266    H    GLU  35           H        GLU  35   3.616  -4.018  -0.401
  267    HA   GLU  35           HA       GLU  35   5.107  -1.640  -0.054
  268    HB2  GLU  35           HB2      GLU  35   6.217  -2.242  -2.236
  269    HB3  GLU  35           HB1      GLU  35   6.280  -3.484  -0.998
  270    HG2  GLU  35           HG2      GLU  35   4.452  -4.646  -2.066
  271    HG3  GLU  35           HG1      GLU  35   4.376  -3.402  -3.310
  272    H    ARG  36           H        ARG  36   2.267  -2.322  -1.866
  273    HA   ARG  36           HA       ARG  36   2.284   0.007  -3.535
  274    HB2  ARG  36           HB2      ARG  36   0.759  -1.965  -3.868
  275    HB3  ARG  36           HB1      ARG  36  -0.102  -1.485  -2.419
  276    HG2  ARG  36           HG2      ARG  36  -0.598   0.700  -3.529
  277    HG3  ARG  36           HG1      ARG  36   0.084   0.029  -5.011
  278    HD2  ARG  36           HD2      ARG  36  -2.284  -0.260  -5.108
  279    HD3  ARG  36           HD1      ARG  36  -1.559  -1.841  -4.824
  280    HE   ARG  36           HE       ARG  36  -2.546  -0.262  -2.578
  281   HH11  ARG  36          HH11      ARG  36  -2.677  -3.261  -4.471
  282   HH12  ARG  36          HH12      ARG  36  -3.956  -3.937  -3.583
  283   HH21  ARG  36          HH21      ARG  36  -4.325  -1.216  -1.337
  284   HH22  ARG  36          HH22      ARG  36  -4.911  -2.765  -1.784
  285    H    LEU  37           H        LEU  37   1.026  -0.828  -0.371
  286    HA   LEU  37           HA       LEU  37  -0.228   1.565   0.298
  287    HB2  LEU  37           HB2      LEU  37   0.802  -0.776   1.802
  288    HB3  LEU  37           HB1      LEU  37   0.491   0.669   2.729
  289    HG   LEU  37           HG       LEU  37  -1.364  -1.009   2.751
  290   HD11  LEU  37          HD11      LEU  37  -2.027   1.672   1.579
  291   HD12  LEU  37          HD12      LEU  37  -1.761   1.289   3.287
  292   HD13  LEU  37          HD13      LEU  37  -3.141   0.592   2.429
  293   HD21  LEU  37          HD21      LEU  37  -1.252  -1.783   0.442
  294   HD22  LEU  37          HD22      LEU  37  -1.706  -0.180  -0.130
  295   HD23  LEU  37          HD23      LEU  37  -2.856  -1.138   0.801
  296    H    ARG  38           H        ARG  38   3.104   0.555   0.572
  297    HA   ARG  38           HA       ARG  38   4.134   2.653   2.105
  298    HB2  ARG  38           HB2      ARG  38   5.489   1.282  -0.226
  299    HB3  ARG  38           HB1      ARG  38   6.299   2.266   0.982
  300    HG2  ARG  38           HG2      ARG  38   5.706   0.677   2.705
  301    HG3  ARG  38           HG1      ARG  38   4.825  -0.298   1.530
  302    HD2  ARG  38           HD2      ARG  38   6.976  -0.542   0.263
  303    HD3  ARG  38           HD1      ARG  38   7.784   0.259   1.610
  304    HE   ARG  38           HE       ARG  38   6.270  -1.826   2.632
  305   HH11  ARG  38          HH11      ARG  38   9.139  -1.449   0.574
  306   HH12  ARG  38          HH12      ARG  38   9.803  -2.962   0.983
  307   HH21  ARG  38          HH21      ARG  38   7.191  -3.822   3.199
  308   HH22  ARG  38          HH22      ARG  38   8.687  -4.371   2.559
  309    H    GLU  39           H        GLU  39   3.659   2.484  -1.407
  310    HA   GLU  39           HA       GLU  39   4.660   5.098  -1.887
  311    HB2  GLU  39           HB2      GLU  39   2.873   3.367  -3.590
  312    HB3  GLU  39           HB1      GLU  39   3.665   4.840  -4.135
  313    HG2  GLU  39           HG2      GLU  39   5.838   3.797  -3.659
  314    HG3  GLU  39           HG1      GLU  39   4.995   2.308  -3.228
  315    H    ARG  40           H        ARG  40   1.580   3.800  -1.111
  316    HA   ARG  40           HA       ARG  40  -0.000   6.049  -1.716
  317    HB2  ARG  40           HB2      ARG  40  -1.038   3.906  -1.407
  318    HB3  ARG  40           HB1      ARG  40  -0.353   3.746   0.196
  319    HG2  ARG  40           HG2      ARG  40  -2.704   4.181   0.379
  320    HG3  ARG  40           HG1      ARG  40  -1.810   5.572   0.974
  321    HD2  ARG  40           HD2      ARG  40  -3.018   5.391  -1.793
  322    HD3  ARG  40           HD1      ARG  40  -3.832   6.094  -0.404
  323    HE   ARG  40           HE       ARG  40  -1.253   7.244  -0.987
  324   HH11  ARG  40          HH11      ARG  40  -4.744   7.483  -1.510
  325   HH12  ARG  40          HH12      ARG  40  -4.659   9.106  -2.063
  326   HH21  ARG  40          HH21      ARG  40  -1.179   9.477  -1.786
  327   HH22  ARG  40          HH22      ARG  40  -2.661  10.247  -2.149
  328    H    GLU  41           H        GLU  41   1.542   4.948   1.267
  329    HA   GLU  41           HA       GLU  41   0.621   7.221   2.730
  330    HB2  GLU  41           HB2      GLU  41   2.534   5.040   3.496
  331    HB3  GLU  41           HB1      GLU  41   1.809   6.208   4.604
  332    HG2  GLU  41           HG2      GLU  41   0.310   4.188   2.949
  333    HG3  GLU  41           HG1      GLU  41   0.672   4.040   4.665
  334    H    GLN  42           H        GLN  42   3.546   6.414   1.044
  335    HA   GLN  42           HA       GLN  42   4.960   8.673   2.196
  336    HB2  GLN  42           HB2      GLN  42   5.703   6.784  -0.035
  337    HB3  GLN  42           HB1      GLN  42   6.725   8.096   0.520
  338    HG2  GLN  42           HG2      GLN  42   6.902   7.041   2.710
  339    HG3  GLN  42           HG1      GLN  42   5.835   5.740   2.171
  340   HE21  GLN  42          1HE2      GLN  42   7.401   4.166   2.464
  341   HE22  GLN  42          2HE2      GLN  42   8.765   4.018   1.414
  342    H    GLY  43           H        GLY  43   2.573   8.355   0.014
  343    HA2  GLY  43           HA2      GLY  43   3.339  10.837  -1.310
  344    HA3  GLY  43           HA1      GLY  43   2.886   9.457  -2.296
  345    H    ARG  44           H        ARG  44   1.551  10.964   0.668
  346    HA   ARG  44           HA       ARG  44  -1.086  10.908  -0.571
  347    HB2  ARG  44           HB2      ARG  44  -0.246  11.885   2.189
  348    HB3  ARG  44           HB1      ARG  44  -1.879  11.836   1.584
  349    HG2  ARG  44           HG2      ARG  44  -1.796   9.386   1.531
  350    HG3  ARG  44           HG1      ARG  44  -0.138   9.439   2.150
  351    HD2  ARG  44           HD2      ARG  44  -0.886  10.597   4.142
  352    HD3  ARG  44           HD1      ARG  44  -2.533  10.638   3.534
  353    HE   ARG  44           HE       ARG  44  -1.480   7.964   3.807
  354   HH11  ARG  44          HH11      ARG  44  -3.181  10.589   5.469
  355   HH12  ARG  44          HH12      ARG  44  -3.785   9.612   6.712
  356   HH21  ARG  44          HH21      ARG  44  -2.283   6.632   5.527
  357   HH22  ARG  44          HH22      ARG  44  -3.264   7.283   6.755
  358    H    GLY  45           H        GLY  45  -1.787  12.634  -1.629
  359    HA2  GLY  45           HA2      GLY  45  -0.264  15.146  -1.318
  360    HA3  GLY  45           HA1      GLY  45  -1.163  14.680  -2.767
  361    H    GLU  46           H        GLU  46  -2.758  16.183  -2.901
  362    HA   GLU  46           HA       GLU  46  -4.288  16.639  -0.499
  363    HB2  GLU  46           HB2      GLU  46  -4.582  17.790  -3.264
  364    HB3  GLU  46           HB1      GLU  46  -5.713  18.116  -1.962
  365    HG2  GLU  46           HG2      GLU  46  -3.817  19.038  -0.648
  366    HG3  GLU  46           HG1      GLU  46  -2.803  18.848  -2.078
  367    H    ASP  47           H        ASP  47  -4.675  14.408  -0.409
  368    HA   ASP  47           HA       ASP  47  -6.618  13.331  -2.268
  369    HB2  ASP  47           HB2      ASP  47  -5.180  12.164   0.116
  370    HB3  ASP  47           HB1      ASP  47  -6.492  11.318  -0.688
  371    H    VAL  48           H        VAL  48  -6.339  14.504   0.941
  372    HA   VAL  48           HA       VAL  48  -7.757  15.146   2.524
  373    HB   VAL  48           HB       VAL  48 -10.020  14.718   0.528
  374   HG11  VAL  48          HG11      VAL  48 -10.024  16.193   3.166
  375   HG12  VAL  48          HG12      VAL  48 -10.809  14.649   2.843
  376   HG13  VAL  48          3HG1      VAL  48 -11.372  16.108   2.031
  377   HG21  VAL  48          HG21      VAL  48  -8.453  16.442  -0.215
  378   HG22  VAL  48          HG22      VAL  48  -8.601  17.259   1.340
  379   HG23  VAL  48          HG23      VAL  48  -9.992  17.158   0.261
  380    H    ASP  49           H        ASP  49  -7.225  13.554   3.803
  381    HA   ASP  49           HA       ASP  49  -9.179  11.481   4.188
  382    HB2  ASP  49           HB2      ASP  49  -7.534  10.484   2.611
  383    HB3  ASP  49           HB1      ASP  49  -6.253  10.836   3.768
  Start of MODEL    2
    1    H    PCA   1           H        PGL   1 -10.146   6.518   2.700
    2    HA   PCA   1           HA       PGL   1 -12.389   7.321   3.556
    3    HB2  PCA   1           HB1      PGL   1 -12.904   9.398   2.797
    4    HB3  PCA   1           HB2      PGL   1 -13.188   8.694   1.181
    5    HG2  PCA   1           HG1      PGL   1 -10.956  10.333   2.042
    6    HG3  PCA   1           HG2      PGL   1 -11.264   9.614   0.423
    7    H    ARG   2           H        ARG   2 -13.505   5.536   3.389
    8    HA   ARG   2           HA       ARG   2 -14.753   3.855   2.626
    9    HB2  ARG   2           HB2      ARG   2 -14.819   5.429   0.051
   10    HB3  ARG   2           HB1      ARG   2 -15.787   3.993   0.366
   11    HG2  ARG   2           HG2      ARG   2 -16.929   5.164   2.170
   12    HG3  ARG   2           HG1      ARG   2 -15.929   6.588   1.875
   13    HD2  ARG   2           HD2      ARG   2 -18.125   6.819   0.825
   14    HD3  ARG   2           HD1      ARG   2 -16.837   6.778  -0.368
   15    HE   ARG   2           HE       ARG   2 -17.435   4.486  -0.814
   16   HH11  ARG   2          HH11      ARG   2 -19.860   6.354   0.974
   17   HH12  ARG   2          HH12      ARG   2 -21.180   5.473   0.350
   18   HH21  ARG   2          HH21      ARG   2 -19.280   3.303  -1.684
   19   HH22  ARG   2          HH22      ARG   2 -20.846   3.737  -1.177
   20    H    GLY   3           H        GLY   3 -13.276   4.412  -0.529
   21    HA2  GLY   3           HA2      GLY   3 -12.162   1.735  -0.529
   22    HA3  GLY   3           HA1      GLY   3 -12.076   2.911  -1.844
   23    H    SER   4           H        SER   4 -11.038   2.548   1.429
   24    HA   SER   4           HA       SER   4  -8.778   4.272   1.158
   25    HB2  SER   4           HB2      SER   4  -9.626   2.465   3.421
   26    HB3  SER   4           HB1      SER   4  -8.531   3.845   3.531
   27    HG   SER   4           HG       SER   4 -11.203   3.783   3.622
   28    HA   PRO   5           HA       PRO   5  -5.470   1.537   0.098
   29    HB2  PRO   5           HB2      PRO   5  -3.762   1.944   2.290
   30    HB3  PRO   5           HB1      PRO   5  -3.776   2.844   0.771
   31    HG2  PRO   5           HG2      PRO   5  -5.003   3.534   3.392
   32    HG3  PRO   5           HG1      PRO   5  -4.275   4.597   2.177
   33    HD2  PRO   5           HD2      PRO   5  -6.918   4.448   2.466
   34    HD3  PRO   5           HD1      PRO   5  -6.182   4.605   0.859
   35    H    ARG   6           H        ARG   6  -6.065   1.350   3.654
   36    HA   ARG   6           HA       ARG   6  -5.143  -1.329   3.690
   37    HB2  ARG   6           HB2      ARG   6  -4.947  -0.050   5.752
   38    HB3  ARG   6           HB1      ARG   6  -6.697   0.158   5.829
   39    HG2  ARG   6           HG2      ARG   6  -6.985  -2.245   6.060
   40    HG3  ARG   6           HG1      ARG   6  -5.249  -2.468   5.963
   41    HD2  ARG   6           HD2      ARG   6  -4.930  -1.414   8.062
   42    HD3  ARG   6           HD1      ARG   6  -6.622  -0.881   8.125
   43    HE   ARG   6           HE       ARG   6  -7.105  -3.349   7.937
   44   HH11  ARG   6          HH11      ARG   6  -4.371  -2.080   9.854
   45   HH12  ARG   6          HH12      ARG   6  -4.294  -3.450  10.864
   46   HH21  ARG   6          HH21      ARG   6  -6.947  -5.209   9.287
   47   HH22  ARG   6          HH22      ARG   6  -5.797  -5.276  10.539
   48    H    ALA   7           H        ALA   7  -8.214   0.110   3.176
   49    HA   ALA   7           HA       ALA   7  -9.820  -2.154   3.669
   50    HB1  ALA   7           HB1      ALA   7 -10.730   0.134   3.464
   51    HB2  ALA   7           HB2      ALA   7 -11.539  -0.985   2.374
   52    HB3  ALA   7           HB3      ALA   7 -10.324   0.133   1.748
   53    H    GLU   8           H        GLU   8  -8.414  -0.864   0.685
   54    HA   GLU   8           HA       GLU   8  -9.171  -3.027  -0.974
   55    HB2  GLU   8           HB2      GLU   8  -6.805  -1.164  -1.284
   56    HB3  GLU   8           HB1      GLU   8  -7.507  -2.159  -2.548
   57    HG2  GLU   8           HG2      GLU   8  -9.576  -0.866  -2.424
   58    HG3  GLU   8           HG1      GLU   8  -8.876   0.126  -1.145
   59    H    TYR   9           H        TYR   9  -6.450  -2.409   1.087
   60    HA   TYR   9           HA       TYR   9  -4.619  -4.392   0.377
   61    HB2  TYR   9           HB2      TYR   9  -4.201  -2.517   1.933
   62    HB3  TYR   9           HB1      TYR   9  -5.260  -3.289   3.099
   63    HD1  TYR   9           HD1      TYR   9  -4.518  -5.495   4.140
   64    HD2  TYR   9           HD2      TYR   9  -2.003  -3.073   1.770
   65    HE1  TYR   9           HE1      TYR   9  -2.570  -6.625   5.089
   66    HE2  TYR   9           HE2      TYR   9  -0.067  -4.127   2.667
   67    HH   TYR   9           HH       TYR   9   0.613  -5.411   4.631
   68    H    GLU  10           H        GLU  10  -7.164  -4.450   2.870
   69    HA   GLU  10           HA       GLU  10  -6.570  -7.106   3.482
   70    HB2  GLU  10           HB2      GLU  10  -8.947  -5.430   4.275
   71    HB3  GLU  10           HB1      GLU  10  -8.656  -7.067   4.876
   72    HG2  GLU  10           HG2      GLU  10  -6.480  -6.350   5.756
   73    HG3  GLU  10           HG1      GLU  10  -6.803  -4.716   5.198
   74    H    VAL  11           H        VAL  11  -8.924  -5.700   1.308
   75    HA   VAL  11           HA       VAL  11 -10.217  -8.112   0.627
   76    HB   VAL  11           HB       VAL  11  -9.626  -5.750  -1.211
   77   HG11  VAL  11          HG11      VAL  11 -11.701  -7.924  -1.454
   78   HG12  VAL  11          HG12      VAL  11 -10.270  -7.749  -2.467
   79   HG13  VAL  11          3HG1      VAL  11 -11.548  -6.532  -2.524
   80   HG21  VAL  11          HG21      VAL  11 -12.063  -6.334   0.467
   81   HG22  VAL  11          HG22      VAL  11 -11.882  -4.989  -0.659
   82   HG23  VAL  11          HG23      VAL  11 -10.865  -5.077   0.778
   83    H    CYS  12           H        CYS  12  -7.242  -6.653  -0.468
   84    HA   CYS  12           HA       CYS  12  -6.460  -8.322  -2.541
   85    HB2  CYS  12           HB2      CYS  12  -5.274  -6.294  -2.170
   86    HB3  CYS  12           HB1      CYS  12  -4.893  -6.733  -0.516
   87    H    ARG  13           H        ARG  13  -5.777  -8.714   0.950
   88    HA   ARG  13           HA       ARG  13  -4.481 -11.255   0.437
   89    HB2  ARG  13           HB2      ARG  13  -4.217 -11.468   2.864
   90    HB3  ARG  13           HB1      ARG  13  -3.702  -9.877   2.335
   91    HG2  ARG  13           HG2      ARG  13  -5.882  -8.981   3.098
   92    HG3  ARG  13           HG1      ARG  13  -6.275 -10.578   3.727
   93    HD2  ARG  13           HD2      ARG  13  -3.930  -8.875   4.575
   94    HD3  ARG  13           HD1      ARG  13  -5.415  -9.083   5.489
   95    HE   ARG  13           HE       ARG  13  -3.641 -11.364   4.878
   96   HH11  ARG  13          HH11      ARG  13  -5.513  -9.507   7.252
   97   HH12  ARG  13          HH12      ARG  13  -4.983 -10.402   8.580
   98   HH21  ARG  13          HH21      ARG  13  -2.967 -12.636   6.709
   99   HH22  ARG  13          HH22      ARG  13  -3.536 -12.268   8.264
  100    H    LEU  14           H        LEU  14  -7.688 -10.212   1.446
  101    HA   LEU  14           HA       LEU  14  -8.690 -12.699   2.147
  102    HB2  LEU  14           HB2      LEU  14  -9.884 -10.154   1.301
  103    HB3  LEU  14           HB1      LEU  14 -10.867 -11.554   0.941
  104    HG   LEU  14           HG       LEU  14 -11.554 -10.566   3.032
  105   HD11  LEU  14          HD11      LEU  14 -10.150 -13.185   3.497
  106   HD12  LEU  14          HD12      LEU  14 -11.764 -12.960   2.828
  107   HD13  LEU  14          HD13      LEU  14 -11.428 -12.493   4.495
  108   HD21  LEU  14          HD21      LEU  14  -9.463  -9.503   3.701
  109   HD22  LEU  14          HD22      LEU  14  -8.752 -11.086   4.019
  110   HD23  LEU  14          HD23      LEU  14 -10.105 -10.512   4.996
  111    H    ARG  15           H        ARG  15  -8.196 -11.327  -1.023
  112    HA   ARG  15           HA       ARG  15  -9.564 -13.111  -2.653
  113    HB2  ARG  15           HB2      ARG  15  -6.778 -12.031  -3.129
  114    HB3  ARG  15           HB1      ARG  15  -7.792 -12.771  -4.351
  115    HG2  ARG  15           HG2      ARG  15  -8.367 -10.212  -2.883
  116    HG3  ARG  15           HG1      ARG  15  -7.769 -10.356  -4.535
  117    HD2  ARG  15           HD2      ARG  15  -9.825 -11.549  -5.155
  118    HD3  ARG  15           HD1      ARG  15 -10.409 -11.362  -3.499
  119    HE   ARG  15           HE       ARG  15  -9.721  -8.869  -4.425
  120   HH11  ARG  15          HH11      ARG  15 -12.129 -11.352  -5.184
  121   HH12  ARG  15          HH12      ARG  15 -13.299 -10.261  -5.739
  122   HH21  ARG  15          HH21      ARG  15 -11.340  -7.345  -5.186
  123   HH22  ARG  15          HH22      ARG  15 -12.849  -7.933  -5.723
  124    H    CYS  16           H        CYS  16  -6.367 -13.437  -1.263
  125    HA   CYS  16           HA       CYS  16  -5.904 -16.023  -2.359
  126    HB2  CYS  16           HB2      CYS  16  -4.468 -14.349  -0.337
  127    HB3  CYS  16           HB1      CYS  16  -3.819 -15.852  -0.960
  128    H    GLN  17           H        GLN  17  -7.246 -14.804   0.582
  129    HA   GLN  17           HA       GLN  17  -6.908 -17.257   2.021
  130    HB2  GLN  17           HB2      GLN  17  -8.645 -14.860   2.640
  131    HB3  GLN  17           HB1      GLN  17  -8.307 -16.186   3.748
  132    HG2  GLN  17           HG2      GLN  17  -5.946 -15.634   3.742
  133    HG3  GLN  17           HG1      GLN  17  -6.229 -14.356   2.569
  134   HE21  GLN  17          1HE2      GLN  17  -5.053 -14.214   5.158
  135   HE22  GLN  17          2HE2      GLN  17  -5.985 -13.098   6.087
  136    H    VAL  18           H        VAL  18  -9.472 -15.730   0.170
  137    HA   VAL  18           HA       VAL  18 -11.394 -17.774   0.682
  138    HB   VAL  18           HB       VAL  18 -11.265 -15.709  -1.558
  139   HG11  VAL  18          HG11      VAL  18 -13.651 -16.167  -1.915
  140   HG12  VAL  18          HG12      VAL  18 -13.570 -17.467  -0.723
  141   HG13  VAL  18          3HG1      VAL  18 -12.666 -17.597  -2.228
  142   HG21  VAL  18          HG21      VAL  18 -11.469 -14.711   0.653
  143   HG22  VAL  18          HG22      VAL  18 -12.854 -15.744   1.008
  144   HG23  VAL  18          HG23      VAL  18 -12.969 -14.518  -0.253
  145    H    ALA  19           H        ALA  19  -8.925 -17.234  -1.740
  146    HA   ALA  19           HA       ALA  19  -9.679 -19.411  -3.436
  147    HB1  ALA  19           HB1      ALA  19  -8.401 -17.505  -4.247
  148    HB2  ALA  19           HB2      ALA  19  -7.558 -19.055  -4.503
  149    HB3  ALA  19           HB3      ALA  19  -7.082 -17.994  -3.168
  150    H    GLU  20           H        GLU  20  -7.879 -19.086  -0.563
  151    HA   GLU  20           HA       GLU  20  -6.940 -20.451   0.851
  152    HB2  GLU  20           HB2      GLU  20  -8.033 -22.632  -0.876
  153    HB3  GLU  20           HB1      GLU  20  -7.483 -22.825   0.802
  154    HG2  GLU  20           HG2      GLU  20  -9.216 -21.236   1.505
  155    HG3  GLU  20           HG1      GLU  20  -9.695 -21.098  -0.188
  156    H    ARG  21           H        ARG  21  -4.883 -20.020   0.662
  157    HA   ARG  21           HA       ARG  21  -3.224 -21.561  -1.233
  158    HB2  ARG  21           HB2      ARG  21  -2.809 -18.622  -0.587
  159    HB3  ARG  21           HB1      ARG  21  -1.930 -19.584  -1.763
  160    HG2  ARG  21           HG2      ARG  21  -4.847 -18.843  -1.963
  161    HG3  ARG  21           HG1      ARG  21  -3.530 -18.020  -2.795
  162    HD2  ARG  21           HD2      ARG  21  -4.105 -20.955  -3.115
  163    HD3  ARG  21           HD1      ARG  21  -4.824 -19.725  -4.146
  164    HE   ARG  21           HE       ARG  21  -2.165 -19.217  -4.237
  165   HH11  ARG  21          HH11      ARG  21  -4.099 -22.108  -4.874
  166   HH12  ARG  21          HH12      ARG  21  -3.136 -22.653  -6.157
  167   HH21  ARG  21          HH21      ARG  21  -0.871 -19.916  -6.055
  168   HH22  ARG  21          HH22      ARG  21  -1.264 -21.359  -6.866
  169    H    GLY  22           H        GLY  22  -0.907 -21.561  -0.471
  170    HA2  GLY  22           HA2      GLY  22  -0.714 -22.177   2.279
  171    HA3  GLY  22           HA1      GLY  22   0.626 -21.994   1.154
  172    H    VAL  23           H        VAL  23   0.703 -21.166   3.821
  173    HA   VAL  23           HA       VAL  23   0.031 -18.517   4.288
  174    HB   VAL  23           HB       VAL  23   0.629 -20.010   6.113
  175   HG11  VAL  23          HG11      VAL  23   3.445 -19.893   5.070
  176   HG12  VAL  23          HG12      VAL  23   2.387 -21.304   5.101
  177   HG13  VAL  23          3HG1      VAL  23   2.955 -20.591   6.613
  178   HG21  VAL  23          HG21      VAL  23   0.813 -17.634   6.557
  179   HG22  VAL  23          HG22      VAL  23   2.473 -17.628   5.966
  180   HG23  VAL  23          HG23      VAL  23   2.067 -18.509   7.438
  181    H    GLU  24           H        GLU  24   2.986 -19.798   2.833
  182    HA   GLU  24           HA       GLU  24   4.355 -17.324   2.726
  183    HB2  GLU  24           HB2      GLU  24   4.638 -19.800   1.026
  184    HB3  GLU  24           HB1      GLU  24   5.724 -18.423   0.947
  185    HG2  GLU  24           HG2      GLU  24   5.246 -20.164   3.348
  186    HG3  GLU  24           HG1      GLU  24   6.667 -20.192   2.302
  187    H    GLN  25           H        GLN  25   2.011 -18.854   0.718
  188    HA   GLN  25           HA       GLN  25   2.326 -17.085  -1.490
  189    HB2  GLN  25           HB2      GLN  25  -0.054 -18.804  -0.761
  190    HB3  GLN  25           HB1      GLN  25   0.267 -18.087  -2.337
  191    HG2  GLN  25           HG2      GLN  25   2.323 -19.444  -2.496
  192    HG3  GLN  25           HG1      GLN  25   1.907 -20.203  -0.965
  193   HE21  GLN  25          1HE2      GLN  25   1.184 -19.955  -4.301
  194   HE22  GLN  25          2HE2      GLN  25   0.152 -21.344  -4.399
  195    H    GLN  26           H        GLN  26   0.183 -17.291   1.304
  196    HA   GLN  26           HA       GLN  26  -1.445 -15.018   0.840
  197    HB2  GLN  26           HB2      GLN  26  -0.428 -15.954   3.558
  198    HB3  GLN  26           HB1      GLN  26  -1.835 -14.960   3.215
  199    HG2  GLN  26           HG2      GLN  26  -1.551 -17.838   2.454
  200    HG3  GLN  26           HG1      GLN  26  -2.406 -17.227   3.867
  201   HE21  GLN  26          1HE2      GLN  26  -3.497 -18.783   1.797
  202   HE22  GLN  26          2HE2      GLN  26  -4.712 -17.796   1.039
  203    H    ARG  27           H        ARG  27   1.673 -15.367   2.458
  204    HA   ARG  27           HA       ARG  27   2.035 -12.689   3.163
  205    HB2  ARG  27           HB2      ARG  27   4.001 -14.921   2.718
  206    HB3  ARG  27           HB1      ARG  27   4.508 -13.320   3.236
  207    HG2  ARG  27           HG2      ARG  27   3.130 -13.505   5.229
  208    HG3  ARG  27           HG1      ARG  27   2.553 -15.080   4.694
  209    HD2  ARG  27           HD2      ARG  27   4.734 -16.033   4.930
  210    HD3  ARG  27           HD1      ARG  27   5.452 -14.447   5.228
  211    HE   ARG  27           HE       ARG  27   3.850 -14.446   7.207
  212   HH11  ARG  27          HH11      ARG  27   5.520 -17.382   6.046
  213   HH12  ARG  27          HH12      ARG  27   5.595 -18.087   7.591
  214   HH21  ARG  27          HH21      ARG  27   3.990 -15.455   9.313
  215   HH22  ARG  27          HH22      ARG  27   4.687 -16.995   9.487
  216    H    LYS  28           H        LYS  28   2.659 -14.325   0.146
  217    HA   LYS  28           HA       LYS  28   4.005 -12.050  -0.982
  218    HB2  LYS  28           HB2      LYS  28   2.873 -14.519  -2.306
  219    HB3  LYS  28           HB1      LYS  28   3.767 -13.268  -3.160
  220    HG2  LYS  28           HG2      LYS  28   4.832 -14.970  -0.914
  221    HG3  LYS  28           HG1      LYS  28   5.182 -15.183  -2.630
  222    HD2  LYS  28           HD2      LYS  28   6.225 -12.963  -2.694
  223    HD3  LYS  28           HD1      LYS  28   5.853 -12.730  -0.990
  224    HE2  LYS  28           HE2      LYS  28   7.254 -14.607  -0.395
  225    HE3  LYS  28           HE1      LYS  28   7.624 -14.902  -2.092
  226    HZ1  LYS  28           HZ1      LYS  28   8.759 -12.815  -2.204
  227    HZ2  LYS  28           HZ2      LYS  28   9.345 -13.660  -0.860
  228    HZ3  LYS  28           HZ3      LYS  28   8.250 -12.395  -0.655
  229    H    CYS  29           H        CYS  29   0.756 -13.250  -0.890
  230    HA   CYS  29           HA       CYS  29  -0.430 -11.493  -2.720
  231    HB2  CYS  29           HB2      CYS  29  -1.512 -12.728  -0.187
  232    HB3  CYS  29           HB1      CYS  29  -2.532 -11.920  -1.358
  233    H    GLU  30           H        GLU  30   0.103 -11.241   0.767
  234    HA   GLU  30           HA       GLU  30  -0.848  -8.615   1.061
  235    HB2  GLU  30           HB2      GLU  30   1.164 -10.153   2.699
  236    HB3  GLU  30           HB1      GLU  30   0.457  -8.615   3.166
  237    HG2  GLU  30           HG2      GLU  30  -1.741  -9.629   3.263
  238    HG3  GLU  30           HG1      GLU  30  -1.073 -11.171   2.720
  239    H    GLN  31           H        GLN  31   2.398  -9.919   0.488
  240    HA   GLN  31           HA       GLN  31   4.047  -7.770   0.828
  241    HB2  GLN  31           HB2      GLN  31   4.808 -10.033   0.201
  242    HB3  GLN  31           HB1      GLN  31   4.240  -9.757  -1.438
  243    HG2  GLN  31           HG2      GLN  31   5.846  -7.845  -1.590
  244    HG3  GLN  31           HG1      GLN  31   6.488  -8.339  -0.026
  245   HE21  GLN  31          1HE2      GLN  31   6.252  -9.079  -3.380
  246   HE22  GLN  31          2HE2      GLN  31   7.431 -10.337  -3.413
  247    H    VAL  32           H        VAL  32   2.453  -8.579  -2.244
  248    HA   VAL  32           HA       VAL  32   3.419  -6.433  -3.749
  249    HB   VAL  32           HB       VAL  32   0.807  -7.942  -4.067
  250   HG11  VAL  32          HG11      VAL  32   0.722  -5.821  -5.291
  251   HG12  VAL  32          HG12      VAL  32   0.832  -7.187  -6.401
  252   HG13  VAL  32          3HG1      VAL  32   2.258  -6.203  -6.070
  253   HG21  VAL  32          HG21      VAL  32   2.037  -9.213  -5.763
  254   HG22  VAL  32          HG22      VAL  32   2.762  -9.375  -4.162
  255   HG23  VAL  32          HG23      VAL  32   3.498  -8.314  -5.363
  256    H    CYS  33           H        CYS  33   0.399  -6.696  -1.938
  257    HA   CYS  33           HA       CYS  33  -0.384  -4.068  -2.632
  258    HB2  CYS  33           HB2      CYS  33  -1.480  -6.027  -0.607
  259    HB3  CYS  33           HB1      CYS  33  -2.250  -4.488  -1.000
  260    H    GLU  34           H        GLU  34   1.359  -5.470   0.035
  261    HA   GLU  34           HA       GLU  34   1.326  -3.273   1.828
  262    HB2  GLU  34           HB2      GLU  34   2.011  -5.608   2.404
  263    HB3  GLU  34           HB1      GLU  34   3.442  -5.398   1.415
  264    HG2  GLU  34           HG2      GLU  34   4.005  -5.158   3.746
  265    HG3  GLU  34           HG1      GLU  34   4.189  -3.613   2.913
  266    H    GLU  35           H        GLU  35   3.413  -4.085  -0.884
  267    HA   GLU  35           HA       GLU  35   5.184  -1.950  -0.461
  268    HB2  GLU  35           HB2      GLU  35   4.532  -3.414  -3.013
  269    HB3  GLU  35           HB1      GLU  35   5.841  -2.251  -2.844
  270    HG2  GLU  35           HG2      GLU  35   5.555  -4.860  -1.380
  271    HG3  GLU  35           HG1      GLU  35   6.712  -4.477  -2.655
  272    H    ARG  36           H        ARG  36   2.022  -2.023  -1.849
  273    HA   ARG  36           HA       ARG  36   2.306   0.572  -3.086
  274    HB2  ARG  36           HB2      ARG  36   0.625  -1.089  -3.924
  275    HB3  ARG  36           HB1      ARG  36  -0.270  -0.879  -2.421
  276    HG2  ARG  36           HG2      ARG  36  -0.529   1.508  -2.924
  277    HG3  ARG  36           HG1      ARG  36   0.310   1.266  -4.450
  278    HD2  ARG  36           HD2      ARG  36  -2.028   1.311  -4.870
  279    HD3  ARG  36           HD1      ARG  36  -1.467  -0.343  -5.090
  280    HE   ARG  36           HE       ARG  36  -2.374  -0.793  -2.849
  281   HH11  ARG  36          HH11      ARG  36  -3.668   1.982  -4.694
  282   HH12  ARG  36          HH12      ARG  36  -5.197   1.891  -3.947
  283   HH21  ARG  36          HH21      ARG  36  -4.528  -0.820  -1.846
  284   HH22  ARG  36          HH22      ARG  36  -5.678   0.363  -2.362
  285    H    LEU  37           H        LEU  37   1.172  -0.732  -0.066
  286    HA   LEU  37           HA       LEU  37   0.201   1.769   0.889
  287    HB2  LEU  37           HB2      LEU  37   0.770  -0.842   2.181
  288    HB3  LEU  37           HB1      LEU  37   0.549   0.582   3.175
  289    HG   LEU  37           HG       LEU  37  -1.660   0.904   2.099
  290   HD11  LEU  37          HD11      LEU  37  -2.728  -1.043   1.041
  291   HD12  LEU  37          HD12      LEU  37  -1.087  -1.703   0.807
  292   HD13  LEU  37          HD13      LEU  37  -1.537  -0.174   0.087
  293   HD21  LEU  37          HD21      LEU  37  -1.195  -1.629   3.575
  294   HD22  LEU  37          HD22      LEU  37  -2.748  -0.757   3.431
  295   HD23  LEU  37          HD23      LEU  37  -1.347   0.003   4.223
  296    H    ARG  38           H        ARG  38   3.204   0.113   0.959
  297    HA   ARG  38           HA       ARG  38   4.728   1.691   2.632
  298    HB2  ARG  38           HB2      ARG  38   5.546  -0.337   1.566
  299    HB3  ARG  38           HB1      ARG  38   5.387   0.398  -0.017
  300    HG2  ARG  38           HG2      ARG  38   7.153   1.976   0.551
  301    HG3  ARG  38           HG1      ARG  38   7.319   1.211   2.134
  302    HD2  ARG  38           HD2      ARG  38   7.948  -0.877   1.107
  303    HD3  ARG  38           HD1      ARG  38   7.660  -0.220  -0.502
  304    HE   ARG  38           HE       ARG  38   9.491   1.365   0.899
  305   HH11  ARG  38          HH11      ARG  38   9.319  -1.772  -0.809
  306   HH12  ARG  38          HH12      ARG  38  10.982  -1.771  -1.188
  307   HH21  ARG  38          HH21      ARG  38  11.775   1.291   0.352
  308   HH22  ARG  38          HH22      ARG  38  12.375  -0.037  -0.516
  309    H    GLU  39           H        GLU  39   3.659   2.223  -0.677
  310    HA   GLU  39           HA       GLU  39   5.074   4.615  -1.175
  311    HB2  GLU  39           HB2      GLU  39   2.467   3.672  -2.389
  312    HB3  GLU  39           HB1      GLU  39   3.533   4.900  -3.049
  313    HG2  GLU  39           HG2      GLU  39   5.253   3.218  -3.418
  314    HG3  GLU  39           HG1      GLU  39   4.205   1.983  -2.724
  315    H    ARG  40           H        ARG  40   2.019   3.873   0.473
  316    HA   ARG  40           HA       ARG  40   1.235   6.646   0.305
  317    HB2  ARG  40           HB2      ARG  40  -0.170   4.232   1.365
  318    HB3  ARG  40           HB1      ARG  40  -0.815   5.862   1.496
  319    HG2  ARG  40           HG2      ARG  40  -0.731   6.068  -0.951
  320    HG3  ARG  40           HG1      ARG  40  -0.167   4.397  -1.047
  321    HD2  ARG  40           HD2      ARG  40  -2.152   3.611  -0.030
  322    HD3  ARG  40           HD1      ARG  40  -2.731   5.254   0.259
  323    HE   ARG  40           HE       ARG  40  -2.252   4.304  -2.468
  324   HH11  ARG  40          HH11      ARG  40  -4.463   5.630  -0.042
  325   HH12  ARG  40          HH12      ARG  40  -5.803   5.681  -1.103
  326   HH21  ARG  40          HH21      ARG  40  -4.080   4.445  -3.927
  327   HH22  ARG  40          HH22      ARG  40  -5.580   5.002  -3.331
  328    H    GLU  41           H        GLU  41   2.328   4.402   2.768
  329    HA   GLU  41           HA       GLU  41   1.838   6.270   4.865
  330    HB2  GLU  41           HB2      GLU  41   3.197   4.759   6.279
  331    HB3  GLU  41           HB1      GLU  41   1.899   3.938   5.431
  332    HG2  GLU  41           HG2      GLU  41   3.487   3.104   3.796
  333    HG3  GLU  41           HG1      GLU  41   4.794   3.938   4.638
  334    H    GLN  42           H        GLN  42   4.486   5.699   2.699
  335    HA   GLN  42           HA       GLN  42   6.221   7.523   4.141
  336    HB2  GLN  42           HB2      GLN  42   7.130   5.583   2.864
  337    HB3  GLN  42           HB1      GLN  42   6.500   6.283   1.387
  338    HG2  GLN  42           HG2      GLN  42   8.860   6.724   1.525
  339    HG3  GLN  42           HG1      GLN  42   7.974   8.234   1.705
  340   HE21  GLN  42          1HE2      GLN  42   8.403   5.805   4.209
  341   HE22  GLN  42          2HE2      GLN  42   9.385   6.798   5.225
  342    H    GLY  43           H        GLY  43   3.781   7.568   1.761
  343    HA2  GLY  43           HA2      GLY  43   4.571  10.184   0.727
  344    HA3  GLY  43           HA1      GLY  43   3.383   9.098   0.015
  345    H    ARG  44           H        ARG  44   4.020  11.252   2.629
  346    HA   ARG  44           HA       ARG  44   1.342  11.276   3.676
  347    HB2  ARG  44           HB2      ARG  44   3.634  13.215   4.031
  348    HB3  ARG  44           HB1      ARG  44   2.139  13.253   4.951
  349    HG2  ARG  44           HG2      ARG  44   2.639  11.163   5.987
  350    HG3  ARG  44           HG1      ARG  44   4.030  10.916   4.930
  351    HD2  ARG  44           HD2      ARG  44   4.720  11.677   7.153
  352    HD3  ARG  44           HD1      ARG  44   5.130  12.841   5.895
  353    HE   ARG  44           HE       ARG  44   2.629  13.456   7.063
  354   HH11  ARG  44          HH11      ARG  44   6.100  13.622   7.747
  355   HH12  ARG  44          HH12      ARG  44   5.974  14.964   8.777
  356   HH21  ARG  44          HH21      ARG  44   2.466  15.347   8.457
  357   HH22  ARG  44          HH22      ARG  44   3.872  15.972   9.175
  358    H    GLY  45           H        GLY  45   3.273  13.196   1.522
  359    HA2  GLY  45           HA2      GLY  45   0.854  14.364   0.399
  360    HA3  GLY  45           HA1      GLY  45   2.189  15.426   0.860
  361    H    GLU  46           H        GLU  46   1.300  15.204  -1.779
  362    HA   GLU  46           HA       GLU  46   3.081  13.402  -3.143
  363    HB2  GLU  46           HB2      GLU  46   1.296  15.587  -4.212
  364    HB3  GLU  46           HB1      GLU  46   2.168  14.420  -5.198
  365    HG2  GLU  46           HG2      GLU  46   0.929  12.609  -4.205
  366    HG3  GLU  46           HG1      GLU  46   0.086  13.736  -3.150
  367    H    ASP  47           H        ASP  47   3.024  16.589  -2.116
  368    HA   ASP  47           HA       ASP  47   4.407  18.371  -2.170
  369    HB2  ASP  47           HB2      ASP  47   5.814  16.728  -0.900
  370    HB3  ASP  47           HB1      ASP  47   6.614  16.319  -2.410
  371    H    VAL  48           H        VAL  48   3.560  19.061  -4.111
  372    HA   VAL  48           HA       VAL  48   5.357  18.793  -6.433
  373    HB   VAL  48           HB       VAL  48   2.466  19.772  -6.406
  374   HG11  VAL  48          HG11      VAL  48   3.713  20.532  -8.347
  375   HG12  VAL  48          HG12      VAL  48   2.495  19.347  -8.819
  376   HG13  VAL  48          3HG1      VAL  48   4.191  18.873  -8.712
  377   HG21  VAL  48          HG21      VAL  48   1.811  17.572  -7.293
  378   HG22  VAL  48          HG22      VAL  48   2.495  17.453  -5.671
  379   HG23  VAL  48          HG23      VAL  48   3.466  17.002  -7.072
  380    H    ASP  49           H        ASP  49   4.756  20.606  -3.877
  381    HA   ASP  49           HA       ASP  49   4.793  23.233  -5.078
  382    HB2  ASP  49           HB2      ASP  49   3.399  22.856  -3.102
  383    HB3  ASP  49           HB1      ASP  49   4.833  22.401  -2.184
  Start of MODEL    3
    1    H    PCA   1           H        PGL   1 -15.643   3.121   1.419
    2    HA   PCA   1           HA       PGL   1 -13.755   1.756   2.382
    3    HB2  PCA   1           HB1      PGL   1 -14.368  -0.415   2.663
    4    HB3  PCA   1           HB2      PGL   1 -14.216  -0.645   0.898
    5    HG2  PCA   1           HG1      PGL   1 -16.653  -0.403   2.508
    6    HG3  PCA   1           HG2      PGL   1 -16.478  -0.807   0.765
    7    H    ARG   2           H        ARG   2 -15.081   1.996  -0.754
    8    HA   ARG   2           HA       ARG   2 -12.796   1.202  -2.190
    9    HB2  ARG   2           HB2      ARG   2 -13.830   2.286  -4.154
   10    HB3  ARG   2           HB1      ARG   2 -14.923   1.192  -3.328
   11    HG2  ARG   2           HG2      ARG   2 -16.038   3.109  -2.280
   12    HG3  ARG   2           HG1      ARG   2 -14.927   4.199  -3.110
   13    HD2  ARG   2           HD2      ARG   2 -17.056   4.055  -4.277
   14    HD3  ARG   2           HD1      ARG   2 -15.749   3.400  -5.264
   15    HE   ARG   2           HE       ARG   2 -17.159   1.486  -3.661
   16   HH11  ARG   2          HH11      ARG   2 -17.040   3.117  -6.773
   17   HH12  ARG   2          HH12      ARG   2 -17.869   1.893  -7.622
   18   HH21  ARG   2          HH21      ARG   2 -18.336  -0.188  -4.781
   19   HH22  ARG   2          HH22      ARG   2 -18.671  -0.024  -6.446
   20    H    GLY   3           H        GLY   3 -11.000   2.175  -2.563
   21    HA2  GLY   3           HA2      GLY   3  -9.708   4.081  -3.186
   22    HA3  GLY   3           HA1      GLY   3 -10.864   5.096  -2.332
   23    H    SER   4           H        SER   4 -10.732   2.962  -0.095
   24    HA   SER   4           HA       SER   4  -8.525   4.275   1.215
   25    HB2  SER   4           HB2      SER   4 -10.603   2.379   2.330
   26    HB3  SER   4           HB1      SER   4  -9.412   3.278   3.260
   27    HG   SER   4           HG       SER   4 -10.300   5.217   2.350
   28    HA   PRO   5           HA       PRO   5  -5.848   0.996  -0.081
   29    HB2  PRO   5           HB2      PRO   5  -3.789   1.596   1.675
   30    HB3  PRO   5           HB1      PRO   5  -4.022   2.323   0.081
   31    HG2  PRO   5           HG2      PRO   5  -4.755   3.355   2.776
   32    HG3  PRO   5           HG1      PRO   5  -4.151   4.239   1.365
   33    HD2  PRO   5           HD2      PRO   5  -6.726   4.298   2.079
   34    HD3  PRO   5           HD1      PRO   5  -6.244   4.323   0.370
   35    H    ARG   6           H        ARG   6  -6.421   1.450   3.408
   36    HA   ARG   6           HA       ARG   6  -5.279  -1.114   4.025
   37    HB2  ARG   6           HB2      ARG   6  -6.058  -0.814   6.328
   38    HB3  ARG   6           HB1      ARG   6  -5.243   0.627   5.751
   39    HG2  ARG   6           HG2      ARG   6  -7.375   1.721   5.407
   40    HG3  ARG   6           HG1      ARG   6  -8.227   0.262   5.915
   41    HD2  ARG   6           HD2      ARG   6  -6.338   1.880   7.636
   42    HD3  ARG   6           HD1      ARG   6  -8.094   1.945   7.715
   43    HE   ARG   6           HE       ARG   6  -7.236  -0.712   8.063
   44   HH11  ARG   6          HH11      ARG   6  -7.162   2.374   9.796
   45   HH12  ARG   6          HH12      ARG   6  -7.233   1.664  11.344
   46   HH21  ARG   6          HH21      ARG   6  -7.334  -1.684  10.224
   47   HH22  ARG   6          HH22      ARG   6  -7.310  -0.645  11.582
   48    H    ALA   7           H        ALA   7  -8.416  -0.007   3.165
   49    HA   ALA   7           HA       ALA   7  -9.844  -2.278   4.092
   50    HB1  ALA   7           HB1      ALA   7 -10.982  -0.151   3.615
   51    HB2  ALA   7           HB2      ALA   7 -11.652  -1.456   2.632
   52    HB3  ALA   7           HB3      ALA   7 -10.536  -0.294   1.915
   53    H    GLU   8           H        GLU   8  -8.615  -1.219   0.988
   54    HA   GLU   8           HA       GLU   8  -9.211  -3.481  -0.546
   55    HB2  GLU   8           HB2      GLU   8  -6.870  -1.606  -0.829
   56    HB3  GLU   8           HB1      GLU   8  -7.515  -2.654  -2.077
   57    HG2  GLU   8           HG2      GLU   8  -9.622  -1.377  -2.010
   58    HG3  GLU   8           HG1      GLU   8  -8.895  -0.297  -0.818
   59    H    TYR   9           H        TYR   9  -6.428  -2.600   1.363
   60    HA   TYR   9           HA       TYR   9  -4.542  -4.501   0.805
   61    HB2  TYR   9           HB2      TYR   9  -4.324  -2.517   2.250
   62    HB3  TYR   9           HB1      TYR   9  -5.254  -3.342   3.482
   63    HD1  TYR   9           HD1      TYR   9  -2.091  -3.082   1.794
   64    HD2  TYR   9           HD2      TYR   9  -4.246  -5.101   4.796
   65    HE1  TYR   9           HE1      TYR   9  -0.006  -3.838   2.702
   66    HE2  TYR   9           HE2      TYR   9  -2.220  -5.929   5.766
   67    HH   TYR   9           HH       TYR   9   0.867  -4.629   4.848
   68    H    GLU  10           H        GLU  10  -6.933  -4.665   3.449
   69    HA   GLU  10           HA       GLU  10  -6.256  -7.291   4.173
   70    HB2  GLU  10           HB2      GLU  10  -8.733  -5.679   4.737
   71    HB3  GLU  10           HB1      GLU  10  -8.374  -7.264   5.445
   72    HG2  GLU  10           HG2      GLU  10  -6.665  -4.823   5.758
   73    HG3  GLU  10           HG1      GLU  10  -7.873  -5.361   6.925
   74    H    VAL  11           H        VAL  11  -8.562  -6.012   1.882
   75    HA   VAL  11           HA       VAL  11  -9.889  -8.468   1.397
   76    HB   VAL  11           HB       VAL  11  -9.638  -6.016  -0.396
   77   HG11  VAL  11          HG11      VAL  11 -10.182  -8.005  -1.718
   78   HG12  VAL  11          HG12      VAL  11 -11.562  -6.911  -1.618
   79   HG13  VAL  11          3HG1      VAL  11 -11.516  -8.369  -0.625
   80   HG21  VAL  11          HG21      VAL  11 -10.787  -5.569   1.701
   81   HG22  VAL  11          HG22      VAL  11 -11.863  -6.938   1.418
   82   HG23  VAL  11          HG23      VAL  11 -11.924  -5.536   0.351
   83    H    CYS  12           H        CYS  12  -7.152  -6.848  -0.152
   84    HA   CYS  12           HA       CYS  12  -6.458  -8.610  -2.167
   85    HB2  CYS  12           HB2      CYS  12  -5.214  -6.584  -1.979
   86    HB3  CYS  12           HB1      CYS  12  -4.793  -6.904  -0.304
   87    H    ARG  13           H        ARG  13  -5.590  -8.698   1.228
   88    HA   ARG  13           HA       ARG  13  -4.052 -11.063   1.127
   89    HB2  ARG  13           HB2      ARG  13  -5.535  -9.884   3.485
   90    HB3  ARG  13           HB1      ARG  13  -4.184 -11.009   3.573
   91    HG2  ARG  13           HG2      ARG  13  -2.704  -9.344   2.623
   92    HG3  ARG  13           HG1      ARG  13  -4.056  -8.241   2.404
   93    HD2  ARG  13           HD2      ARG  13  -3.010  -7.483   4.337
   94    HD3  ARG  13           HD1      ARG  13  -4.382  -8.409   4.924
   95    HE   ARG  13           HE       ARG  13  -2.091 -10.039   4.780
   96   HH11  ARG  13          HH11      ARG  13  -3.641  -7.553   6.795
   97   HH12  ARG  13          HH12      ARG  13  -2.641  -7.857   8.138
   98   HH21  ARG  13          HH21      ARG  13  -0.658 -10.353   6.599
   99   HH22  ARG  13          HH22      ARG  13  -0.940  -9.472   8.038
  100    H    LEU  14           H        LEU  14  -7.390 -10.387   2.036
  101    HA   LEU  14           HA       LEU  14  -8.277 -12.893   2.814
  102    HB2  LEU  14           HB2      LEU  14  -9.531 -10.883   3.194
  103    HB3  LEU  14           HB1      LEU  14  -9.700 -10.620   1.478
  104    HG   LEU  14           HG       LEU  14 -11.139 -12.603   1.322
  105   HD11  LEU  14          HD11      LEU  14 -10.281 -13.856   3.242
  106   HD12  LEU  14          HD12      LEU  14 -12.028 -13.642   3.316
  107   HD13  LEU  14          HD13      LEU  14 -10.980 -12.652   4.330
  108   HD21  LEU  14          HD21      LEU  14 -12.080 -10.390   1.577
  109   HD22  LEU  14          HD22      LEU  14 -12.001 -10.543   3.332
  110   HD23  LEU  14          HD23      LEU  14 -13.066 -11.598   2.397
  111    H    ARG  15           H        ARG  15  -8.287 -11.445  -0.402
  112    HA   ARG  15           HA       ARG  15  -9.585 -13.509  -1.772
  113    HB2  ARG  15           HB2      ARG  15  -7.449 -11.621  -2.788
  114    HB3  ARG  15           HB1      ARG  15  -8.415 -12.663  -3.819
  115    HG2  ARG  15           HG2      ARG  15 -10.435 -11.487  -3.168
  116    HG3  ARG  15           HG1      ARG  15  -9.514 -10.499  -2.034
  117    HD2  ARG  15           HD2      ARG  15  -8.214  -9.593  -3.902
  118    HD3  ARG  15           HD1      ARG  15  -9.168 -10.556  -5.031
  119    HE   ARG  15           HE       ARG  15 -11.039  -9.177  -3.705
  120   HH11  ARG  15          HH11      ARG  15  -8.078  -8.112  -5.336
  121   HH12  ARG  15          HH12      ARG  15  -8.718  -6.601  -5.800
  122   HH21  ARG  15          HH21      ARG  15 -11.900  -7.024  -4.346
  123   HH22  ARG  15          HH22      ARG  15 -10.868  -5.992  -5.227
  124    H    CYS  16           H        CYS  16  -6.166 -13.026  -1.119
  125    HA   CYS  16           HA       CYS  16  -5.428 -15.406  -2.451
  126    HB2  CYS  16           HB2      CYS  16  -3.888 -13.613  -0.603
  127    HB3  CYS  16           HB1      CYS  16  -3.198 -14.992  -1.461
  128    H    GLN  17           H        GLN  17  -6.196 -14.662   0.907
  129    HA   GLN  17           HA       GLN  17  -5.161 -17.030   2.036
  130    HB2  GLN  17           HB2      GLN  17  -7.575 -15.445   2.945
  131    HB3  GLN  17           HB1      GLN  17  -6.775 -16.688   3.886
  132    HG2  GLN  17           HG2      GLN  17  -5.651 -14.019   3.066
  133    HG3  GLN  17           HG1      GLN  17  -6.133 -14.520   4.682
  134   HE21  GLN  17          1HE2      GLN  17  -4.808 -15.953   5.805
  135   HE22  GLN  17          2HE2      GLN  17  -3.165 -16.226   5.351
  136    H    VAL  18           H        VAL  18  -8.061 -16.395   0.277
  137    HA   VAL  18           HA       VAL  18  -9.177 -19.006   0.912
  138    HB   VAL  18           HB       VAL  18 -10.283 -16.727  -0.755
  139   HG11  VAL  18          HG11      VAL  18 -11.189 -18.870  -1.504
  140   HG12  VAL  18          HG12      VAL  18 -12.418 -17.899  -0.696
  141   HG13  VAL  18          3HG1      VAL  18 -11.666 -19.250   0.151
  142   HG21  VAL  18          HG21      VAL  18 -10.132 -16.162   1.594
  143   HG22  VAL  18          HG22      VAL  18 -10.947 -17.660   2.034
  144   HG23  VAL  18          HG23      VAL  18 -11.821 -16.410   1.149
  145    H    ALA  19           H        ALA  19  -8.077 -17.201  -1.972
  146    HA   ALA  19           HA       ALA  19  -8.629 -19.438  -3.686
  147    HB1  ALA  19           HB1      ALA  19  -9.001 -17.149  -4.448
  148    HB2  ALA  19           HB2      ALA  19  -7.871 -18.014  -5.496
  149    HB3  ALA  19           HB3      ALA  19  -7.271 -16.839  -4.325
  150    H    GLU  20           H        GLU  20  -5.635 -17.843  -2.567
  151    HA   GLU  20           HA       GLU  20  -4.063 -19.628  -4.151
  152    HB2  GLU  20           HB2      GLU  20  -3.169 -17.726  -1.978
  153    HB3  GLU  20           HB1      GLU  20  -2.116 -18.570  -3.101
  154    HG2  GLU  20           HG2      GLU  20  -4.135 -16.444  -3.776
  155    HG3  GLU  20           HG1      GLU  20  -2.384 -16.273  -3.778
  156    H    ARG  21           H        ARG  21  -3.442 -21.583  -3.557
  157    HA   ARG  21           HA       ARG  21  -4.004 -22.375  -0.819
  158    HB2  ARG  21           HB2      ARG  21  -3.415 -24.066  -3.235
  159    HB3  ARG  21           HB1      ARG  21  -3.680 -24.723  -1.627
  160    HG2  ARG  21           HG2      ARG  21  -5.910 -23.672  -1.612
  161    HG3  ARG  21           HG1      ARG  21  -5.640 -23.144  -3.272
  162    HD2  ARG  21           HD2      ARG  21  -6.966 -25.154  -3.224
  163    HD3  ARG  21           HD1      ARG  21  -5.395 -25.497  -3.955
  164    HE   ARG  21           HE       ARG  21  -5.051 -26.140  -1.347
  165   HH11  ARG  21          HH11      ARG  21  -7.454 -27.111  -3.759
  166   HH12  ARG  21          HH12      ARG  21  -7.736 -28.645  -3.073
  167   HH21  ARG  21          HH21      ARG  21  -5.426 -28.268  -0.408
  168   HH22  ARG  21          HH22      ARG  21  -6.570 -29.299  -1.098
  169    H    GLY  22           H        GLY  22  -1.507 -21.189  -2.281
  170    HA2  GLY  22           HA2      GLY  22   0.420 -22.741  -0.678
  171    HA3  GLY  22           HA1      GLY  22   0.855 -21.667  -2.011
  172    H    VAL  23           H        VAL  23   1.516 -21.766   0.967
  173    HA   VAL  23           HA       VAL  23   0.250 -19.437   2.036
  174    HB   VAL  23           HB       VAL  23   2.696 -20.900   3.093
  175   HG11  VAL  23          HG11      VAL  23   2.451 -18.656   4.042
  176   HG12  VAL  23          HG12      VAL  23   2.103 -19.887   5.256
  177   HG13  VAL  23          3HG1      VAL  23   0.783 -19.015   4.480
  178   HG21  VAL  23          HG21      VAL  23  -0.219 -21.258   3.785
  179   HG22  VAL  23          HG22      VAL  23   1.129 -22.055   4.593
  180   HG23  VAL  23          HG23      VAL  23   0.787 -22.399   2.897
  181    H    GLU  24           H        GLU  24   3.236 -20.168   0.379
  182    HA   GLU  24           HA       GLU  24   4.524 -17.729   0.859
  183    HB2  GLU  24           HB2      GLU  24   5.876 -18.166  -1.125
  184    HB3  GLU  24           HB1      GLU  24   5.732 -19.617  -0.151
  185    HG2  GLU  24           HG2      GLU  24   4.263 -20.627  -1.695
  186    HG3  GLU  24           HG1      GLU  24   3.969 -19.098  -2.521
  187    H    GLN  25           H        GLN  25   2.140 -18.699  -1.474
  188    HA   GLN  25           HA       GLN  25   2.251 -16.387  -3.097
  189    HB2  GLN  25           HB2      GLN  25   0.005 -18.358  -2.670
  190    HB3  GLN  25           HB1      GLN  25   0.068 -17.164  -3.962
  191    HG2  GLN  25           HG2      GLN  25   1.992 -19.445  -3.556
  192    HG3  GLN  25           HG1      GLN  25   0.714 -19.370  -4.762
  193   HE21  GLN  25          1HE2      GLN  25   3.601 -19.653  -5.115
  194   HE22  GLN  25          2HE2      GLN  25   4.068 -18.319  -6.102
  195    H    GLN  26           H        GLN  26   0.195 -17.403  -0.454
  196    HA   GLN  26           HA       GLN  26  -1.440 -15.121  -0.210
  197    HB2  GLN  26           HB2      GLN  26  -0.417 -17.046   1.896
  198    HB3  GLN  26           HB1      GLN  26  -1.724 -15.895   2.126
  199    HG2  GLN  26           HG2      GLN  26  -3.118 -17.046   0.571
  200    HG3  GLN  26           HG1      GLN  26  -1.788 -18.086   0.070
  201   HE21  GLN  26          1HE2      GLN  26  -3.033 -19.894   0.582
  202   HE22  GLN  26          2HE2      GLN  26  -3.257 -20.435   2.206
  203    H    ARG  27           H        ARG  27   1.720 -15.846   1.217
  204    HA   ARG  27           HA       ARG  27   1.929 -13.393   2.618
  205    HB2  ARG  27           HB2      ARG  27   4.068 -15.314   1.702
  206    HB3  ARG  27           HB1      ARG  27   4.396 -13.895   2.679
  207    HG2  ARG  27           HG2      ARG  27   2.665 -16.234   3.466
  208    HG3  ARG  27           HG1      ARG  27   4.296 -15.898   4.052
  209    HD2  ARG  27           HD2      ARG  27   3.461 -13.741   4.966
  210    HD3  ARG  27           HD1      ARG  27   1.834 -14.210   4.483
  211    HE   ARG  27           HE       ARG  27   3.235 -16.068   6.176
  212   HH11  ARG  27          HH11      ARG  27   0.806 -13.487   5.972
  213   HH12  ARG  27          HH12      ARG  27   0.255 -13.696   7.568
  214   HH21  ARG  27          HH21      ARG  27   2.431 -16.370   8.352
  215   HH22  ARG  27          HH22      ARG  27   1.184 -15.361   8.938
  216    H    LYS  28           H        LYS  28   3.057 -14.398  -0.577
  217    HA   LYS  28           HA       LYS  28   4.349 -11.990  -1.203
  218    HB2  LYS  28           HB2      LYS  28   3.154 -14.115  -2.982
  219    HB3  LYS  28           HB1      LYS  28   4.061 -12.740  -3.607
  220    HG2  LYS  28           HG2      LYS  28   6.034 -13.421  -2.447
  221    HG3  LYS  28           HG1      LYS  28   5.149 -14.675  -1.586
  222    HD2  LYS  28           HD2      LYS  28   4.779 -15.867  -3.683
  223    HD3  LYS  28           HD1      LYS  28   5.633 -14.592  -4.563
  224    HE2  LYS  28           HE2      LYS  28   7.658 -15.055  -3.357
  225    HE3  LYS  28           HE1      LYS  28   6.839 -16.248  -2.351
  226    HZ1  LYS  28           HZ1      LYS  28   6.590 -17.668  -4.248
  227    HZ2  LYS  28           HZ2      LYS  28   8.198 -17.184  -4.173
  228    HZ3  LYS  28           HZ3      LYS  28   7.161 -16.466  -5.287
  229    H    CYS  29           H        CYS  29   1.033 -12.982  -1.514
  230    HA   CYS  29           HA       CYS  29   0.002 -10.767  -2.841
  231    HB2  CYS  29           HB2      CYS  29  -1.096 -12.621  -0.774
  232    HB3  CYS  29           HB1      CYS  29  -2.133 -11.384  -1.427
  233    H    GLU  30           H        GLU  30   0.611 -11.258   0.607
  234    HA   GLU  30           HA       GLU  30  -0.306  -8.747   1.504
  235    HB2  GLU  30           HB2      GLU  30   1.834 -10.552   2.658
  236    HB3  GLU  30           HB1      GLU  30   1.072  -9.211   3.501
  237    HG2  GLU  30           HG2      GLU  30  -1.053 -10.328   3.433
  238    HG3  GLU  30           HG1      GLU  30  -0.362 -11.625   2.467
  239    H    GLN  31           H        GLN  31   2.865  -9.964   0.644
  240    HA   GLN  31           HA       GLN  31   4.427  -7.713   1.043
  241    HB2  GLN  31           HB2      GLN  31   4.693  -9.862  -1.055
  242    HB3  GLN  31           HB1      GLN  31   5.923  -8.674  -0.669
  243    HG2  GLN  31           HG2      GLN  31   6.245  -9.576   1.503
  244    HG3  GLN  31           HG1      GLN  31   4.833 -10.619   1.339
  245   HE21  GLN  31          1HE2      GLN  31   7.009 -10.155  -1.335
  246   HE22  GLN  31          2HE2      GLN  31   7.725 -11.709  -1.305
  247    H    VAL  32           H        VAL  32   2.990  -8.759  -2.071
  248    HA   VAL  32           HA       VAL  32   3.807  -6.513  -3.520
  249    HB   VAL  32           HB       VAL  32   1.495  -8.409  -4.092
  250   HG11  VAL  32          HG11      VAL  32   1.652  -7.642  -6.429
  251   HG12  VAL  32          HG12      VAL  32   2.826  -6.418  -5.941
  252   HG13  VAL  32          3HG1      VAL  32   1.171  -6.345  -5.338
  253   HG21  VAL  32          HG21      VAL  32   3.067  -9.451  -5.664
  254   HG22  VAL  32          HG22      VAL  32   3.661  -9.507  -4.004
  255   HG23  VAL  32          HG23      VAL  32   4.320  -8.327  -5.138
  256    H    CYS  33           H        CYS  33   0.793  -7.055  -1.707
  257    HA   CYS  33           HA       CYS  33  -0.203  -4.552  -2.603
  258    HB2  CYS  33           HB2      CYS  33  -1.214  -6.455  -0.484
  259    HB3  CYS  33           HB1      CYS  33  -1.998  -4.908  -0.811
  260    H    GLU  34           H        GLU  34   1.721  -5.539   0.120
  261    HA   GLU  34           HA       GLU  34   1.475  -3.138   1.609
  262    HB2  GLU  34           HB2      GLU  34   2.383  -5.297   2.506
  263    HB3  GLU  34           HB1      GLU  34   3.812  -5.059   1.514
  264    HG2  GLU  34           HG2      GLU  34   4.248  -2.950   2.735
  265    HG3  GLU  34           HG1      GLU  34   2.880  -3.319   3.782
  266    H    GLU  35           H        GLU  35   3.643  -4.199  -0.959
  267    HA   GLU  35           HA       GLU  35   5.384  -2.010  -0.992
  268    HB2  GLU  35           HB2      GLU  35   4.425  -3.668  -3.330
  269    HB3  GLU  35           HB1      GLU  35   5.811  -2.591  -3.361
  270    HG2  GLU  35           HG2      GLU  35   6.898  -3.966  -1.645
  271    HG3  GLU  35           HG1      GLU  35   5.512  -5.055  -1.662
  272    H    ARG  36           H        ARG  36   2.153  -2.333  -2.159
  273    HA   ARG  36           HA       ARG  36   2.234   0.113  -3.684
  274    HB2  ARG  36           HB2      ARG  36   0.805  -1.866  -4.299
  275    HB3  ARG  36           HB1      ARG  36  -0.181  -1.544  -2.885
  276    HG2  ARG  36           HG2      ARG  36   0.189   0.538  -5.021
  277    HG3  ARG  36           HG1      ARG  36  -0.982  -0.758  -5.213
  278    HD2  ARG  36           HD2      ARG  36  -0.935   1.114  -2.850
  279    HD3  ARG  36           HD1      ARG  36  -1.881   1.415  -4.306
  280    HE   ARG  36           HE       ARG  36  -2.373  -1.152  -3.118
  281   HH11  ARG  36          HH11      ARG  36  -3.212   2.283  -2.896
  282   HH12  ARG  36          HH12      ARG  36  -4.809   2.018  -2.416
  283   HH21  ARG  36          HH21      ARG  36  -4.600  -1.514  -2.348
  284   HH22  ARG  36          HH22      ARG  36  -5.628  -0.156  -2.149
  285    H    LEU  37           H        LEU  37   1.089  -0.953  -0.527
  286    HA   LEU  37           HA       LEU  37  -0.010   1.584   0.145
  287    HB2  LEU  37           HB2      LEU  37   0.467  -0.899   1.702
  288    HB3  LEU  37           HB1      LEU  37   0.246   0.598   2.581
  289    HG   LEU  37           HG       LEU  37  -1.881   0.881   1.291
  290   HD11  LEU  37          HD11      LEU  37  -1.712  -0.507  -0.513
  291   HD12  LEU  37          HD12      LEU  37  -2.981  -1.212   0.499
  292   HD13  LEU  37          HD13      LEU  37  -1.355  -1.911   0.469
  293   HD21  LEU  37          HD21      LEU  37  -1.890   0.322   3.618
  294   HD22  LEU  37          HD22      LEU  37  -1.664  -1.386   3.244
  295   HD23  LEU  37          HD23      LEU  37  -3.163  -0.574   2.790
  296    H    ARG  38           H        ARG  38   3.128   0.395   0.137
  297    HA   ARG  38           HA       ARG  38   4.493   1.710   2.124
  298    HB2  ARG  38           HB2      ARG  38   5.399   0.201   0.283
  299    HB3  ARG  38           HB1      ARG  38   5.428   1.634  -0.733
  300    HG2  ARG  38           HG2      ARG  38   7.612   1.380   0.091
  301    HG3  ARG  38           HG1      ARG  38   6.897   2.690   1.038
  302    HD2  ARG  38           HD2      ARG  38   8.076   1.215   2.525
  303    HD3  ARG  38           HD1      ARG  38   6.344   1.019   2.806
  304    HE   ARG  38           HE       ARG  38   7.769  -0.789   1.004
  305   HH11  ARG  38          HH11      ARG  38   5.693  -0.390   3.881
  306   HH12  ARG  38          HH12      ARG  38   5.645  -2.059   4.177
  307   HH21  ARG  38          HH21      ARG  38   7.573  -3.101   1.444
  308   HH22  ARG  38          HH22      ARG  38   6.654  -3.590   2.782
  309    H    GLU  39           H        GLU  39   3.285   2.988  -0.904
  310    HA   GLU  39           HA       GLU  39   4.402   5.556  -0.984
  311    HB2  GLU  39           HB2      GLU  39   1.640   4.747  -1.897
  312    HB3  GLU  39           HB1      GLU  39   2.577   6.109  -2.476
  313    HG2  GLU  39           HG2      GLU  39   3.268   3.203  -2.878
  314    HG3  GLU  39           HG1      GLU  39   2.540   4.266  -4.075
  315    H    ARG  40           H        ARG  40   1.750   4.243   0.838
  316    HA   ARG  40           HA       ARG  40   0.751   6.864   1.628
  317    HB2  ARG  40           HB2      ARG  40  -0.266   4.079   2.194
  318    HB3  ARG  40           HB1      ARG  40  -1.053   5.548   2.738
  319    HG2  ARG  40           HG2      ARG  40  -0.615   4.722  -0.127
  320    HG3  ARG  40           HG1      ARG  40  -2.143   4.650   0.756
  321    HD2  ARG  40           HD2      ARG  40  -2.101   7.073   1.033
  322    HD3  ARG  40           HD1      ARG  40  -0.559   7.151   0.189
  323    HE   ARG  40           HE       ARG  40  -2.650   5.915  -1.309
  324   HH11  ARG  40          HH11      ARG  40  -1.088   8.986  -0.452
  325   HH12  ARG  40          HH12      ARG  40  -1.631   9.825  -1.820
  326   HH21  ARG  40          HH21      ARG  40  -3.392   7.045  -3.197
  327   HH22  ARG  40          HH22      ARG  40  -3.005   8.686  -3.440
  328    H    GLU  41           H        GLU  41   2.638   4.240   2.832
  329    HA   GLU  41           HA       GLU  41   2.348   4.881   5.606
  330    HB2  GLU  41           HB2      GLU  41   4.578   3.358   4.267
  331    HB3  GLU  41           HB1      GLU  41   4.160   3.332   5.970
  332    HG2  GLU  41           HG2      GLU  41   2.013   2.285   5.399
  333    HG3  GLU  41           HG1      GLU  41   2.503   2.264   3.705
  334    H    GLN  42           H        GLN  42   4.715   5.558   3.095
  335    HA   GLN  42           HA       GLN  42   6.201   7.275   4.948
  336    HB2  GLN  42           HB2      GLN  42   6.942   6.242   2.207
  337    HB3  GLN  42           HB1      GLN  42   7.981   7.189   3.261
  338    HG2  GLN  42           HG2      GLN  42   8.005   5.399   4.895
  339    HG3  GLN  42           HG1      GLN  42   6.894   4.457   3.904
  340   HE21  GLN  42          1HE2      GLN  42  10.166   5.604   4.236
  341   HE22  GLN  42          2HE2      GLN  42  10.823   4.542   3.039
  342    H    GLY  43           H        GLY  43   3.622   7.795   3.374
  343    HA2  GLY  43           HA2      GLY  43   4.418  10.422   2.389
  344    HA3  GLY  43           HA1      GLY  43   3.555   9.357   1.287
  345    H    ARG  44           H        ARG  44   1.787  10.684   1.152
  346    HA   ARG  44           HA       ARG  44   0.369  11.444   3.546
  347    HB2  ARG  44           HB2      ARG  44  -0.351  11.809   0.635
  348    HB3  ARG  44           HB1      ARG  44  -1.249  12.476   1.989
  349    HG2  ARG  44           HG2      ARG  44   0.664  13.804   2.642
  350    HG3  ARG  44           HG1      ARG  44   1.613  13.111   1.331
  351    HD2  ARG  44           HD2      ARG  44   0.104  14.072  -0.297
  352    HD3  ARG  44           HD1      ARG  44  -0.904  14.730   0.992
  353    HE   ARG  44           HE       ARG  44   1.665  15.635   1.413
  354   HH11  ARG  44          HH11      ARG  44  -0.813  16.050  -1.084
  355   HH12  ARG  44          HH12      ARG  44  -0.294  17.631  -1.485
  356   HH21  ARG  44          HH21      ARG  44   2.334  17.756   0.848
  357   HH22  ARG  44          HH22      ARG  44   1.507  18.616  -0.393
  358    H    GLY  45           H        GLY  45  -0.376   9.738   4.509
  359    HA2  GLY  45           HA2      GLY  45  -1.494   7.495   3.187
  360    HA3  GLY  45           HA1      GLY  45  -1.503   7.795   4.919
  361    H    GLU  46           H        GLU  46  -2.854  10.173   5.022
  362    HA   GLU  46           HA       GLU  46  -4.891  11.010   5.306
  363    HB2  GLU  46           HB2      GLU  46  -5.374   9.838   2.597
  364    HB3  GLU  46           HB1      GLU  46  -6.456  10.973   3.393
  365    HG2  GLU  46           HG2      GLU  46  -4.574  12.603   3.455
  366    HG3  GLU  46           HG1      GLU  46  -3.631  11.466   2.493
  367    H    ASP  47           H        ASP  47  -5.795   8.176   3.639
  368    HA   ASP  47           HA       ASP  47  -8.054   7.572   5.282
  369    HB2  ASP  47           HB2      ASP  47  -6.464   5.808   3.416
  370    HB3  ASP  47           HB1      ASP  47  -8.000   5.352   4.137
  371    H    VAL  48           H        VAL  48  -4.737   6.574   5.154
  372    HA   VAL  48           HA       VAL  48  -5.147   4.945   7.532
  373    HB   VAL  48           HB       VAL  48  -2.976   3.868   7.044
  374   HG11  VAL  48          HG11      VAL  48  -4.989   2.805   6.274
  375   HG12  VAL  48          HG12      VAL  48  -3.718   2.576   5.068
  376   HG13  VAL  48          3HG1      VAL  48  -4.984   3.782   4.811
  377   HG21  VAL  48          HG21      VAL  48  -1.909   4.174   4.845
  378   HG22  VAL  48          HG22      VAL  48  -1.889   5.662   5.792
  379   HG23  VAL  48          HG23      VAL  48  -3.052   5.468   4.481
  380    H    ASP  49           H        ASP  49  -3.752   5.133   9.279
  381    HA   ASP  49           HA       ASP  49  -1.962   7.422   9.386
  382    HB2  ASP  49           HB2      ASP  49  -4.039   8.306  10.297
  383    HB3  ASP  49           HB1      ASP  49  -4.221   6.901  11.340
  Start of MODEL    4
    1    H    PCA   1           H        PGL   1 -13.177   6.696   8.259
    2    HA   PCA   1           HA       PGL   1 -14.502   8.232   6.614
    3    HB2  PCA   1           HB1      PGL   1 -13.391  10.171   6.169
    4    HB3  PCA   1           HB2      PGL   1 -12.026   9.237   5.497
    5    HG2  PCA   1           HG1      PGL   1 -12.153  10.597   8.039
    6    HG3  PCA   1           HG2      PGL   1 -10.814   9.594   7.382
    7    H    ARG   2           H        ARG   2 -13.842   8.219   4.155
    8    HA   ARG   2           HA       ARG   2 -13.184   5.462   3.590
    9    HB2  ARG   2           HB2      ARG   2 -13.837   6.005   1.272
   10    HB3  ARG   2           HB1      ARG   2 -15.077   6.474   2.418
   11    HG2  ARG   2           HG2      ARG   2 -14.173   8.825   2.266
   12    HG3  ARG   2           HG1      ARG   2 -13.158   8.254   0.945
   13    HD2  ARG   2           HD2      ARG   2 -15.211   9.258   0.083
   14    HD3  ARG   2           HD1      ARG   2 -15.132   7.535  -0.291
   15    HE   ARG   2           HE       ARG   2 -16.592   8.364   2.088
   16   HH11  ARG   2          HH11      ARG   2 -16.796   7.311  -1.296
   17   HH12  ARG   2          HH12      ARG   2 -18.358   6.675  -1.158
   18   HH21  ARG   2          HH21      ARG   2 -18.790   7.479   2.270
   19   HH22  ARG   2          HH22      ARG   2 -19.510   6.767   0.910
   20    H    GLY   3           H        GLY   3 -11.698   5.123   1.558
   21    HA2  GLY   3           HA2      GLY   3  -9.637   5.504   0.542
   22    HA3  GLY   3           HA1      GLY   3  -9.542   7.034   1.400
   23    H    SER   4           H        SER   4 -10.199   4.027   2.969
   24    HA   SER   4           HA       SER   4  -8.012   4.444   4.786
   25    HB2  SER   4           HB2      SER   4  -9.927   2.127   4.732
   26    HB3  SER   4           HB1      SER   4  -9.135   2.884   6.117
   27    HG   SER   4           HG       SER   4 -10.409   4.785   5.641
   28    HA   PRO   5           HA       PRO   5  -5.416   1.905   2.039
   29    HB2  PRO   5           HB2      PRO   5  -3.394   1.535   3.914
   30    HB3  PRO   5           HB1      PRO   5  -3.504   2.890   2.789
   31    HG2  PRO   5           HG2      PRO   5  -4.317   2.733   5.657
   32    HG3  PRO   5           HG1      PRO   5  -3.551   4.070   4.782
   33    HD2  PRO   5           HD2      PRO   5  -6.142   4.110   5.377
   34    HD3  PRO   5           HD1      PRO   5  -5.559   4.756   3.830
   35    H    ARG   6           H        ARG   6  -6.026   0.963   5.413
   36    HA   ARG   6           HA       ARG   6  -5.189  -1.718   5.082
   37    HB2  ARG   6           HB2      ARG   6  -6.935  -0.464   7.178
   38    HB3  ARG   6           HB1      ARG   6  -6.478  -2.155   7.191
   39    HG2  ARG   6           HG2      ARG   6  -4.157  -1.565   7.407
   40    HG3  ARG   6           HG1      ARG   6  -4.557   0.153   7.276
   41    HD2  ARG   6           HD2      ARG   6  -5.597  -1.691   9.429
   42    HD3  ARG   6           HD1      ARG   6  -4.222  -0.609   9.622
   43    HE   ARG   6           HE       ARG   6  -5.699   1.233   9.223
   44   HH11  ARG   6          HH11      ARG   6  -7.314  -1.822  10.065
   45   HH12  ARG   6          HH12      ARG   6  -8.683  -1.085  10.747
   46   HH21  ARG   6          HH21      ARG   6  -7.612   2.249  10.215
   47   HH22  ARG   6          HH22      ARG   6  -8.841   1.271  10.859
   48    H    ALA   7           H        ALA   7  -8.215  -0.130   4.497
   49    HA   ALA   7           HA       ALA   7  -9.929  -2.350   4.595
   50    HB1  ALA   7           HB1      ALA   7 -10.144   0.116   2.880
   51    HB2  ALA   7           HB2      ALA   7 -10.765  -0.056   4.524
   52    HB3  ALA   7           HB3      ALA   7 -11.447  -1.021   3.211
   53    H    GLU   8           H        GLU   8  -8.473  -0.795   1.737
   54    HA   GLU   8           HA       GLU   8  -9.120  -2.877  -0.030
   55    HB2  GLU   8           HB2      GLU   8  -7.128  -0.641  -0.150
   56    HB3  GLU   8           HB1      GLU   8  -7.241  -1.826  -1.433
   57    HG2  GLU   8           HG2      GLU   8  -8.455   0.144  -2.049
   58    HG3  GLU   8           HG1      GLU   8  -9.584  -1.180  -1.787
   59    H    TYR   9           H        TYR   9  -6.366  -2.278   2.018
   60    HA   TYR   9           HA       TYR   9  -4.507  -4.113   1.060
   61    HB2  TYR   9           HB2      TYR   9  -4.078  -2.450   2.822
   62    HB3  TYR   9           HB1      TYR   9  -5.129  -3.348   3.901
   63    HD1  TYR   9           HD1      TYR   9  -1.873  -3.268   2.281
   64    HD2  TYR   9           HD2      TYR   9  -4.358  -5.366   4.995
   65    HE1  TYR   9           HE1      TYR   9   0.070  -4.457   3.091
   66    HE2  TYR   9           HE2      TYR   9  -2.453  -6.603   5.828
   67    HH   TYR   9           HH       TYR   9   0.762  -5.649   5.151
   68    H    GLU  10           H        GLU  10  -7.006  -4.554   3.544
   69    HA   GLU  10           HA       GLU  10  -6.443  -7.286   3.868
   70    HB2  GLU  10           HB2      GLU  10  -8.862  -5.690   4.679
   71    HB3  GLU  10           HB1      GLU  10  -8.566  -7.371   5.143
   72    HG2  GLU  10           HG2      GLU  10  -6.540  -6.644   6.318
   73    HG3  GLU  10           HG1      GLU  10  -6.907  -4.974   5.880
   74    H    VAL  11           H        VAL  11  -8.687  -5.580   1.739
   75    HA   VAL  11           HA       VAL  11 -10.100  -7.895   0.857
   76    HB   VAL  11           HB       VAL  11  -9.537  -5.346  -0.722
   77   HG11  VAL  11          HG11      VAL  11 -11.480  -5.978  -2.095
   78   HG12  VAL  11          HG12      VAL  11 -11.603  -7.496  -1.206
   79   HG13  VAL  11          3HG1      VAL  11 -10.184  -7.171  -2.201
   80   HG21  VAL  11          HG21      VAL  11 -10.761  -4.857   1.306
   81   HG22  VAL  11          HG22      VAL  11 -11.931  -6.123   0.934
   82   HG23  VAL  11          HG23      VAL  11 -11.825  -4.691  -0.091
   83    H    CYS  12           H        CYS  12  -7.227  -6.242  -0.258
   84    HA   CYS  12           HA       CYS  12  -6.594  -7.755  -2.484
   85    HB2  CYS  12           HB2      CYS  12  -5.500  -5.619  -1.837
   86    HB3  CYS  12           HB1      CYS  12  -4.711  -6.443  -0.504
   87    H    ARG  13           H        ARG  13  -5.748  -8.311   0.922
   88    HA   ARG  13           HA       ARG  13  -4.259 -10.688   0.452
   89    HB2  ARG  13           HB2      ARG  13  -5.781  -9.994   2.964
   90    HB3  ARG  13           HB1      ARG  13  -4.496 -11.175   2.821
   91    HG2  ARG  13           HG2      ARG  13  -2.977  -9.266   2.215
   92    HG3  ARG  13           HG1      ARG  13  -4.295  -8.186   2.675
   93    HD2  ARG  13           HD2      ARG  13  -2.898 -10.203   4.443
   94    HD3  ARG  13           HD1      ARG  13  -2.813  -8.451   4.554
   95    HE   ARG  13           HE       ARG  13  -5.473  -9.127   4.838
   96   HH11  ARG  13          HH11      ARG  13  -2.506 -10.156   6.505
   97   HH12  ARG  13          HH12      ARG  13  -3.205 -10.100   8.048
   98   HH21  ARG  13          HH21      ARG  13  -6.451  -9.178   6.981
   99   HH22  ARG  13          HH22      ARG  13  -5.481  -9.553   8.322
  100    H    LEU  14           H        LEU  14  -7.620 -10.061   1.308
  101    HA   LEU  14           HA       LEU  14  -8.571 -12.613   1.764
  102    HB2  LEU  14           HB2      LEU  14  -9.832 -10.564   2.194
  103    HB3  LEU  14           HB1      LEU  14  -9.990 -10.288   0.475
  104    HG   LEU  14           HG       LEU  14 -11.360 -12.348   0.303
  105   HD11  LEU  14          HD11      LEU  14 -11.195 -12.336   3.310
  106   HD12  LEU  14          HD12      LEU  14 -10.496 -13.541   2.230
  107   HD13  LEU  14          HD13      LEU  14 -12.247 -13.364   2.336
  108   HD21  LEU  14          HD21      LEU  14 -12.341 -10.287   2.271
  109   HD22  LEU  14          HD22      LEU  14 -13.354 -11.405   1.358
  110   HD23  LEU  14          HD23      LEU  14 -12.419 -10.170   0.512
  111    H    ARG  15           H        ARG  15  -8.312 -10.902  -1.307
  112    HA   ARG  15           HA       ARG  15  -9.522 -12.790  -2.988
  113    HB2  ARG  15           HB2      ARG  15  -7.158 -11.034  -3.666
  114    HB3  ARG  15           HB1      ARG  15  -8.234 -11.810  -4.816
  115    HG2  ARG  15           HG2      ARG  15 -10.097 -10.454  -3.931
  116    HG3  ARG  15           HG1      ARG  15  -8.952  -9.638  -2.866
  117    HD2  ARG  15           HD2      ARG  15  -8.906  -9.661  -5.878
  118    HD3  ARG  15           HD1      ARG  15  -9.341  -8.307  -4.835
  119    HE   ARG  15           HE       ARG  15  -6.866  -8.872  -4.016
  120   HH11  ARG  15          HH11      ARG  15  -8.191  -8.348  -7.260
  121   HH12  ARG  15          HH12      ARG  15  -6.758  -7.699  -7.903
  122   HH21  ARG  15          HH21      ARG  15  -4.851  -7.924  -4.935
  123   HH22  ARG  15          HH22      ARG  15  -4.855  -7.454  -6.567
  124    H    CYS  16           H        CYS  16  -6.134 -12.488  -2.006
  125    HA   CYS  16           HA       CYS  16  -5.293 -14.789  -3.415
  126    HB2  CYS  16           HB2      CYS  16  -4.008 -13.154  -1.261
  127    HB3  CYS  16           HB1      CYS  16  -3.269 -14.624  -1.877
  128    H    GLN  17           H        GLN  17  -6.497 -14.275  -0.165
  129    HA   GLN  17           HA       GLN  17  -5.554 -16.707   0.870
  130    HB2  GLN  17           HB2      GLN  17  -7.851 -14.988   1.764
  131    HB3  GLN  17           HB1      GLN  17  -7.281 -16.396   2.653
  132    HG2  GLN  17           HG2      GLN  17  -5.076 -15.376   2.860
  133    HG3  GLN  17           HG1      GLN  17  -5.651 -13.965   1.978
  134   HE21  GLN  17          1HE2      GLN  17  -7.022 -12.553   2.979
  135   HE22  GLN  17          2HE2      GLN  17  -7.254 -12.520   4.680
  136    H    VAL  18           H        VAL  18  -8.408 -16.010  -0.964
  137    HA   VAL  18           HA       VAL  18  -9.305 -18.720  -0.510
  138    HB   VAL  18           HB       VAL  18 -10.991 -16.952  -0.498
  139   HG11  VAL  18          HG11      VAL  18 -10.020 -15.441  -2.040
  140   HG12  VAL  18          HG12      VAL  18 -11.667 -15.844  -2.564
  141   HG13  VAL  18          3HG1      VAL  18 -10.263 -16.584  -3.358
  142   HG21  VAL  18          HG21      VAL  18 -12.637 -17.983  -2.013
  143   HG22  VAL  18          HG22      VAL  18 -11.729 -19.178  -1.087
  144   HG23  VAL  18          HG23      VAL  18 -11.335 -18.891  -2.781
  145    H    ALA  19           H        ALA  19  -7.629 -16.929  -2.967
  146    HA   ALA  19           HA       ALA  19  -7.999 -18.988  -4.976
  147    HB1  ALA  19           HB1      ALA  19  -7.827 -16.633  -5.648
  148    HB2  ALA  19           HB2      ALA  19  -6.552 -17.607  -6.380
  149    HB3  ALA  19           HB3      ALA  19  -6.189 -16.572  -5.001
  150    H    GLU  20           H        GLU  20  -5.364 -17.776  -2.988
  151    HA   GLU  20           HA       GLU  20  -3.592 -19.969  -3.771
  152    HB2  GLU  20           HB2      GLU  20  -3.068 -17.580  -1.988
  153    HB3  GLU  20           HB1      GLU  20  -1.881 -18.678  -2.662
  154    HG2  GLU  20           HG2      GLU  20  -3.559 -16.738  -4.237
  155    HG3  GLU  20           HG1      GLU  20  -1.887 -16.481  -3.747
  156    H    ARG  21           H        ARG  21  -3.669 -21.699  -2.372
  157    HA   ARG  21           HA       ARG  21  -4.450 -21.066   0.369
  158    HB2  ARG  21           HB2      ARG  21  -4.555 -23.703  -1.085
  159    HB3  ARG  21           HB1      ARG  21  -4.878 -23.521   0.635
  160    HG2  ARG  21           HG2      ARG  21  -6.737 -22.038   0.123
  161    HG3  ARG  21           HG1      ARG  21  -6.420 -22.227  -1.598
  162    HD2  ARG  21           HD2      ARG  21  -8.208 -23.708  -0.972
  163    HD3  ARG  21           HD1      ARG  21  -6.772 -24.659  -1.335
  164    HE   ARG  21           HE       ARG  21  -6.797 -24.144   1.397
  165   HH11  ARG  21          HH11      ARG  21  -8.613 -26.015  -1.014
  166   HH12  ARG  21          HH12      ARG  21  -9.177 -27.167   0.105
  167   HH21  ARG  21          HH21      ARG  21  -7.618 -25.770   2.950
  168   HH22  ARG  21          HH22      ARG  21  -8.624 -27.013   2.353
  169    H    GLY  22           H        GLY  22  -1.888 -21.316  -1.348
  170    HA2  GLY  22           HA2      GLY  22  -0.186 -22.857   0.378
  171    HA3  GLY  22           HA1      GLY  22   0.342 -21.793  -0.927
  172    H    VAL  23           H        VAL  23   1.127 -22.122   1.928
  173    HA   VAL  23           HA       VAL  23   0.240 -19.880   3.390
  174    HB   VAL  23           HB       VAL  23   2.737 -21.543   3.773
  175   HG11  VAL  23          HG11      VAL  23   2.822 -20.647   6.051
  176   HG12  VAL  23          HG12      VAL  23   1.434 -19.623   5.709
  177   HG13  VAL  23          3HG1      VAL  23   2.958 -19.344   4.869
  178   HG21  VAL  23          HG21      VAL  23   0.041 -21.670   5.117
  179   HG22  VAL  23          HG22      VAL  23   1.441 -22.660   5.528
  180   HG23  VAL  23          HG23      VAL  23   0.676 -22.825   3.948
  181    H    GLU  24           H        GLU  24   3.333 -20.457   1.703
  182    HA   GLU  24           HA       GLU  24   4.305 -17.851   2.123
  183    HB2  GLU  24           HB2      GLU  24   5.945 -18.323   0.382
  184    HB3  GLU  24           HB1      GLU  24   5.792 -19.682   1.490
  185    HG2  GLU  24           HG2      GLU  24   4.519 -20.912  -0.119
  186    HG3  GLU  24           HG1      GLU  24   4.450 -19.519  -1.196
  187    H    GLN  25           H        GLN  25   2.218 -19.204  -0.215
  188    HA   GLN  25           HA       GLN  25   2.381 -17.226  -2.227
  189    HB2  GLN  25           HB2      GLN  25   0.041 -19.018  -1.558
  190    HB3  GLN  25           HB1      GLN  25   0.310 -18.192  -3.091
  191    HG2  GLN  25           HG2      GLN  25   2.299 -19.523  -3.490
  192    HG3  GLN  25           HG1      GLN  25   2.122 -20.291  -1.921
  193   HE21  GLN  25          1HE2      GLN  25  -0.491 -19.602  -4.239
  194   HE22  GLN  25          2HE2      GLN  25  -0.876 -21.264  -4.460
  195    H    GLN  26           H        GLN  26   0.056 -17.704   0.431
  196    HA   GLN  26           HA       GLN  26  -1.262 -15.231   0.023
  197    HB2  GLN  26           HB2      GLN  26  -1.080 -17.029   2.432
  198    HB3  GLN  26           HB1      GLN  26  -2.005 -15.536   2.440
  199    HG2  GLN  26           HG2      GLN  26  -3.404 -16.373   0.642
  200    HG3  GLN  26           HG1      GLN  26  -2.455 -17.856   0.579
  201   HE21  GLN  26          1HE2      GLN  26  -4.300 -19.041   1.006
  202   HE22  GLN  26          2HE2      GLN  26  -4.973 -19.177   2.591
  203    H    ARG  27           H        ARG  27   1.455 -16.177   2.020
  204    HA   ARG  27           HA       ARG  27   1.868 -13.840   3.458
  205    HB2  ARG  27           HB2      ARG  27   3.759 -15.917   2.423
  206    HB3  ARG  27           HB1      ARG  27   4.340 -14.545   3.349
  207    HG2  ARG  27           HG2      ARG  27   2.161 -16.283   4.424
  208    HG3  ARG  27           HG1      ARG  27   3.848 -16.772   4.567
  209    HD2  ARG  27           HD2      ARG  27   2.707 -14.151   5.541
  210    HD3  ARG  27           HD1      ARG  27   3.033 -15.557   6.552
  211    HE   ARG  27           HE       ARG  27   5.381 -15.167   5.329
  212   HH11  ARG  27          HH11      ARG  27   3.349 -12.966   7.226
  213   HH12  ARG  27          HH12      ARG  27   4.663 -12.022   7.778
  214   HH21  ARG  27          HH21      ARG  27   7.167 -13.840   6.082
  215   HH22  ARG  27          HH22      ARG  27   6.853 -12.536   7.124
  216    H    LYS  28           H        LYS  28   3.329 -14.723   0.318
  217    HA   LYS  28           HA       LYS  28   4.591 -12.242  -0.029
  218    HB2  LYS  28           HB2      LYS  28   3.774 -14.275  -2.083
  219    HB3  LYS  28           HB1      LYS  28   4.753 -12.859  -2.442
  220    HG2  LYS  28           HG2      LYS  28   6.432 -13.697  -0.794
  221    HG3  LYS  28           HG1      LYS  28   5.476 -15.173  -0.657
  222    HD2  LYS  28           HD2      LYS  28   6.697 -14.103  -3.206
  223    HD3  LYS  28           HD1      LYS  28   7.342 -15.424  -2.235
  224    HE2  LYS  28           HE2      LYS  28   5.361 -16.748  -2.671
  225    HE3  LYS  28           HE1      LYS  28   4.627 -15.409  -3.550
  226    HZ1  LYS  28           HZ1      LYS  28   6.400 -15.571  -5.187
  227    HZ2  LYS  28           HZ2      LYS  28   5.553 -17.010  -5.056
  228    HZ3  LYS  28           HZ3      LYS  28   7.078 -16.885  -4.370
  229    H    CYS  29           H        CYS  29   1.369 -13.343  -0.944
  230    HA   CYS  29           HA       CYS  29   0.643 -11.130  -2.466
  231    HB2  CYS  29           HB2      CYS  29  -0.920 -13.053  -0.808
  232    HB3  CYS  29           HB1      CYS  29  -1.733 -11.627  -1.420
  233    H    GLU  30           H        GLU  30   0.402 -11.595   1.050
  234    HA   GLU  30           HA       GLU  30  -0.814  -9.145   1.683
  235    HB2  GLU  30           HB2      GLU  30   1.271 -10.543   3.338
  236    HB3  GLU  30           HB1      GLU  30   0.042  -9.435   3.919
  237    HG2  GLU  30           HG2      GLU  30  -1.681 -11.100   3.229
  238    HG3  GLU  30           HG1      GLU  30  -0.373 -12.191   2.813
  239    H    GLN  31           H        GLN  31   2.525 -10.038   1.215
  240    HA   GLN  31           HA       GLN  31   3.699  -7.597   1.985
  241    HB2  GLN  31           HB2      GLN  31   4.709  -9.746   0.142
  242    HB3  GLN  31           HB1      GLN  31   5.664  -8.411   0.772
  243    HG2  GLN  31           HG2      GLN  31   5.427  -9.227   3.008
  244    HG3  GLN  31           HG1      GLN  31   4.326 -10.493   2.466
  245   HE21  GLN  31          1HE2      GLN  31   7.110  -9.572   0.596
  246   HE22  GLN  31          2HE2      GLN  31   8.018 -11.010   0.896
  247    H    VAL  32           H        VAL  32   2.758  -8.890  -1.205
  248    HA   VAL  32           HA       VAL  32   3.634  -6.613  -2.638
  249    HB   VAL  32           HB       VAL  32   1.551  -8.681  -3.457
  250   HG11  VAL  32          HG11      VAL  32   2.012  -7.961  -5.763
  251   HG12  VAL  32          HG12      VAL  32   3.068  -6.689  -5.149
  252   HG13  VAL  32          3HG1      VAL  32   1.342  -6.651  -4.793
  253   HG21  VAL  32          HG21      VAL  32   4.488  -8.476  -4.065
  254   HG22  VAL  32          HG22      VAL  32   3.375  -9.652  -4.757
  255   HG23  VAL  32          HG23      VAL  32   3.710  -9.670  -3.023
  256    H    CYS  33           H        CYS  33   0.584  -7.439  -1.127
  257    HA   CYS  33           HA       CYS  33  -0.847  -5.175  -2.059
  258    HB2  CYS  33           HB2      CYS  33  -1.246  -6.698   0.535
  259    HB3  CYS  33           HB1      CYS  33  -2.418  -5.624  -0.218
  260    H    GLU  34           H        GLU  34   1.393  -5.699   0.546
  261    HA   GLU  34           HA       GLU  34   1.033  -3.191   1.848
  262    HB2  GLU  34           HB2      GLU  34   1.953  -5.215   2.940
  263    HB3  GLU  34           HB1      GLU  34   3.323  -5.144   1.859
  264    HG2  GLU  34           HG2      GLU  34   4.112  -3.153   2.863
  265    HG3  GLU  34           HG1      GLU  34   2.639  -2.989   3.825
  266    H    GLU  35           H        GLU  35   3.120  -4.443  -0.665
  267    HA   GLU  35           HA       GLU  35   4.663  -2.098  -1.017
  268    HB2  GLU  35           HB2      GLU  35   3.963  -4.255  -3.032
  269    HB3  GLU  35           HB1      GLU  35   5.187  -3.019  -3.274
  270    HG2  GLU  35           HG2      GLU  35   6.435  -3.908  -1.352
  271    HG3  GLU  35           HG1      GLU  35   5.223  -5.170  -1.170
  272    H    ARG  36           H        ARG  36   1.551  -3.145  -2.135
  273    HA   ARG  36           HA       ARG  36   1.110  -1.022  -3.976
  274    HB2  ARG  36           HB2      ARG  36  -0.209  -3.273  -3.732
  275    HB3  ARG  36           HB1      ARG  36  -1.116  -2.414  -2.500
  276    HG2  ARG  36           HG2      ARG  36  -1.726  -0.699  -4.141
  277    HG3  ARG  36           HG1      ARG  36  -0.849  -1.593  -5.381
  278    HD2  ARG  36           HD2      ARG  36  -3.124  -2.175  -5.651
  279    HD3  ARG  36           HD1      ARG  36  -2.367  -3.549  -4.846
  280    HE   ARG  36           HE       ARG  36  -3.457  -1.724  -2.983
  281   HH11  ARG  36          HH11      ARG  36  -4.395  -4.360  -5.167
  282   HH12  ARG  36          HH12      ARG  36  -5.898  -4.631  -4.429
  283   HH21  ARG  36          HH21      ARG  36  -5.492  -2.091  -1.992
  284   HH22  ARG  36          HH22      ARG  36  -6.554  -3.312  -2.553
  285    H    LEU  37           H        LEU  37   0.901  -1.367  -0.557
  286    HA   LEU  37           HA       LEU  37  -0.466   1.143  -0.244
  287    HB2  LEU  37           HB2      LEU  37   0.797  -0.676   1.740
  288    HB3  LEU  37           HB1      LEU  37   0.115   0.851   2.207
  289    HG   LEU  37           HG       LEU  37  -1.234  -1.626   1.286
  290   HD11  LEU  37          HD11      LEU  37  -2.551  -1.114   3.298
  291   HD12  LEU  37          HD12      LEU  37  -1.559   0.354   3.465
  292   HD13  LEU  37          HD13      LEU  37  -0.801  -1.236   3.599
  293   HD21  LEU  37          HD21      LEU  37  -2.452   1.147   1.260
  294   HD22  LEU  37          HD22      LEU  37  -3.351  -0.362   1.132
  295   HD23  LEU  37          HD23      LEU  37  -2.221   0.091  -0.140
  296    H    ARG  38           H        ARG  38   2.825   0.022  -0.174
  297    HA   ARG  38           HA       ARG  38   4.085   2.306   0.820
  298    HB2  ARG  38           HB2      ARG  38   5.330   0.249   0.223
  299    HB3  ARG  38           HB1      ARG  38   5.004   0.548  -1.477
  300    HG2  ARG  38           HG2      ARG  38   6.273   2.665  -1.316
  301    HG3  ARG  38           HG1      ARG  38   6.670   2.265   0.352
  302    HD2  ARG  38           HD2      ARG  38   7.836   0.265  -0.388
  303    HD3  ARG  38           HD1      ARG  38   7.399   0.605  -2.063
  304    HE   ARG  38           HE       ARG  38   8.895   2.619  -0.588
  305   HH11  ARG  38          HH11      ARG  38   8.895   0.178  -3.173
  306   HH12  ARG  38          HH12      ARG  38  10.394   0.649  -3.801
  307   HH21  ARG  38          HH21      ARG  38  10.949   3.312  -1.536
  308   HH22  ARG  38          HH22      ARG  38  11.555   2.475  -2.885
  309    H    GLU  39           H        GLU  39   3.232   1.489  -2.512
  310    HA   GLU  39           HA       GLU  39   3.815   4.039  -3.555
  311    HB2  GLU  39           HB2      GLU  39   2.562   3.284  -5.541
  312    HB3  GLU  39           HB1      GLU  39   3.771   2.121  -5.014
  313    HG2  GLU  39           HG2      GLU  39   2.121   0.753  -4.026
  314    HG3  GLU  39           HG1      GLU  39   0.873   1.964  -4.295
  315    H    ARG  40           H        ARG  40   1.013   2.810  -1.809
  316    HA   ARG  40           HA       ARG  40  -0.888   4.585  -2.945
  317    HB2  ARG  40           HB2      ARG  40  -1.283   2.409  -1.628
  318    HB3  ARG  40           HB1      ARG  40  -1.016   3.373  -0.182
  319    HG2  ARG  40           HG2      ARG  40  -3.368   3.179  -0.524
  320    HG3  ARG  40           HG1      ARG  40  -2.905   4.835  -0.943
  321    HD2  ARG  40           HD2      ARG  40  -2.856   4.243  -3.305
  322    HD3  ARG  40           HD1      ARG  40  -3.227   2.578  -2.895
  323    HE   ARG  40           HE       ARG  40  -5.281   4.081  -1.866
  324   HH11  ARG  40          HH11      ARG  40  -3.827   3.758  -5.063
  325   HH12  ARG  40          HH12      ARG  40  -5.300   3.755  -5.913
  326   HH21  ARG  40          HH21      ARG  40  -7.333   4.134  -3.042
  327   HH22  ARG  40          HH22      ARG  40  -7.353   3.983  -4.738
  328    H    GLU  41           H        GLU  41   1.238   4.605  -0.153
  329    HA   GLU  41           HA       GLU  41   0.293   7.170   0.782
  330    HB2  GLU  41           HB2      GLU  41   2.674   5.541   1.658
  331    HB3  GLU  41           HB1      GLU  41   1.998   6.926   2.504
  332    HG2  GLU  41           HG2      GLU  41  -0.079   5.679   2.860
  333    HG3  GLU  41           HG1      GLU  41   0.629   4.289   2.038
  334    H    GLN  42           H        GLN  42   2.733   5.967  -1.305
  335    HA   GLN  42           HA       GLN  42   4.350   8.372  -1.174
  336    HB2  GLN  42           HB2      GLN  42   5.279   6.044  -1.484
  337    HB3  GLN  42           HB1      GLN  42   4.562   6.043  -3.083
  338    HG2  GLN  42           HG2      GLN  42   5.990   7.876  -3.756
  339    HG3  GLN  42           HG1      GLN  42   6.673   7.967  -2.132
  340   HE21  GLN  42          1HE2      GLN  42   8.033   7.472  -4.622
  341   HE22  GLN  42          2HE2      GLN  42   8.797   5.926  -4.466
  342    H    GLY  43           H        GLY  43   1.663   7.222  -2.882
  343    HA2  GLY  43           HA2      GLY  43   0.301   8.194  -4.439
  344    HA3  GLY  43           HA1      GLY  43   1.212   9.677  -4.180
  345    H    ARG  44           H        ARG  44   1.596   6.510  -5.725
  346    HA   ARG  44           HA       ARG  44   3.411   7.686  -7.620
  347    HB2  ARG  44           HB2      ARG  44   2.329   4.876  -7.470
  348    HB3  ARG  44           HB1      ARG  44   3.598   5.427  -8.549
  349    HG2  ARG  44           HG2      ARG  44   3.745   5.425  -5.540
  350    HG3  ARG  44           HG1      ARG  44   4.474   4.224  -6.602
  351    HD2  ARG  44           HD2      ARG  44   6.158   5.772  -5.914
  352    HD3  ARG  44           HD1      ARG  44   5.803   6.033  -7.631
  353    HE   ARG  44           HE       ARG  44   4.355   7.762  -5.855
  354   HH11  ARG  44          HH11      ARG  44   7.415   7.394  -7.571
  355   HH12  ARG  44          HH12      ARG  44   7.718   9.060  -7.677
  356   HH21  ARG  44          HH21      ARG  44   4.753  10.050  -6.019
  357   HH22  ARG  44          HH22      ARG  44   6.173  10.597  -6.765
  358    H    GLY  45           H        GLY  45   0.083   6.740  -7.493
  359    HA2  GLY  45           HA2      GLY  45  -0.166   7.858 -10.195
  360    HA3  GLY  45           HA1      GLY  45  -1.067   6.425  -9.701
  361    H    GLU  46           H        GLU  46  -3.074   7.315  -9.887
  362    HA   GLU  46           HA       GLU  46  -3.671   9.646  -8.274
  363    HB2  GLU  46           HB2      GLU  46  -5.459   7.917  -9.999
  364    HB3  GLU  46           HB1      GLU  46  -5.951   9.402  -9.196
  365    HG2  GLU  46           HG2      GLU  46  -4.397  10.677 -10.546
  366    HG3  GLU  46           HG1      GLU  46  -3.825   9.192 -11.306
  367    H    ASP  47           H        ASP  47  -2.915   8.444  -6.456
  368    HA   ASP  47           HA       ASP  47  -4.483   6.215  -5.565
  369    HB2  ASP  47           HB2      ASP  47  -2.094   7.610  -4.350
  370    HB3  ASP  47           HB1      ASP  47  -2.911   6.261  -3.575
  371    H    VAL  48           H        VAL  48  -3.817   9.488  -4.382
  372    HA   VAL  48           HA       VAL  48  -6.228   9.172  -2.735
  373    HB   VAL  48           HB       VAL  48  -5.532  11.238  -1.535
  374   HG11  VAL  48          HG11      VAL  48  -3.510   9.010  -1.586
  375   HG12  VAL  48          HG12      VAL  48  -4.972   9.085  -0.601
  376   HG13  VAL  48          3HG1      VAL  48  -3.655  10.220  -0.314
  377   HG21  VAL  48          HG21      VAL  48  -3.030  10.964  -3.181
  378   HG22  VAL  48          HG22      VAL  48  -3.233  12.064  -1.819
  379   HG23  VAL  48          HG23      VAL  48  -4.199  12.279  -3.283
  380    H    ASP  49           H        ASP  49  -5.285  10.410  -5.610
  381    HA   ASP  49           HA       ASP  49  -6.957  12.759  -5.618
  382    HB2  ASP  49           HB2      ASP  49  -5.454  11.390  -7.860
  383    HB3  ASP  49           HB1      ASP  49  -6.415  12.846  -8.066
  Start of MODEL    5
    1    H    PCA   1           H        PGL   1 -14.974   1.976   6.327
    2    HA   PCA   1           HA       PGL   1 -13.043   3.272   5.407
    3    HB2  PCA   1           HB1      PGL   1 -11.066   2.705   6.385
    4    HB3  PCA   1           HB2      PGL   1 -11.106   1.151   5.505
    5    HG2  PCA   1           HG1      PGL   1 -11.713   1.676   8.327
    6    HG3  PCA   1           HG2      PGL   1 -11.551   0.102   7.475
    7    H    ARG   2           H        ARG   2 -13.690   3.266   3.407
    8    HA   ARG   2           HA       ARG   2 -13.424   0.780   1.837
    9    HB2  ARG   2           HB2      ARG   2 -15.760   1.439   1.967
   10    HB3  ARG   2           HB1      ARG   2 -15.366   3.071   1.464
   11    HG2  ARG   2           HG2      ARG   2 -16.392   1.848  -0.354
   12    HG3  ARG   2           HG1      ARG   2 -14.722   2.233  -0.751
   13    HD2  ARG   2           HD2      ARG   2 -14.069  -0.069  -0.151
   14    HD3  ARG   2           HD1      ARG   2 -15.753  -0.438   0.224
   15    HE   ARG   2           HE       ARG   2 -15.520   0.599  -2.391
   16   HH11  ARG   2          HH11      ARG   2 -14.902  -2.420  -0.628
   17   HH12  ARG   2          HH12      ARG   2 -15.147  -3.401  -1.999
   18   HH21  ARG   2          HH21      ARG   2 -15.824  -0.739  -4.210
   19   HH22  ARG   2          HH22      ARG   2 -15.672  -2.448  -4.078
   20    H    GLY   3           H        GLY   3 -13.124   4.311   1.732
   21    HA2  GLY   3           HA2      GLY   3 -11.750   4.298  -0.787
   22    HA3  GLY   3           HA1      GLY   3 -11.943   5.679   0.287
   23    H    SER   4           H        SER   4 -10.919   4.018   2.490
   24    HA   SER   4           HA       SER   4  -8.248   4.787   2.512
   25    HB2  SER   4           HB2      SER   4  -9.555   2.583   4.104
   26    HB3  SER   4           HB1      SER   4  -8.182   3.591   4.575
   27    HG   SER   4           HG       SER   4  -9.458   5.228   4.975
   28    HA   PRO   5           HA       PRO   5  -6.660   1.597  -0.220
   29    HB2  PRO   5           HB2      PRO   5  -4.020   1.774   0.538
   30    HB3  PRO   5           HB1      PRO   5  -4.809   2.846  -0.622
   31    HG2  PRO   5           HG2      PRO   5  -4.252   3.279   2.280
   32    HG3  PRO   5           HG1      PRO   5  -4.098   4.417   0.931
   33    HD2  PRO   5           HD2      PRO   5  -6.189   4.487   2.604
   34    HD3  PRO   5           HD1      PRO   5  -6.378   4.848   0.873
   35    H    ARG   6           H        ARG   6  -6.150   1.535   3.234
   36    HA   ARG   6           HA       ARG   6  -5.021  -1.063   3.320
   37    HB2  ARG   6           HB2      ARG   6  -4.761   0.512   5.191
   38    HB3  ARG   6           HB1      ARG   6  -6.488   0.426   5.500
   39    HG2  ARG   6           HG2      ARG   6  -6.311  -1.848   6.229
   40    HG3  ARG   6           HG1      ARG   6  -4.628  -1.937   5.703
   41    HD2  ARG   6           HD2      ARG   6  -5.677  -0.099   7.857
   42    HD3  ARG   6           HD1      ARG   6  -4.845  -1.626   8.152
   43    HE   ARG   6           HE       ARG   6  -3.035  -0.450   6.694
   44   HH11  ARG   6          HH11      ARG   6  -4.928   0.962   9.321
   45   HH12  ARG   6          HH12      ARG   6  -3.789   2.149   9.727
   46   HH21  ARG   6          HH21      ARG   6  -1.439   1.180   7.231
   47   HH22  ARG   6          HH22      ARG   6  -1.708   2.276   8.474
   48    H    ALA   7           H        ALA   7  -8.241   0.041   2.860
   49    HA   ALA   7           HA       ALA   7  -9.645  -2.253   3.730
   50    HB1  ALA   7           HB1      ALA   7 -10.295  -0.325   1.494
   51    HB2  ALA   7           HB2      ALA   7 -10.796  -0.159   3.178
   52    HB3  ALA   7           HB3      ALA   7 -11.418  -1.487   2.196
   53    H    GLU   8           H        GLU   8  -8.276  -1.260   0.670
   54    HA   GLU   8           HA       GLU   8  -8.874  -3.538  -0.856
   55    HB2  GLU   8           HB2      GLU   8  -6.550  -1.637  -1.102
   56    HB3  GLU   8           HB1      GLU   8  -7.126  -2.728  -2.351
   57    HG2  GLU   8           HG2      GLU   8  -9.215  -1.515  -2.479
   58    HG3  GLU   8           HG1      GLU   8  -8.691  -0.449  -1.173
   59    H    TYR   9           H        TYR   9  -6.144  -2.612   1.130
   60    HA   TYR   9           HA       TYR   9  -4.377  -4.708   0.666
   61    HB2  TYR   9           HB2      TYR   9  -3.716  -2.782   1.998
   62    HB3  TYR   9           HB1      TYR   9  -4.908  -3.186   3.224
   63    HD1  TYR   9           HD1      TYR   9  -4.371  -4.634   5.002
   64    HD2  TYR   9           HD2      TYR   9  -1.768  -4.357   1.658
   65    HE1  TYR   9           HE1      TYR   9  -2.713  -5.996   6.201
   66    HE2  TYR   9           HE2      TYR   9  -0.105  -5.724   2.838
   67    HH   TYR   9           HH       TYR   9   0.497  -6.302   5.186
   68    H    GLU  10           H        GLU  10  -6.976  -4.493   3.055
   69    HA   GLU  10           HA       GLU  10  -6.466  -7.091   4.047
   70    HB2  GLU  10           HB2      GLU  10  -8.886  -5.346   4.430
   71    HB3  GLU  10           HB1      GLU  10  -8.492  -6.781   5.374
   72    HG2  GLU  10           HG2      GLU  10  -6.377  -5.682   6.065
   73    HG3  GLU  10           HG1      GLU  10  -6.909  -4.230   5.227
   74    H    VAL  11           H        VAL  11  -8.684  -5.806   1.633
   75    HA   VAL  11           HA       VAL  11 -10.089  -8.241   1.280
   76    HB   VAL  11           HB       VAL  11  -9.662  -5.984  -0.728
   77   HG11  VAL  11          HG11      VAL  11 -11.596  -6.904  -1.923
   78   HG12  VAL  11          HG12      VAL  11 -11.664  -8.250  -0.785
   79   HG13  VAL  11          3HG1      VAL  11 -10.277  -8.073  -1.861
   80   HG21  VAL  11          HG21      VAL  11 -11.983  -6.602   1.099
   81   HG22  VAL  11          HG22      VAL  11 -11.944  -5.320  -0.108
   82   HG23  VAL  11          HG23      VAL  11 -10.846  -5.265   1.272
   83    H    CYS  12           H        CYS  12  -7.180  -6.914  -0.179
   84    HA   CYS  12           HA       CYS  12  -6.512  -8.861  -2.021
   85    HB2  CYS  12           HB2      CYS  12  -5.192  -6.840  -1.810
   86    HB3  CYS  12           HB1      CYS  12  -4.755  -7.241  -0.158
   87    H    ARG  13           H        ARG  13  -5.949  -8.819   1.470
   88    HA   ARG  13           HA       ARG  13  -4.574 -11.296   1.622
   89    HB2  ARG  13           HB2      ARG  13  -6.300 -10.038   3.771
   90    HB3  ARG  13           HB1      ARG  13  -5.051 -11.246   4.010
   91    HG2  ARG  13           HG2      ARG  13  -3.366  -9.590   3.271
   92    HG3  ARG  13           HG1      ARG  13  -4.652  -8.388   3.149
   93    HD2  ARG  13           HD2      ARG  13  -3.575  -8.099   5.268
   94    HD3  ARG  13           HD1      ARG  13  -5.166  -8.804   5.559
   95    HE   ARG  13           HE       ARG  13  -2.769 -10.502   5.414
   96   HH11  ARG  13          HH11      ARG  13  -5.504  -9.311   7.349
   97   HH12  ARG  13          HH12      ARG  13  -5.246 -10.423   8.599
   98   HH21  ARG  13          HH21      ARG  13  -2.444 -11.975   7.089
   99   HH22  ARG  13          HH22      ARG  13  -3.453 -12.000   8.470
  100    H    LEU  14           H        LEU  14  -7.963 -10.405   2.207
  101    HA   LEU  14           HA       LEU  14  -8.990 -12.916   2.793
  102    HB2  LEU  14           HB2      LEU  14 -10.348 -10.637   1.365
  103    HB3  LEU  14           HB1      LEU  14 -11.174 -12.025   2.034
  104    HG   LEU  14           HG       LEU  14  -9.631  -9.976   3.629
  105   HD11  LEU  14          HD11      LEU  14 -12.597 -10.417   3.334
  106   HD12  LEU  14          HD12      LEU  14 -11.678  -9.057   2.691
  107   HD13  LEU  14          HD13      LEU  14 -11.829  -9.273   4.433
  108   HD21  LEU  14          HD21      LEU  14  -9.588 -12.178   4.684
  109   HD22  LEU  14          HD22      LEU  14 -11.339 -12.302   4.520
  110   HD23  LEU  14          HD23      LEU  14 -10.638 -11.080   5.578
  111    H    ARG  15           H        ARG  15  -8.542 -11.417  -0.358
  112    HA   ARG  15           HA       ARG  15  -9.794 -13.430  -1.878
  113    HB2  ARG  15           HB2      ARG  15  -7.583 -11.522  -2.651
  114    HB3  ARG  15           HB1      ARG  15  -8.416 -12.565  -3.792
  115    HG2  ARG  15           HG2      ARG  15 -10.521 -11.440  -3.296
  116    HG3  ARG  15           HG1      ARG  15  -9.702 -10.420  -2.116
  117    HD2  ARG  15           HD2      ARG  15  -8.298  -9.495  -3.885
  118    HD3  ARG  15           HD1      ARG  15  -9.107 -10.516  -5.075
  119    HE   ARG  15           HE       ARG  15 -11.077  -9.109  -3.791
  120   HH11  ARG  15          HH11      ARG  15  -8.301  -8.317  -5.819
  121   HH12  ARG  15          HH12      ARG  15  -8.980  -6.883  -6.444
  122   HH21  ARG  15          HH21      ARG  15 -12.014  -7.096  -4.625
  123   HH22  ARG  15          HH22      ARG  15 -11.130  -6.153  -5.720
  124    H    CYS  16           H        CYS  16  -6.375 -12.968  -1.082
  125    HA   CYS  16           HA       CYS  16  -5.698 -15.383  -2.388
  126    HB2  CYS  16           HB2      CYS  16  -4.124 -13.418  -0.812
  127    HB3  CYS  16           HB1      CYS  16  -3.402 -14.948  -1.288
  128    H    GLN  17           H        GLN  17  -6.531 -14.707   0.933
  129    HA   GLN  17           HA       GLN  17  -5.391 -17.123   1.918
  130    HB2  GLN  17           HB2      GLN  17  -7.620 -15.436   3.079
  131    HB3  GLN  17           HB1      GLN  17  -6.866 -16.787   3.908
  132    HG2  GLN  17           HG2      GLN  17  -4.720 -15.608   3.875
  133    HG3  GLN  17           HG1      GLN  17  -5.482 -14.257   3.037
  134   HE21  GLN  17          1HE2      GLN  17  -5.158 -15.935   6.042
  135   HE22  GLN  17          2HE2      GLN  17  -5.882 -14.710   7.032
  136    H    VAL  18           H        VAL  18  -8.328 -16.379   0.288
  137    HA   VAL  18           HA       VAL  18  -9.507 -18.947   0.954
  138    HB   VAL  18           HB       VAL  18 -10.518 -16.745  -0.878
  139   HG11  VAL  18          HG11      VAL  18 -12.667 -17.923  -0.839
  140   HG12  VAL  18          HG12      VAL  18 -11.937 -19.227   0.095
  141   HG13  VAL  18          3HG1      VAL  18 -11.403 -18.922  -1.557
  142   HG21  VAL  18          HG21      VAL  18 -10.473 -16.074   1.448
  143   HG22  VAL  18          HG22      VAL  18 -11.322 -17.547   1.909
  144   HG23  VAL  18          HG23      VAL  18 -12.138 -16.333   0.924
  145    H    ALA  19           H        ALA  19  -8.298 -17.278  -1.950
  146    HA   ALA  19           HA       ALA  19  -8.761 -19.469  -3.685
  147    HB1  ALA  19           HB1      ALA  19  -7.464 -18.227  -5.308
  148    HB2  ALA  19           HB2      ALA  19  -6.840 -17.182  -4.032
  149    HB3  ALA  19           HB3      ALA  19  -8.554 -17.143  -4.439
  150    H    GLU  20           H        GLU  20  -5.833 -18.259  -2.116
  151    HA   GLU  20           HA       GLU  20  -4.418 -20.638  -3.005
  152    HB2  GLU  20           HB2      GLU  20  -3.420 -18.127  -1.649
  153    HB3  GLU  20           HB1      GLU  20  -2.410 -19.445  -2.219
  154    HG2  GLU  20           HG2      GLU  20  -4.103 -17.626  -3.915
  155    HG3  GLU  20           HG1      GLU  20  -2.349 -17.577  -3.762
  156    H    ARG  21           H        ARG  21  -3.822 -22.155  -1.556
  157    HA   ARG  21           HA       ARG  21  -4.591 -21.608   1.203
  158    HB2  ARG  21           HB2      ARG  21  -4.613 -24.247  -0.256
  159    HB3  ARG  21           HB1      ARG  21  -4.910 -24.061   1.467
  160    HG2  ARG  21           HG2      ARG  21  -6.571 -22.885  -0.755
  161    HG3  ARG  21           HG1      ARG  21  -7.004 -24.271   0.246
  162    HD2  ARG  21           HD2      ARG  21  -6.615 -21.420   1.186
  163    HD3  ARG  21           HD1      ARG  21  -8.139 -22.281   1.028
  164    HE   ARG  21           HE       ARG  21  -6.723 -23.859   2.687
  165   HH11  ARG  21          HH11      ARG  21  -7.477 -20.388   2.815
  166   HH12  ARG  21          HH12      ARG  21  -7.553 -20.346   4.505
  167   HH21  ARG  21          HH21      ARG  21  -6.797 -23.770   5.011
  168   HH22  ARG  21          HH22      ARG  21  -7.184 -22.311   5.783
  169    H    GLY  22           H        GLY  22  -2.074 -21.713  -0.621
  170    HA2  GLY  22           HA2      GLY  22  -0.382 -22.925   1.429
  171    HA3  GLY  22           HA1      GLY  22   0.143 -22.554  -0.215
  172    H    VAL  23           H        VAL  23   1.057 -21.673   2.528
  173    HA   VAL  23           HA       VAL  23   0.262 -18.965   2.795
  174    HB   VAL  23           HB       VAL  23   2.651 -20.304   4.096
  175   HG11  VAL  23          HG11      VAL  23   2.403 -18.564   5.815
  176   HG12  VAL  23          HG12      VAL  23   1.089 -17.845   4.890
  177   HG13  VAL  23          3HG1      VAL  23   2.717 -17.856   4.231
  178   HG21  VAL  23          HG21      VAL  23   1.173 -20.692   6.016
  179   HG22  VAL  23          HG22      VAL  23   0.595 -21.536   4.579
  180   HG23  VAL  23          HG23      VAL  23  -0.186 -20.044   5.098
  181    H    GLU  24           H        GLU  24   2.867 -20.553   1.110
  182    HA   GLU  24           HA       GLU  24   4.714 -18.549   0.786
  183    HB2  GLU  24           HB2      GLU  24   4.673 -21.033   0.022
  184    HB3  GLU  24           HB1      GLU  24   3.874 -20.429  -1.414
  185    HG2  GLU  24           HG2      GLU  24   6.590 -19.632  -0.457
  186    HG3  GLU  24           HG1      GLU  24   6.260 -20.820  -1.716
  187    H    GLN  25           H        GLN  25   1.925 -19.289  -1.296
  188    HA   GLN  25           HA       GLN  25   2.329 -16.985  -2.915
  189    HB2  GLN  25           HB2      GLN  25   0.042 -18.908  -2.727
  190    HB3  GLN  25           HB1      GLN  25   0.052 -17.545  -3.835
  191    HG2  GLN  25           HG2      GLN  25   2.139 -19.708  -3.787
  192    HG3  GLN  25           HG1      GLN  25   0.759 -19.671  -4.888
  193   HE21  GLN  25          1HE2      GLN  25   3.890 -18.295  -4.132
  194   HE22  GLN  25          2HE2      GLN  25   4.009 -17.374  -5.571
  195    H    GLN  26           H        GLN  26   0.210 -17.690  -0.200
  196    HA   GLN  26           HA       GLN  26  -1.344 -15.307  -0.322
  197    HB2  GLN  26           HB2      GLN  26  -0.485 -16.829   2.153
  198    HB3  GLN  26           HB1      GLN  26  -1.808 -15.683   2.057
  199    HG2  GLN  26           HG2      GLN  26  -3.042 -17.188   0.615
  200    HG3  GLN  26           HG1      GLN  26  -1.685 -18.315   0.596
  201   HE21  GLN  26          1HE2      GLN  26  -4.381 -18.857   1.481
  202   HE22  GLN  26          2HE2      GLN  26  -4.257 -19.279   3.152
  203    H    ARG  27           H        ARG  27   1.765 -16.060   1.114
  204    HA   ARG  27           HA       ARG  27   2.168 -13.630   2.460
  205    HB2  ARG  27           HB2      ARG  27   3.446 -15.801   2.780
  206    HB3  ARG  27           HB1      ARG  27   4.315 -15.413   1.305
  207    HG2  ARG  27           HG2      ARG  27   5.668 -14.769   3.136
  208    HG3  ARG  27           HG1      ARG  27   5.049 -13.286   2.400
  209    HD2  ARG  27           HD2      ARG  27   4.864 -13.064   4.784
  210    HD3  ARG  27           HD1      ARG  27   3.246 -13.291   4.122
  211    HE   ARG  27           HE       ARG  27   4.440 -15.740   4.894
  212   HH11  ARG  27          HH11      ARG  27   2.717 -12.943   6.202
  213   HH12  ARG  27          HH12      ARG  27   2.087 -13.784   7.540
  214   HH21  ARG  27          HH21      ARG  27   3.623 -16.874   6.721
  215   HH22  ARG  27          HH22      ARG  27   2.622 -16.060   7.851
  216    H    LYS  28           H        LYS  28   3.145 -14.764  -0.778
  217    HA   LYS  28           HA       LYS  28   4.356 -12.349  -1.532
  218    HB2  LYS  28           HB2      LYS  28   3.284 -14.650  -3.122
  219    HB3  LYS  28           HB1      LYS  28   3.774 -13.179  -3.948
  220    HG2  LYS  28           HG2      LYS  28   6.021 -13.386  -3.000
  221    HG3  LYS  28           HG1      LYS  28   5.524 -14.854  -2.157
  222    HD2  LYS  28           HD2      LYS  28   5.230 -16.034  -4.189
  223    HD3  LYS  28           HD1      LYS  28   5.347 -14.558  -5.144
  224    HE2  LYS  28           HE2      LYS  28   7.398 -15.939  -5.257
  225    HE3  LYS  28           HE1      LYS  28   7.690 -14.335  -4.600
  226    HZ1  LYS  28           HZ1      LYS  28   7.811 -15.249  -2.418
  227    HZ2  LYS  28           HZ2      LYS  28   8.834 -16.159  -3.385
  228    HZ3  LYS  28           HZ3      LYS  28   7.320 -16.763  -2.927
  229    H    CYS  29           H        CYS  29   1.016 -13.416  -1.860
  230    HA   CYS  29           HA       CYS  29  -0.035 -11.239  -3.219
  231    HB2  CYS  29           HB2      CYS  29  -1.162 -12.974  -1.049
  232    HB3  CYS  29           HB1      CYS  29  -2.142 -11.735  -1.792
  233    H    GLU  30           H        GLU  30   0.347 -11.647   0.311
  234    HA   GLU  30           HA       GLU  30  -0.565  -9.087   0.998
  235    HB2  GLU  30           HB2      GLU  30   1.393 -10.832   2.484
  236    HB3  GLU  30           HB1      GLU  30   0.569  -9.432   3.148
  237    HG2  GLU  30           HG2      GLU  30  -1.585 -10.586   2.778
  238    HG3  GLU  30           HG1      GLU  30  -0.686 -12.007   2.247
  239    H    GLN  31           H        GLN  31   2.624 -10.336   0.277
  240    HA   GLN  31           HA       GLN  31   4.228  -8.171   0.905
  241    HB2  GLN  31           HB2      GLN  31   5.082 -10.379   0.274
  242    HB3  GLN  31           HB1      GLN  31   4.495 -10.144  -1.360
  243    HG2  GLN  31           HG2      GLN  31   6.063  -8.279  -1.638
  244    HG3  GLN  31           HG1      GLN  31   6.673  -8.582  -0.010
  245   HE21  GLN  31          1HE2      GLN  31   7.930 -10.414   0.370
  246   HE22  GLN  31          2HE2      GLN  31   8.627 -11.303  -0.933
  247    H    VAL  32           H        VAL  32   2.841  -8.940  -2.300
  248    HA   VAL  32           HA       VAL  32   3.720  -6.625  -3.611
  249    HB   VAL  32           HB       VAL  32   1.264  -8.303  -4.245
  250   HG11  VAL  32          HG11      VAL  32   1.166  -6.139  -5.375
  251   HG12  VAL  32          HG12      VAL  32   1.473  -7.433  -6.534
  252   HG13  VAL  32          3HG1      VAL  32   2.792  -6.385  -6.011
  253   HG21  VAL  32          HG21      VAL  32   3.311  -9.625  -4.220
  254   HG22  VAL  32          HG22      VAL  32   4.082  -8.473  -5.311
  255   HG23  VAL  32          HG23      VAL  32   2.714  -9.436  -5.869
  256    H    CYS  33           H        CYS  33   0.602  -7.303  -2.061
  257    HA   CYS  33           HA       CYS  33  -0.461  -4.771  -2.615
  258    HB2  CYS  33           HB2      CYS  33  -1.255  -6.822  -0.543
  259    HB3  CYS  33           HB1      CYS  33  -2.174  -5.352  -0.860
  260    H    GLU  34           H        GLU  34   1.409  -5.937   0.169
  261    HA   GLU  34           HA       GLU  34   0.948  -3.627   1.731
  262    HB2  GLU  34           HB2      GLU  34   1.780  -5.935   2.552
  263    HB3  GLU  34           HB1      GLU  34   3.342  -5.436   1.956
  264    HG2  GLU  34           HG2      GLU  34   3.518  -3.682   3.484
  265    HG3  GLU  34           HG1      GLU  34   1.820  -3.803   3.952
  266    H    GLU  35           H        GLU  35   3.264  -4.435  -0.739
  267    HA   GLU  35           HA       GLU  35   5.009  -2.253  -0.355
  268    HB2  GLU  35           HB2      GLU  35   4.307  -3.847  -2.807
  269    HB3  GLU  35           HB1      GLU  35   5.522  -2.580  -2.805
  270    HG2  GLU  35           HG2      GLU  35   5.579  -5.036  -1.080
  271    HG3  GLU  35           HG1      GLU  35   6.478  -4.826  -2.581
  272    H    ARG  36           H        ARG  36   2.016  -2.607  -2.148
  273    HA   ARG  36           HA       ARG  36   2.046  -0.035  -3.388
  274    HB2  ARG  36           HB2      ARG  36   0.553  -2.128  -3.894
  275    HB3  ARG  36           HB1      ARG  36  -0.481  -1.486  -2.628
  276    HG2  ARG  36           HG2      ARG  36  -0.400   0.703  -3.990
  277    HG3  ARG  36           HG1      ARG  36   0.144  -0.330  -5.313
  278    HD2  ARG  36           HD2      ARG  36  -2.199  -0.183  -5.550
  279    HD3  ARG  36           HD1      ARG  36  -1.914  -1.760  -4.802
  280    HE   ARG  36           HE       ARG  36  -2.209  -0.011  -2.733
  281   HH11  ARG  36          HH11      ARG  36  -4.345  -1.248  -5.280
  282   HH12  ARG  36          HH12      ARG  36  -5.771  -0.724  -4.491
  283   HH21  ARG  36          HH21      ARG  36  -4.121   0.695  -1.728
  284   HH22  ARG  36          HH22      ARG  36  -5.652   0.444  -2.470
  285    H    LEU  37           H        LEU  37   0.850  -1.337  -0.375
  286    HA   LEU  37           HA       LEU  37  -0.442   0.998   0.562
  287    HB2  LEU  37           HB2      LEU  37   0.382  -1.597   1.736
  288    HB3  LEU  37           HB1      LEU  37   0.007  -0.295   2.839
  289    HG   LEU  37           HG       LEU  37  -1.873  -1.853   2.447
  290   HD11  LEU  37          HD11      LEU  37  -2.276   0.982   1.557
  291   HD12  LEU  37          HD12      LEU  37  -2.323   0.349   3.209
  292   HD13  LEU  37          HD13      LEU  37  -3.560  -0.125   2.044
  293   HD21  LEU  37          HD21      LEU  37  -1.569  -2.399   0.102
  294   HD22  LEU  37          HD22      LEU  37  -1.840  -0.723  -0.350
  295   HD23  LEU  37          HD23      LEU  37  -3.163  -1.670   0.328
  296    H    ARG  38           H        ARG  38   2.776  -0.265   0.828
  297    HA   ARG  38           HA       ARG  38   3.919   1.280   2.819
  298    HB2  ARG  38           HB2      ARG  38   5.010  -0.609   1.669
  299    HB3  ARG  38           HB1      ARG  38   5.128   0.355   0.216
  300    HG2  ARG  38           HG2      ARG  38   7.257   0.369   1.158
  301    HG3  ARG  38           HG1      ARG  38   6.573   1.945   1.550
  302    HD2  ARG  38           HD2      ARG  38   6.677  -0.432   3.406
  303    HD3  ARG  38           HD1      ARG  38   7.824   0.896   3.422
  304    HE   ARG  38           HE       ARG  38   5.011   0.983   4.239
  305   HH11  ARG  38          HH11      ARG  38   8.172   2.566   4.083
  306   HH12  ARG  38          HH12      ARG  38   7.852   3.647   5.356
  307   HH21  ARG  38          HH21      ARG  38   4.561   2.486   5.966
  308   HH22  ARG  38          HH22      ARG  38   5.737   3.638   6.424
  309    H    GLU  39           H        GLU  39   3.484   1.969  -0.594
  310    HA   GLU  39           HA       GLU  39   4.842   4.397  -0.790
  311    HB2  GLU  39           HB2      GLU  39   2.398   3.494  -2.333
  312    HB3  GLU  39           HB1      GLU  39   3.498   4.776  -2.817
  313    HG2  GLU  39           HG2      GLU  39   5.310   3.160  -3.032
  314    HG3  GLU  39           HG1      GLU  39   4.234   1.876  -2.495
  315    H    ARG  40           H        ARG  40   1.643   3.673   0.372
  316    HA   ARG  40           HA       ARG  40   0.913   6.489   0.451
  317    HB2  ARG  40           HB2      ARG  40  -0.680   4.027   1.155
  318    HB3  ARG  40           HB1      ARG  40  -1.291   5.674   1.233
  319    HG2  ARG  40           HG2      ARG  40  -0.330   4.274  -1.250
  320    HG3  ARG  40           HG1      ARG  40  -2.012   4.564  -0.798
  321    HD2  ARG  40           HD2      ARG  40  -1.591   6.987  -0.853
  322    HD3  ARG  40           HD1      ARG  40   0.072   6.677  -1.334
  323    HE   ARG  40           HE       ARG  40  -1.452   5.376  -3.172
  324   HH11  ARG  40          HH11      ARG  40  -1.158   8.733  -2.086
  325   HH12  ARG  40          HH12      ARG  40  -1.563   9.388  -3.608
  326   HH21  ARG  40          HH21      ARG  40  -2.011   6.288  -5.216
  327   HH22  ARG  40          HH22      ARG  40  -2.053   7.986  -5.403
  328    H    GLU  41           H        GLU  41   1.970   4.021   2.605
  329    HA   GLU  41           HA       GLU  41   1.224   5.495   4.942
  330    HB2  GLU  41           HB2      GLU  41   2.978   3.094   4.562
  331    HB3  GLU  41           HB1      GLU  41   2.691   3.830   6.133
  332    HG2  GLU  41           HG2      GLU  41   0.551   2.746   4.324
  333    HG3  GLU  41           HG1      GLU  41   1.251   1.882   5.689
  334    H    GLN  42           H        GLN  42   4.228   5.090   3.103
  335    HA   GLN  42           HA       GLN  42   5.542   6.930   4.943
  336    HB2  GLN  42           HB2      GLN  42   7.561   6.638   3.630
  337    HB3  GLN  42           HB1      GLN  42   6.868   5.067   3.991
  338    HG2  GLN  42           HG2      GLN  42   6.008   4.881   1.748
  339    HG3  GLN  42           HG1      GLN  42   6.538   6.520   1.377
  340   HE21  GLN  42          1HE2      GLN  42   7.818   5.837  -0.291
  341   HE22  GLN  42          2HE2      GLN  42   9.311   5.004  -0.050
  342    H    GLY  43           H        GLY  43   3.595   7.091   2.293
  343    HA2  GLY  43           HA2      GLY  43   4.725   9.555   1.276
  344    HA3  GLY  43           HA1      GLY  43   3.432   8.608   0.545
  345    H    ARG  44           H        ARG  44   4.059  11.378   1.987
  346    HA   ARG  44           HA       ARG  44   1.501  11.586   3.404
  347    HB2  ARG  44           HB2      ARG  44   3.900  13.425   3.273
  348    HB3  ARG  44           HB1      ARG  44   2.432  13.789   4.168
  349    HG2  ARG  44           HG2      ARG  44   2.775  11.860   5.574
  350    HG3  ARG  44           HG1      ARG  44   4.204  11.408   4.648
  351    HD2  ARG  44           HD2      ARG  44   5.308  13.469   5.349
  352    HD3  ARG  44           HD1      ARG  44   3.870  13.939   6.261
  353    HE   ARG  44           HE       ARG  44   4.325  11.624   7.359
  354   HH11  ARG  44          HH11      ARG  44   6.702  14.134   6.589
  355   HH12  ARG  44          HH12      ARG  44   7.802  13.662   7.801
  356   HH21  ARG  44          HH21      ARG  44   5.817  11.010   9.044
  357   HH22  ARG  44          HH22      ARG  44   7.302  11.826   9.211
  358    H    GLY  45           H        GLY  45   2.042  11.460   0.443
  359    HA2  GLY  45           HA2      GLY  45   1.084  12.345  -1.423
  360    HA3  GLY  45           HA1      GLY  45   0.245  13.506  -0.389
  361    H    GLU  46           H        GLU  46   0.920  15.465  -0.340
  362    HA   GLU  46           HA       GLU  46   3.622  16.041  -1.221
  363    HB2  GLU  46           HB2      GLU  46   2.051  16.608  -2.993
  364    HB3  GLU  46           HB1      GLU  46   1.085  17.527  -1.854
  365    HG2  GLU  46           HG2      GLU  46   2.921  19.106  -1.580
  366    HG3  GLU  46           HG1      GLU  46   3.877  18.182  -2.739
  367    H    ASP  47           H        ASP  47   4.486  16.411   0.739
  368    HA   ASP  47           HA       ASP  47   3.486  18.677   2.246
  369    HB2  ASP  47           HB2      ASP  47   2.448  16.692   3.343
  370    HB3  ASP  47           HB1      ASP  47   4.056  16.029   3.605
  371    H    VAL  48           H        VAL  48   5.216  19.732   1.487
  372    HA   VAL  48           HA       VAL  48   7.242  20.666   1.564
  373    HB   VAL  48           HB       VAL  48   7.681  18.986   4.060
  374   HG11  VAL  48          HG11      VAL  48   9.362  20.643   4.675
  375   HG12  VAL  48          HG12      VAL  48   9.108  21.478   3.147
  376   HG13  VAL  48          3HG1      VAL  48   9.786  19.847   3.157
  377   HG21  VAL  48          HG21      VAL  48   6.673  21.812   3.755
  378   HG22  VAL  48          HG22      VAL  48   7.034  21.009   5.282
  379   HG23  VAL  48          HG23      VAL  48   5.724  20.413   4.260
  380    H    ASP  49           H        ASP  49   8.008  19.917  -0.308
  381    HA   ASP  49           HA       ASP  49   9.487  17.398  -0.351
  382    HB2  ASP  49           HB2      ASP  49   7.877  17.870  -2.205
  383    HB3  ASP  49           HB1      ASP  49   8.844  19.270  -2.640
  Start of MODEL    6
    1    H    PCA   1           H        PGL   1  -8.913   8.873  -0.915
    2    HA   PCA   1           HA       PGL   1 -10.123   7.744   1.019
    3    HB2  PCA   1           HB1      PGL   1 -11.816   9.007   1.850
    4    HB3  PCA   1           HB2      PGL   1 -12.737   8.721   0.347
    5    HG2  PCA   1           HG1      PGL   1 -11.357  11.143   1.181
    6    HG3  PCA   1           HG2      PGL   1 -12.346  10.863  -0.292
    7    H    ARG   2           H        ARG   2 -11.009   8.408  -2.260
    8    HA   ARG   2           HA       ARG   2 -12.655   6.061  -2.521
    9    HB2  ARG   2           HB2      ARG   2 -13.063   8.126  -3.847
   10    HB3  ARG   2           HB1      ARG   2 -11.528   7.881  -4.660
   11    HG2  ARG   2           HG2      ARG   2 -12.344   5.803  -5.616
   12    HG3  ARG   2           HG1      ARG   2 -13.871   6.003  -4.757
   13    HD2  ARG   2           HD2      ARG   2 -14.246   8.112  -5.944
   14    HD3  ARG   2           HD1      ARG   2 -12.752   7.863  -6.845
   15    HE   ARG   2           HE       ARG   2 -14.134   5.621  -7.345
   16   HH11  ARG   2          HH11      ARG   2 -14.911   9.056  -7.628
   17   HH12  ARG   2          HH12      ARG   2 -16.064   8.880  -8.858
   18   HH21  ARG   2          HH21      ARG   2 -15.721   5.353  -9.118
   19   HH22  ARG   2          HH22      ARG   2 -16.535   6.719  -9.719
   20    H    GLY   3           H        GLY   3 -11.886   4.100  -2.817
   21    HA2  GLY   3           HA2      GLY   3 -10.436   2.403  -3.450
   22    HA3  GLY   3           HA1      GLY   3  -9.373   3.621  -4.174
   23    H    SER   4           H        SER   4 -10.656   2.728  -1.020
   24    HA   SER   4           HA       SER   4  -8.708   4.135   0.410
   25    HB2  SER   4           HB2      SER   4 -10.455   1.894   1.416
   26    HB3  SER   4           HB1      SER   4  -9.754   3.228   2.332
   27    HG   SER   4           HG       SER   4 -10.967   4.571   0.673
   28    HA   PRO   5           HA       PRO   5  -5.241   1.589  -0.212
   29    HB2  PRO   5           HB2      PRO   5  -3.860   2.311   2.085
   30    HB3  PRO   5           HB1      PRO   5  -3.862   3.207   0.563
   31    HG2  PRO   5           HG2      PRO   5  -5.443   3.662   3.045
   32    HG3  PRO   5           HG1      PRO   5  -4.718   4.842   1.938
   33    HD2  PRO   5           HD2      PRO   5  -7.330   4.317   1.927
   34    HD3  PRO   5           HD1      PRO   5  -6.445   4.680   0.428
   35    H    ARG   6           H        ARG   6  -6.428   1.511   3.169
   36    HA   ARG   6           HA       ARG   6  -5.128  -1.023   3.547
   37    HB2  ARG   6           HB2      ARG   6  -5.269   0.572   5.438
   38    HB3  ARG   6           HB1      ARG   6  -7.021   0.413   5.430
   39    HG2  ARG   6           HG2      ARG   6  -6.792  -1.987   5.916
   40    HG3  ARG   6           HG1      ARG   6  -5.045  -1.788   5.987
   41    HD2  ARG   6           HD2      ARG   6  -5.316  -0.224   7.853
   42    HD3  ARG   6           HD1      ARG   6  -7.064  -0.450   7.776
   43    HE   ARG   6           HE       ARG   6  -5.828  -2.948   7.992
   44   HH11  ARG   6          HH11      ARG   6  -6.376  -0.096   9.996
   45   HH12  ARG   6          HH12      ARG   6  -6.434  -0.950  11.458
   46   HH21  ARG   6          HH21      ARG   6  -5.881  -4.136   9.978
   47   HH22  ARG   6          HH22      ARG   6  -6.135  -3.334  11.451
   48    H    ALA   7           H        ALA   7  -8.293   0.152   2.825
   49    HA   ALA   7           HA       ALA   7  -9.760  -2.176   3.387
   50    HB1  ALA   7           HB1      ALA   7 -10.806   0.012   2.905
   51    HB2  ALA   7           HB2      ALA   7 -11.458  -1.286   1.909
   52    HB3  ALA   7           HB3      ALA   7 -10.299  -0.150   1.221
   53    H    GLU   8           H        GLU   8  -8.247  -1.042   0.397
   54    HA   GLU   8           HA       GLU   8  -8.768  -3.343  -1.163
   55    HB2  GLU   8           HB2      GLU   8  -6.465  -1.412  -1.340
   56    HB3  GLU   8           HB1      GLU   8  -6.936  -2.552  -2.585
   57    HG2  GLU   8           HG2      GLU   8  -9.005  -1.373  -2.937
   58    HG3  GLU   8           HG1      GLU   8  -8.642  -0.285  -1.591
   59    H    TYR   9           H        TYR   9  -6.109  -2.405   0.934
   60    HA   TYR   9           HA       TYR   9  -4.259  -4.421   0.518
   61    HB2  TYR   9           HB2      TYR   9  -3.827  -2.467   1.943
   62    HB3  TYR   9           HB1      TYR   9  -5.025  -3.037   3.085
   63    HD1  TYR   9           HD1      TYR   9  -4.416  -4.413   4.858
   64    HD2  TYR   9           HD2      TYR   9  -1.739  -3.899   1.604
   65    HE1  TYR   9           HE1      TYR   9  -2.682  -5.596   6.118
   66    HE2  TYR   9           HE2      TYR   9   0.005  -5.068   2.830
   67    HH   TYR   9           HH       TYR   9   0.601  -5.644   5.210
   68    H    GLU  10           H        GLU  10  -6.936  -4.378   2.843
   69    HA   GLU  10           HA       GLU  10  -6.388  -7.015   3.681
   70    HB2  GLU  10           HB2      GLU  10  -8.772  -5.271   4.189
   71    HB3  GLU  10           HB1      GLU  10  -8.524  -6.843   4.943
   72    HG2  GLU  10           HG2      GLU  10  -6.349  -5.980   5.811
   73    HG3  GLU  10           HG1      GLU  10  -6.817  -4.391   5.215
   74    H    VAL  11           H        VAL  11  -8.610  -5.684   1.308
   75    HA   VAL  11           HA       VAL  11  -9.928  -8.155   0.862
   76    HB   VAL  11           HB       VAL  11  -9.560  -5.851  -1.111
   77   HG11  VAL  11          HG11      VAL  11 -11.489  -8.180  -1.189
   78   HG12  VAL  11          HG12      VAL  11 -10.122  -7.933  -2.275
   79   HG13  VAL  11          3HG1      VAL  11 -11.489  -6.818  -2.306
   80   HG21  VAL  11          HG21      VAL  11 -10.770  -5.181   0.900
   81   HG22  VAL  11          HG22      VAL  11 -11.878  -6.537   0.698
   82   HG23  VAL  11          HG23      VAL  11 -11.855  -5.234  -0.490
   83    H    CYS  12           H        CYS  12  -7.021  -6.688  -0.469
   84    HA   CYS  12           HA       CYS  12  -6.289  -8.567  -2.354
   85    HB2  CYS  12           HB2      CYS  12  -5.005  -6.535  -2.110
   86    HB3  CYS  12           HB1      CYS  12  -4.585  -6.936  -0.453
   87    H    ARG  13           H        ARG  13  -5.702  -8.566   1.133
   88    HA   ARG  13           HA       ARG  13  -4.315 -11.038   1.287
   89    HB2  ARG  13           HB2      ARG  13  -6.115  -9.818   3.392
   90    HB3  ARG  13           HB1      ARG  13  -4.857 -11.009   3.668
   91    HG2  ARG  13           HG2      ARG  13  -3.164  -9.350   3.056
   92    HG3  ARG  13           HG1      ARG  13  -4.434  -8.178   2.744
   93    HD2  ARG  13           HD2      ARG  13  -3.537  -7.737   4.919
   94    HD3  ARG  13           HD1      ARG  13  -5.160  -8.380   5.110
   95    HE   ARG  13           HE       ARG  13  -2.765 -10.081   5.443
   96   HH11  ARG  13          HH11      ARG  13  -5.938  -9.050   6.658
   97   HH12  ARG  13          HH12      ARG  13  -5.749  -9.798   8.169
   98   HH21  ARG  13          HH21      ARG  13  -2.521 -11.084   7.460
   99   HH22  ARG  13          HH22      ARG  13  -3.734 -10.997   8.651
  100    H    LEU  14           H        LEU  14  -7.714 -10.193   1.853
  101    HA   LEU  14           HA       LEU  14  -8.714 -12.712   2.423
  102    HB2  LEU  14           HB2      LEU  14 -10.106 -10.402   1.089
  103    HB3  LEU  14           HB1      LEU  14 -10.925 -11.824   1.693
  104    HG   LEU  14           HG       LEU  14  -9.370  -9.865   3.385
  105   HD11  LEU  14          HD11      LEU  14 -12.341 -10.262   3.083
  106   HD12  LEU  14          HD12      LEU  14 -11.412  -8.882   2.499
  107   HD13  LEU  14          HD13      LEU  14 -11.553  -9.180   4.231
  108   HD21  LEU  14          HD21      LEU  14  -9.336 -12.100   4.341
  109   HD22  LEU  14          HD22      LEU  14 -11.081 -12.232   4.139
  110   HD23  LEU  14          HD23      LEU  14 -10.413 -11.057   5.269
  111    H    ARG  15           H        ARG  15  -8.313 -11.223  -0.754
  112    HA   ARG  15           HA       ARG  15  -9.559 -13.182  -2.327
  113    HB2  ARG  15           HB2      ARG  15  -7.085 -11.562  -2.917
  114    HB3  ARG  15           HB1      ARG  15  -7.914 -12.545  -4.108
  115    HG2  ARG  15           HG2      ARG  15  -9.048 -10.152  -2.672
  116    HG3  ARG  15           HG1      ARG  15  -8.474 -10.199  -4.341
  117    HD2  ARG  15           HD2      ARG  15 -10.186 -11.884  -4.854
  118    HD3  ARG  15           HD1      ARG  15 -10.781 -11.756  -3.199
  119    HE   ARG  15           HE       ARG  15 -10.663  -9.264  -4.558
  120   HH11  ARG  15          HH11      ARG  15 -12.637 -12.166  -4.079
  121   HH12  ARG  15          HH12      ARG  15 -14.105 -11.422  -4.486
  122   HH21  ARG  15          HH21      ARG  15 -12.689  -8.225  -5.098
  123   HH22  ARG  15          HH22      ARG  15 -14.136  -9.114  -5.068
  124    H    CYS  16           H        CYS  16  -6.205 -12.928  -1.352
  125    HA   CYS  16           HA       CYS  16  -5.450 -15.380  -2.502
  126    HB2  CYS  16           HB2      CYS  16  -4.093 -13.623  -0.489
  127    HB3  CYS  16           HB1      CYS  16  -3.312 -14.947  -1.349
  128    H    GLN  17           H        GLN  17  -6.382 -14.430   0.759
  129    HA   GLN  17           HA       GLN  17  -5.624 -16.831   2.021
  130    HB2  GLN  17           HB2      GLN  17  -7.672 -14.771   2.827
  131    HB3  GLN  17           HB1      GLN  17  -7.181 -16.116   3.842
  132    HG2  GLN  17           HG2      GLN  17  -4.895 -15.267   3.878
  133    HG3  GLN  17           HG1      GLN  17  -5.371 -13.936   2.827
  134   HE21  GLN  17          1HE2      GLN  17  -4.259 -13.886   5.492
  135   HE22  GLN  17          2HE2      GLN  17  -5.379 -13.015   6.477
  136    H    VAL  18           H        VAL  18  -8.456 -15.959   0.222
  137    HA   VAL  18           HA       VAL  18  -9.751 -18.399   1.090
  138    HB   VAL  18           HB       VAL  18 -10.766 -16.262  -0.815
  139   HG11  VAL  18          HG11      VAL  18 -12.213 -18.643   0.356
  140   HG12  VAL  18          HG12      VAL  18 -11.744 -18.446  -1.331
  141   HG13  VAL  18          3HG1      VAL  18 -12.945 -17.368  -0.619
  142   HG21  VAL  18          HG21      VAL  18 -10.597 -15.481   1.486
  143   HG22  VAL  18          HG22      VAL  18 -11.499 -16.888   2.046
  144   HG23  VAL  18          HG23      VAL  18 -12.289 -15.683   1.030
  145    H    ALA  19           H        ALA  19  -8.457 -17.016  -1.921
  146    HA   ALA  19           HA       ALA  19  -9.163 -19.268  -3.500
  147    HB1  ALA  19           HB1      ALA  19  -7.092 -17.155  -4.072
  148    HB2  ALA  19           HB2      ALA  19  -8.810 -17.036  -4.456
  149    HB3  ALA  19           HB3      ALA  19  -7.812 -18.262  -5.242
  150    H    GLU  20           H        GLU  20  -6.130 -18.311  -1.940
  151    HA   GLU  20           HA       GLU  20  -4.881 -20.779  -2.872
  152    HB2  GLU  20           HB2      GLU  20  -3.749 -18.218  -1.771
  153    HB3  GLU  20           HB1      GLU  20  -2.786 -19.665  -2.024
  154    HG2  GLU  20           HG2      GLU  20  -4.293 -18.176  -4.156
  155    HG3  GLU  20           HG1      GLU  20  -2.554 -18.076  -3.860
  156    H    ARG  21           H        ARG  21  -4.218 -22.305  -1.482
  157    HA   ARG  21           HA       ARG  21  -4.725 -21.774   1.348
  158    HB2  ARG  21           HB2      ARG  21  -4.849 -24.214   1.671
  159    HB3  ARG  21           HB1      ARG  21  -6.039 -23.648   0.520
  160    HG2  ARG  21           HG2      ARG  21  -4.640 -24.456  -1.316
  161    HG3  ARG  21           HG1      ARG  21  -3.446 -25.020  -0.142
  162    HD2  ARG  21           HD2      ARG  21  -4.854 -26.875  -0.841
  163    HD3  ARG  21           HD1      ARG  21  -5.148 -26.495   0.854
  164    HE   ARG  21           HE       ARG  21  -6.904 -25.305  -1.134
  165   HH11  ARG  21          HH11      ARG  21  -6.505 -27.763   1.407
  166   HH12  ARG  21          HH12      ARG  21  -8.157 -28.114   1.532
  167   HH21  ARG  21          HH21      ARG  21  -9.171 -25.820  -0.976
  168   HH22  ARG  21          HH22      ARG  21  -9.731 -26.997   0.117
  169    H    GLY  22           H        GLY  22  -2.360 -21.265  -0.477
  170    HA2  GLY  22           HA2      GLY  22  -0.334 -22.632   1.132
  171    HA3  GLY  22           HA1      GLY  22  -0.043 -21.850  -0.423
  172    H    VAL  23           H        VAL  23   1.018 -21.519   2.383
  173    HA   VAL  23           HA       VAL  23   0.142 -19.023   3.364
  174    HB   VAL  23           HB       VAL  23   2.702 -20.544   3.955
  175   HG11  VAL  23          HG11      VAL  23   2.948 -18.183   4.541
  176   HG12  VAL  23          HG12      VAL  23   2.834 -19.175   5.995
  177   HG13  VAL  23          3HG1      VAL  23   1.439 -18.244   5.449
  178   HG21  VAL  23          HG21      VAL  23   1.540 -21.251   5.986
  179   HG22  VAL  23          HG22      VAL  23   0.671 -21.774   4.541
  180   HG23  VAL  23          HG23      VAL  23   0.099 -20.386   5.463
  181    H    GLU  24           H        GLU  24   2.893 -19.978   1.346
  182    HA   GLU  24           HA       GLU  24   4.065 -17.433   1.364
  183    HB2  GLU  24           HB2      GLU  24   4.415 -19.743  -0.502
  184    HB3  GLU  24           HB1      GLU  24   5.233 -18.210  -0.763
  185    HG2  GLU  24           HG2      GLU  24   5.469 -19.928   1.692
  186    HG3  GLU  24           HG1      GLU  24   6.652 -19.805   0.391
  187    H    GLN  25           H        GLN  25   1.656 -18.800  -0.812
  188    HA   GLN  25           HA       GLN  25   1.809 -16.630  -2.620
  189    HB2  GLN  25           HB2      GLN  25  -0.593 -18.400  -2.095
  190    HB3  GLN  25           HB1      GLN  25  -0.481 -17.228  -3.397
  191    HG2  GLN  25           HG2      GLN  25   0.011 -19.197  -4.459
  192    HG3  GLN  25           HG1      GLN  25   1.616 -18.569  -4.095
  193   HE21  GLN  25          1HE2      GLN  25  -0.710 -20.967  -3.480
  194   HE22  GLN  25          2HE2      GLN  25   0.297 -22.032  -2.544
  195    H    GLN  26           H        GLN  26  -0.244 -17.207   0.170
  196    HA   GLN  26           HA       GLN  26  -1.673 -14.756   0.059
  197    HB2  GLN  26           HB2      GLN  26  -0.949 -16.518   2.404
  198    HB3  GLN  26           HB1      GLN  26  -2.070 -15.170   2.487
  199    HG2  GLN  26           HG2      GLN  26  -3.567 -16.290   0.939
  200    HG3  GLN  26           HG1      GLN  26  -2.421 -17.622   0.776
  201   HE21  GLN  26          1HE2      GLN  26  -4.104 -19.036   1.527
  202   HE22  GLN  26          2HE2      GLN  26  -4.448 -19.147   3.202
  203    H    ARG  27           H        ARG  27   1.312 -15.673   1.666
  204    HA   ARG  27           HA       ARG  27   1.787 -13.235   2.926
  205    HB2  ARG  27           HB2      ARG  27   2.883 -15.258   3.617
  206    HB3  ARG  27           HB1      ARG  27   3.647 -15.424   2.048
  207    HG2  ARG  27           HG2      ARG  27   5.062 -13.578   2.456
  208    HG3  ARG  27           HG1      ARG  27   4.178 -13.147   3.921
  209    HD2  ARG  27           HD2      ARG  27   5.608 -15.750   3.507
  210    HD3  ARG  27           HD1      ARG  27   6.317 -14.353   4.322
  211    HE   ARG  27           HE       ARG  27   4.174 -14.621   5.782
  212   HH11  ARG  27          HH11      ARG  27   5.980 -17.354   4.424
  213   HH12  ARG  27          HH12      ARG  27   5.878 -18.279   5.853
  214   HH21  ARG  27          HH21      ARG  27   3.968 -15.974   7.698
  215   HH22  ARG  27          HH22      ARG  27   4.729 -17.499   7.719
  216    H    LYS  28           H        LYS  28   2.888 -14.425  -0.257
  217    HA   LYS  28           HA       LYS  28   4.334 -12.094  -0.897
  218    HB2  LYS  28           HB2      LYS  28   3.033 -14.133  -2.715
  219    HB3  LYS  28           HB1      LYS  28   4.041 -12.815  -3.293
  220    HG2  LYS  28           HG2      LYS  28   5.938 -13.696  -2.035
  221    HG3  LYS  28           HG1      LYS  28   4.927 -14.997  -1.413
  222    HD2  LYS  28           HD2      LYS  28   6.300 -15.800  -3.268
  223    HD3  LYS  28           HD1      LYS  28   4.595 -15.823  -3.707
  224    HE2  LYS  28           HE2      LYS  28   4.860 -13.783  -4.977
  225    HE3  LYS  28           HE1      LYS  28   6.537 -13.633  -4.458
  226    HZ1  LYS  28           HZ1      LYS  28   6.366 -14.525  -6.678
  227    HZ2  LYS  28           HZ2      LYS  28   5.450 -15.846  -6.132
  228    HZ3  LYS  28           HZ3      LYS  28   7.048 -15.649  -5.633
  229    H    CYS  29           H        CYS  29   0.960 -12.950  -1.276
  230    HA   CYS  29           HA       CYS  29   0.086 -10.736  -2.733
  231    HB2  CYS  29           HB2      CYS  29  -1.255 -12.385  -0.614
  232    HB3  CYS  29           HB1      CYS  29  -2.128 -11.136  -1.465
  233    H    GLU  30           H        GLU  30   0.457 -11.190   0.760
  234    HA   GLU  30           HA       GLU  30  -0.444  -8.640   1.497
  235    HB2  GLU  30           HB2      GLU  30   1.497 -10.446   2.958
  236    HB3  GLU  30           HB1      GLU  30   0.623  -9.091   3.664
  237    HG2  GLU  30           HG2      GLU  30  -1.488 -10.223   3.221
  238    HG3  GLU  30           HG1      GLU  30  -0.617 -11.579   2.519
  239    H    GLN  31           H        GLN  31   2.789  -9.917   0.926
  240    HA   GLN  31           HA       GLN  31   4.291  -7.629   1.397
  241    HB2  GLN  31           HB2      GLN  31   4.731  -9.888  -0.534
  242    HB3  GLN  31           HB1      GLN  31   5.913  -8.617  -0.275
  243    HG2  GLN  31           HG2      GLN  31   6.198  -9.251   2.005
  244    HG3  GLN  31           HG1      GLN  31   4.846 -10.379   1.907
  245   HE21  GLN  31          1HE2      GLN  31   6.183 -12.020   2.571
  246   HE22  GLN  31          2HE2      GLN  31   7.307 -12.801   1.515
  247    H    VAL  32           H        VAL  32   3.089  -8.729  -1.791
  248    HA   VAL  32           HA       VAL  32   3.981  -6.512  -3.248
  249    HB   VAL  32           HB       VAL  32   1.635  -8.355  -3.828
  250   HG11  VAL  32          HG11      VAL  32   1.781  -7.591  -6.160
  251   HG12  VAL  32          HG12      VAL  32   3.017  -6.422  -5.697
  252   HG13  VAL  32          3HG1      VAL  32   1.374  -6.257  -5.078
  253   HG21  VAL  32          HG21      VAL  32   3.784  -9.489  -3.731
  254   HG22  VAL  32          HG22      VAL  32   4.461  -8.328  -4.874
  255   HG23  VAL  32          HG23      VAL  32   3.191  -9.433  -5.391
  256    H    CYS  33           H        CYS  33   0.841  -7.054  -1.689
  257    HA   CYS  33           HA       CYS  33  -0.114  -4.548  -2.583
  258    HB2  CYS  33           HB2      CYS  33  -1.191  -6.509  -0.571
  259    HB3  CYS  33           HB1      CYS  33  -2.013  -4.996  -0.942
  260    H    GLU  34           H        GLU  34   1.638  -5.564   0.259
  261    HA   GLU  34           HA       GLU  34   1.132  -3.193   1.723
  262    HB2  GLU  34           HB2      GLU  34   1.940  -5.443   2.665
  263    HB3  GLU  34           HB1      GLU  34   3.512  -5.020   2.032
  264    HG2  GLU  34           HG2      GLU  34   3.768  -3.229   3.520
  265    HG3  GLU  34           HG1      GLU  34   2.059  -3.245   3.956
  266    H    GLU  35           H        GLU  35   3.544  -4.195  -0.638
  267    HA   GLU  35           HA       GLU  35   5.248  -1.962  -0.462
  268    HB2  GLU  35           HB2      GLU  35   4.452  -3.490  -2.949
  269    HB3  GLU  35           HB1      GLU  35   5.804  -2.381  -2.836
  270    HG2  GLU  35           HG2      GLU  35   6.845  -3.888  -1.187
  271    HG3  GLU  35           HG1      GLU  35   5.501  -5.009  -1.415
  272    H    ARG  36           H        ARG  36   2.371  -2.579  -2.389
  273    HA   ARG  36           HA       ARG  36   2.155  -0.144  -3.762
  274    HB2  ARG  36           HB2      ARG  36   0.771  -2.278  -4.052
  275    HB3  ARG  36           HB1      ARG  36  -0.201  -1.696  -2.711
  276    HG2  ARG  36           HG2      ARG  36  -0.444   0.451  -4.102
  277    HG3  ARG  36           HG1      ARG  36   0.089  -0.549  -5.453
  278    HD2  ARG  36           HD2      ARG  36  -2.290  -0.597  -5.448
  279    HD3  ARG  36           HD1      ARG  36  -1.746  -2.162  -4.829
  280    HE   ARG  36           HE       ARG  36  -2.026  -0.863  -2.580
  281   HH11  ARG  36          HH11      ARG  36  -4.256  -1.100  -5.307
  282   HH12  ARG  36          HH12      ARG  36  -5.616  -0.583  -4.422
  283   HH21  ARG  36          HH21      ARG  36  -3.889  -0.112  -1.367
  284   HH22  ARG  36          HH22      ARG  36  -5.388   0.046  -2.189
  285    H    LEU  37           H        LEU  37   1.026  -1.092  -0.577
  286    HA   LEU  37           HA       LEU  37  -0.397   1.230   0.127
  287    HB2  LEU  37           HB2      LEU  37   0.779  -1.087   1.510
  288    HB3  LEU  37           HB1      LEU  37   0.558   0.311   2.524
  289    HG   LEU  37           HG       LEU  37  -1.299  -1.371   2.597
  290   HD11  LEU  37          HD11      LEU  37  -1.620   0.933   3.290
  291   HD12  LEU  37          HD12      LEU  37  -3.068   0.279   2.526
  292   HD13  LEU  37          HD13      LEU  37  -2.016   1.380   1.630
  293   HD21  LEU  37          HD21      LEU  37  -2.956  -1.275   0.724
  294   HD22  LEU  37          HD22      LEU  37  -1.431  -2.040   0.294
  295   HD23  LEU  37          HD23      LEU  37  -1.759  -0.393  -0.221
  296    H    ARG  38           H        ARG  38   2.942   0.323   0.675
  297    HA   ARG  38           HA       ARG  38   3.658   2.698   2.009
  298    HB2  ARG  38           HB2      ARG  38   4.869   0.557   2.209
  299    HB3  ARG  38           HB1      ARG  38   5.394   0.716   0.542
  300    HG2  ARG  38           HG2      ARG  38   6.684   2.672   1.090
  301    HG3  ARG  38           HG1      ARG  38   6.081   2.641   2.749
  302    HD2  ARG  38           HD2      ARG  38   7.101   0.441   3.063
  303    HD3  ARG  38           HD1      ARG  38   7.730   0.501   1.420
  304    HE   ARG  38           HE       ARG  38   8.514   2.771   2.917
  305   HH11  ARG  38          HH11      ARG  38   9.213  -0.669   2.591
  306   HH12  ARG  38          HH12      ARG  38  10.861  -0.500   2.998
  307   HH21  ARG  38          HH21      ARG  38  10.743   2.996   3.475
  308   HH22  ARG  38          HH22      ARG  38  11.740   1.610   3.510
  309    H    GLU  39           H        GLU  39   3.945   1.644  -1.359
  310    HA   GLU  39           HA       GLU  39   5.314   3.888  -2.327
  311    HB2  GLU  39           HB2      GLU  39   3.443   2.023  -3.784
  312    HB3  GLU  39           HB1      GLU  39   4.466   3.215  -4.570
  313    HG2  GLU  39           HG2      GLU  39   5.405   0.874  -2.924
  314    HG3  GLU  39           HG1      GLU  39   5.460   1.005  -4.681
  315    H    ARG  40           H        ARG  40   2.014   3.590  -1.429
  316    HA   ARG  40           HA       ARG  40   1.172   5.893  -2.954
  317    HB2  ARG  40           HB2      ARG  40  -0.465   4.113  -2.412
  318    HB3  ARG  40           HB1      ARG  40  -0.269   4.460  -0.699
  319    HG2  ARG  40           HG2      ARG  40  -1.089   6.778  -1.138
  320    HG3  ARG  40           HG1      ARG  40  -1.418   6.299  -2.796
  321    HD2  ARG  40           HD2      ARG  40  -2.650   5.079  -0.327
  322    HD3  ARG  40           HD1      ARG  40  -3.437   6.243  -1.383
  323    HE   ARG  40           HE       ARG  40  -2.531   3.833  -2.674
  324   HH11  ARG  40          HH11      ARG  40  -5.362   5.501  -1.229
  325   HH12  ARG  40          HH12      ARG  40  -6.433   4.294  -1.764
  326   HH21  ARG  40          HH21      ARG  40  -4.091   2.257  -3.343
  327   HH22  ARG  40          HH22      ARG  40  -5.730   2.394  -2.927
  328    H    GLU  41           H        GLU  41   1.925   5.183   0.448
  329    HA   GLU  41           HA       GLU  41   1.405   7.962   1.117
  330    HB2  GLU  41           HB2      GLU  41   1.690   7.263   3.450
  331    HB3  GLU  41           HB1      GLU  41   0.451   6.361   2.594
  332    HG2  GLU  41           HG2      GLU  41   2.094   4.524   2.287
  333    HG3  GLU  41           HG1      GLU  41   3.221   5.429   3.299
  334    H    GLN  42           H        GLN  42   4.195   5.858   0.871
  335    HA   GLN  42           HA       GLN  42   5.897   7.949   1.973
  336    HB2  GLN  42           HB2      GLN  42   6.269   5.575   2.571
  337    HB3  GLN  42           HB1      GLN  42   6.554   5.206   0.881
  338    HG2  GLN  42           HG2      GLN  42   8.475   6.797   0.951
  339    HG3  GLN  42           HG1      GLN  42   8.240   6.903   2.696
  340   HE21  GLN  42          1HE2      GLN  42   9.115   4.851   0.057
  341   HE22  GLN  42          2HE2      GLN  42   9.904   3.634   0.973
  342    H    GLY  43           H        GLY  43   4.728   6.716  -0.959
  343    HA2  GLY  43           HA2      GLY  43   6.888   7.673  -2.602
  344    HA3  GLY  43           HA1      GLY  43   5.380   6.947  -3.149
  345    H    ARG  44           H        ARG  44   7.111   9.707  -3.163
  346    HA   ARG  44           HA       ARG  44   4.700  11.305  -3.424
  347    HB2  ARG  44           HB2      ARG  44   7.446  12.214  -2.552
  348    HB3  ARG  44           HB1      ARG  44   6.102  13.291  -2.904
  349    HG2  ARG  44           HG2      ARG  44   6.254  11.247  -0.697
  350    HG3  ARG  44           HG1      ARG  44   6.266  13.006  -0.530
  351    HD2  ARG  44           HD2      ARG  44   3.997  13.093  -1.488
  352    HD3  ARG  44           HD1      ARG  44   4.003  11.340  -1.619
  353    HE   ARG  44           HE       ARG  44   4.331  12.609   0.978
  354   HH11  ARG  44          HH11      ARG  44   2.541  10.421  -1.165
  355   HH12  ARG  44          HH12      ARG  44   1.376  10.005  -0.006
  356   HH21  ARG  44          HH21      ARG  44   2.792  12.000   2.593
  357   HH22  ARG  44          HH22      ARG  44   1.558  10.889   2.236
  358    H    GLY  45           H        GLY  45   5.067  13.195  -4.881
  359    HA2  GLY  45           HA2      GLY  45   5.556  13.959  -7.002
  360    HA3  GLY  45           HA1      GLY  45   6.856  12.765  -7.088
  361    H    GLU  46           H        GLU  46   3.787  11.742  -6.126
  362    HA   GLU  46           HA       GLU  46   2.761  10.953  -8.660
  363    HB2  GLU  46           HB2      GLU  46   4.563   9.245  -8.260
  364    HB3  GLU  46           HB1      GLU  46   3.793   8.834  -6.740
  365    HG2  GLU  46           HG2      GLU  46   1.833   8.037  -7.924
  366    HG3  GLU  46           HG1      GLU  46   2.552   8.508  -9.463
  367    H    ASP  47           H        ASP  47   0.814  11.678  -8.164
  368    HA   ASP  47           HA       ASP  47  -0.197  11.425  -5.456
  369    HB2  ASP  47           HB2      ASP  47  -1.198  12.994  -7.815
  370    HB3  ASP  47           HB1      ASP  47  -2.146  12.800  -6.350
  371    H    VAL  48           H        VAL  48  -0.782   9.452  -5.167
  372    HA   VAL  48           HA       VAL  48  -3.028   8.477  -6.772
  373    HB   VAL  48           HB       VAL  48  -1.028   6.873  -5.128
  374   HG11  VAL  48          HG11      VAL  48  -2.163   4.890  -6.008
  375   HG12  VAL  48          HG12      VAL  48  -3.343   5.922  -6.813
  376   HG13  VAL  48          3HG1      VAL  48  -3.262   5.884  -5.051
  377   HG21  VAL  48          HG21      VAL  48  -0.082   7.670  -7.224
  378   HG22  VAL  48          HG22      VAL  48  -1.446   6.992  -8.113
  379   HG23  VAL  48          HG23      VAL  48  -0.322   5.923  -7.274
  380    H    ASP  49           H        ASP  49  -4.801   8.954  -5.702
  381    HA   ASP  49           HA       ASP  49  -6.348   9.230  -4.127
  382    HB2  ASP  49           HB2      ASP  49  -6.165   6.924  -3.567
  383    HB3  ASP  49           HB1      ASP  49  -4.668   7.183  -2.689
  Start of MODEL    7
    1    H    PCA   1           H        PGL   1  -9.405   2.677  -9.643
    2    HA   PCA   1           HA       PGL   1 -11.360   1.138  -9.375
    3    HB2  PCA   1           HB1      PGL   1 -11.189  -0.664 -10.760
    4    HB3  PCA   1           HB2      PGL   1  -9.991  -1.344  -9.624
    5    HG2  PCA   1           HG1      PGL   1  -9.521  -0.179 -12.260
    6    HG3  PCA   1           HG2      PGL   1  -8.341  -0.945 -11.141
    7    H    ARG   2           H        ARG   2  -8.462   1.665  -8.069
    8    HA   ARG   2           HA       ARG   2  -9.115   0.176  -5.646
    9    HB2  ARG   2           HB2      ARG   2  -6.601   0.176  -5.177
   10    HB3  ARG   2           HB1      ARG   2  -7.170  -0.912  -6.426
   11    HG2  ARG   2           HG2      ARG   2  -6.390   0.621  -8.145
   12    HG3  ARG   2           HG1      ARG   2  -5.874   1.764  -6.904
   13    HD2  ARG   2           HD2      ARG   2  -3.987   0.436  -7.763
   14    HD3  ARG   2           HD1      ARG   2  -4.273   0.147  -6.051
   15    HE   ARG   2           HE       ARG   2  -5.648  -1.761  -7.581
   16   HH11  ARG   2          HH11      ARG   2  -2.284  -0.882  -6.765
   17   HH12  ARG   2          HH12      ARG   2  -1.708  -2.472  -6.813
   18   HH21  ARG   2          HH21      ARG   2  -4.820  -4.019  -7.602
   19   HH22  ARG   2          HH22      ARG   2  -3.184  -4.269  -7.254
   20    H    GLY   3           H        GLY   3  -9.944   1.565  -4.323
   21    HA2  GLY   3           HA2      GLY   3  -8.992   4.313  -4.358
   22    HA3  GLY   3           HA1      GLY   3 -10.526   3.758  -3.712
   23    H    SER   4           H        SER   4 -10.337   2.350  -1.707
   24    HA   SER   4           HA       SER   4  -8.742   3.877   0.143
   25    HB2  SER   4           HB2      SER   4 -10.482   1.520   0.821
   26    HB3  SER   4           HB1      SER   4 -10.095   2.927   1.805
   27    HG   SER   4           HG       SER   4 -11.131   4.105  -0.067
   28    HA   PRO   5           HA       PRO   5  -5.383   1.018  -0.504
   29    HB2  PRO   5           HB2      PRO   5  -3.681   2.058   1.360
   30    HB3  PRO   5           HB1      PRO   5  -3.941   2.761  -0.237
   31    HG2  PRO   5           HG2      PRO   5  -5.134   3.535   2.392
   32    HG3  PRO   5           HG1      PRO   5  -4.530   4.584   1.096
   33    HD2  PRO   5           HD2      PRO   5  -7.143   4.119   1.494
   34    HD3  PRO   5           HD1      PRO   5  -6.476   4.371  -0.128
   35    H    ARG   6           H        ARG   6  -6.532   1.602   2.773
   36    HA   ARG   6           HA       ARG   6  -5.125  -0.737   3.753
   37    HB2  ARG   6           HB2      ARG   6  -7.076   1.091   5.183
   38    HB3  ARG   6           HB1      ARG   6  -6.124  -0.179   5.938
   39    HG2  ARG   6           HG2      ARG   6  -4.062   0.948   5.302
   40    HG3  ARG   6           HG1      ARG   6  -4.997   2.206   4.503
   41    HD2  ARG   6           HD2      ARG   6  -5.110   1.555   7.438
   42    HD3  ARG   6           HD1      ARG   6  -4.170   2.864   6.731
   43    HE   ARG   6           HE       ARG   6  -7.024   2.876   6.181
   44   HH11  ARG   6          HH11      ARG   6  -4.366   4.171   8.127
   45   HH12  ARG   6          HH12      ARG   6  -5.264   5.479   8.728
   46   HH21  ARG   6          HH21      ARG   6  -8.250   4.703   7.000
   47   HH22  ARG   6          HH22      ARG   6  -7.498   5.792   8.075
   48    H    ALA   7           H        ALA   7  -8.282   0.114   2.715
   49    HA   ALA   7           HA       ALA   7  -9.619  -2.274   3.496
   50    HB1  ALA   7           HB1      ALA   7 -10.150  -0.452   1.145
   51    HB2  ALA   7           HB2      ALA   7 -10.833  -0.247   2.759
   52    HB3  ALA   7           HB3      ALA   7 -11.275  -1.648   1.779
   53    H    GLU   8           H        GLU   8  -8.099  -1.160   0.523
   54    HA   GLU   8           HA       GLU   8  -8.169  -3.330  -1.142
   55    HB2  GLU   8           HB2      GLU   8  -6.031  -1.296  -0.617
   56    HB3  GLU   8           HB1      GLU   8  -5.849  -2.527  -1.853
   57    HG2  GLU   8           HG2      GLU   8  -8.108  -0.555  -1.751
   58    HG3  GLU   8           HG1      GLU   8  -6.625  -0.335  -2.687
   59    H    TYR   9           H        TYR   9  -5.739  -2.569   1.271
   60    HA   TYR   9           HA       TYR   9  -4.033  -4.690   0.926
   61    HB2  TYR   9           HB2      TYR   9  -3.505  -2.739   2.266
   62    HB3  TYR   9           HB1      TYR   9  -4.688  -3.222   3.472
   63    HD1  TYR   9           HD1      TYR   9  -1.527  -4.247   1.860
   64    HD2  TYR   9           HD2      TYR   9  -4.136  -4.693   5.161
   65    HE1  TYR   9           HE1      TYR   9   0.171  -5.587   2.986
   66    HE2  TYR   9           HE2      TYR   9  -2.478  -6.042   6.328
   67    HH   TYR   9           HH       TYR   9  -0.485  -7.459   5.728
   68    H    GLU  10           H        GLU  10  -6.740  -4.528   3.248
   69    HA   GLU  10           HA       GLU  10  -6.284  -7.146   4.206
   70    HB2  GLU  10           HB2      GLU  10  -8.539  -5.228   4.488
   71    HB3  GLU  10           HB1      GLU  10  -8.687  -6.892   5.068
   72    HG2  GLU  10           HG2      GLU  10  -6.551  -4.964   5.880
   73    HG3  GLU  10           HG1      GLU  10  -8.024  -5.300   6.802
   74    H    VAL  11           H        VAL  11  -8.496  -5.900   1.757
   75    HA   VAL  11           HA       VAL  11  -9.757  -8.410   1.401
   76    HB   VAL  11           HB       VAL  11  -9.621  -6.116  -0.588
   77   HG11  VAL  11          HG11      VAL  11 -11.698  -7.080  -1.482
   78   HG12  VAL  11          HG12      VAL  11 -11.560  -8.418  -0.343
   79   HG13  VAL  11          3HG1      VAL  11 -10.352  -8.213  -1.610
   80   HG21  VAL  11          HG21      VAL  11 -11.672  -6.730   1.532
   81   HG22  VAL  11          HG22      VAL  11 -11.781  -5.453   0.319
   82   HG23  VAL  11          HG23      VAL  11 -10.522  -5.392   1.552
   83    H    CYS  12           H        CYS  12  -6.962  -6.888  -0.016
   84    HA   CYS  12           HA       CYS  12  -6.297  -8.602  -2.084
   85    HB2  CYS  12           HB2      CYS  12  -5.057  -6.569  -1.629
   86    HB3  CYS  12           HB1      CYS  12  -4.556  -7.178  -0.064
   87    H    ARG  13           H        ARG  13  -5.629  -8.905   1.368
   88    HA   ARG  13           HA       ARG  13  -4.189 -11.378   1.228
   89    HB2  ARG  13           HB2      ARG  13  -5.726 -10.258   3.599
   90    HB3  ARG  13           HB1      ARG  13  -4.365 -11.371   3.650
   91    HG2  ARG  13           HG2      ARG  13  -2.854  -9.635   2.918
   92    HG3  ARG  13           HG1      ARG  13  -4.193  -8.536   2.653
   93    HD2  ARG  13           HD2      ARG  13  -3.224  -7.862   4.692
   94    HD3  ARG  13           HD1      ARG  13  -4.689  -8.724   5.132
   95    HE   ARG  13           HE       ARG  13  -2.250 -10.305   5.161
   96   HH11  ARG  13          HH11      ARG  13  -4.433  -8.273   7.127
   97   HH12  ARG  13          HH12      ARG  13  -3.861  -8.919   8.596
   98   HH21  ARG  13          HH21      ARG  13  -1.450 -11.070   7.156
   99   HH22  ARG  13          HH22      ARG  13  -2.103 -10.529   8.637
  100    H    LEU  14           H        LEU  14  -7.510 -10.452   1.973
  101    HA   LEU  14           HA       LEU  14  -8.576 -12.940   2.595
  102    HB2  LEU  14           HB2      LEU  14  -9.718 -10.806   2.999
  103    HB3  LEU  14           HB1      LEU  14  -9.935 -10.600   1.277
  104    HG   LEU  14           HG       LEU  14 -11.410 -12.577   1.226
  105   HD11  LEU  14          HD11      LEU  14 -12.245 -13.523   3.322
  106   HD12  LEU  14          HD12      LEU  14 -11.078 -12.553   4.223
  107   HD13  LEU  14          HD13      LEU  14 -10.518 -13.807   3.118
  108   HD21  LEU  14          HD21      LEU  14 -12.202 -10.456   3.219
  109   HD22  LEU  14          HD22      LEU  14 -13.308 -11.533   2.368
  110   HD23  LEU  14          HD23      LEU  14 -12.360 -10.351   1.466
  111    H    ARG  15           H        ARG  15  -8.401 -11.328  -0.565
  112    HA   ARG  15           HA       ARG  15  -9.824 -13.174  -2.100
  113    HB2  ARG  15           HB2      ARG  15  -7.431 -11.524  -2.935
  114    HB3  ARG  15           HB1      ARG  15  -8.462 -12.399  -4.050
  115    HG2  ARG  15           HG2      ARG  15  -9.307 -10.127  -2.269
  116    HG3  ARG  15           HG1      ARG  15  -8.977 -10.025  -3.997
  117    HD2  ARG  15           HD2      ARG  15 -10.832 -11.566  -4.439
  118    HD3  ARG  15           HD1      ARG  15 -11.149 -11.678  -2.706
  119    HE   ARG  15           HE       ARG  15 -11.142  -9.001  -3.525
  120   HH11  ARG  15          HH11      ARG  15 -13.164 -11.886  -3.833
  121   HH12  ARG  15          HH12      ARG  15 -14.637 -11.048  -3.849
  122   HH21  ARG  15          HH21      ARG  15 -13.178  -7.821  -3.546
  123   HH22  ARG  15          HH22      ARG  15 -14.634  -8.661  -3.666
  124    H    CYS  16           H        CYS  16  -6.390 -13.094  -1.362
  125    HA   CYS  16           HA       CYS  16  -5.766 -15.385  -2.846
  126    HB2  CYS  16           HB2      CYS  16  -4.309 -13.984  -0.624
  127    HB3  CYS  16           HB1      CYS  16  -3.578 -15.253  -1.596
  128    H    GLN  17           H        GLN  17  -6.756 -14.946   0.498
  129    HA   GLN  17           HA       GLN  17  -6.141 -17.576   1.394
  130    HB2  GLN  17           HB2      GLN  17  -8.178 -15.605   2.389
  131    HB3  GLN  17           HB1      GLN  17  -7.703 -17.063   3.247
  132    HG2  GLN  17           HG2      GLN  17  -5.458 -16.237   3.500
  133    HG3  GLN  17           HG1      GLN  17  -5.832 -14.824   2.518
  134   HE21  GLN  17          1HE2      GLN  17  -8.480 -14.494   3.779
  135   HE22  GLN  17          2HE2      GLN  17  -8.163 -13.859   5.344
  136    H    VAL  18           H        VAL  18  -8.711 -16.312  -0.473
  137    HA   VAL  18           HA       VAL  18 -10.405 -18.651  -0.018
  138    HB   VAL  18           HB       VAL  18 -10.890 -16.263  -1.816
  139   HG11  VAL  18          HG11      VAL  18 -12.158 -18.219  -2.531
  140   HG12  VAL  18          HG12      VAL  18 -13.235 -17.002  -1.849
  141   HG13  VAL  18          3HG1      VAL  18 -12.795 -18.422  -0.900
  142   HG21  VAL  18          HG21      VAL  18 -12.453 -15.494  -0.076
  143   HG22  VAL  18          HG22      VAL  18 -10.794 -15.582   0.515
  144   HG23  VAL  18          HG23      VAL  18 -11.952 -16.836   0.952
  145    H    ALA  19           H        ALA  19  -8.552 -17.103  -2.557
  146    HA   ALA  19           HA       ALA  19  -9.271 -18.994  -4.569
  147    HB1  ALA  19           HB1      ALA  19  -8.625 -16.707  -5.123
  148    HB2  ALA  19           HB2      ALA  19  -7.569 -17.882  -5.912
  149    HB3  ALA  19           HB3      ALA  19  -7.008 -17.010  -4.487
  150    H    GLU  20           H        GLU  20  -6.439 -18.504  -2.502
  151    HA   GLU  20           HA       GLU  20  -5.325 -21.036  -3.441
  152    HB2  GLU  20           HB2      GLU  20  -3.960 -18.594  -2.307
  153    HB3  GLU  20           HB1      GLU  20  -3.156 -20.067  -2.810
  154    HG2  GLU  20           HG2      GLU  20  -4.687 -18.200  -4.603
  155    HG3  GLU  20           HG1      GLU  20  -2.932 -18.263  -4.449
  156    H    ARG  21           H        ARG  21  -4.101 -22.147  -1.724
  157    HA   ARG  21           HA       ARG  21  -4.940 -21.408   1.000
  158    HB2  ARG  21           HB2      ARG  21  -4.721 -24.195  -0.155
  159    HB3  ARG  21           HB1      ARG  21  -4.895 -23.851   1.556
  160    HG2  ARG  21           HG2      ARG  21  -6.876 -23.210  -0.610
  161    HG3  ARG  21           HG1      ARG  21  -7.015 -24.501   0.583
  162    HD2  ARG  21           HD2      ARG  21  -7.049 -21.517   1.087
  163    HD3  ARG  21           HD1      ARG  21  -8.394 -22.635   1.266
  164    HE   ARG  21           HE       ARG  21  -6.781 -23.704   2.988
  165   HH11  ARG  21          HH11      ARG  21  -7.418 -20.241   2.473
  166   HH12  ARG  21          HH12      ARG  21  -7.022 -19.804   4.068
  167   HH21  ARG  21          HH21      ARG  21  -6.192 -23.046   5.213
  168   HH22  ARG  21          HH22      ARG  21  -6.267 -21.384   5.597
  169    H    GLY  22           H        GLY  22  -2.487 -21.027  -0.753
  170    HA2  GLY  22           HA2      GLY  22  -0.550 -22.554   0.811
  171    HA3  GLY  22           HA1      GLY  22  -0.236 -21.711  -0.703
  172    H    VAL  23           H        VAL  23   0.940 -21.642   2.101
  173    HA   VAL  23           HA       VAL  23   0.320 -19.095   3.178
  174    HB   VAL  23           HB       VAL  23   1.298 -20.917   4.554
  175   HG11  VAL  23          HG11      VAL  23   2.933 -21.842   3.057
  176   HG12  VAL  23          HG12      VAL  23   3.726 -21.327   4.548
  177   HG13  VAL  23          3HG1      VAL  23   3.860 -20.344   3.091
  178   HG21  VAL  23          HG21      VAL  23   1.381 -18.661   5.409
  179   HG22  VAL  23          HG22      VAL  23   2.899 -18.365   4.563
  180   HG23  VAL  23          HG23      VAL  23   2.840 -19.530   5.885
  181    H    GLU  24           H        GLU  24   2.758 -20.199   0.857
  182    HA   GLU  24           HA       GLU  24   4.224 -17.796   0.849
  183    HB2  GLU  24           HB2      GLU  24   5.172 -19.943   0.143
  184    HB3  GLU  24           HB1      GLU  24   3.993 -20.042  -1.154
  185    HG2  GLU  24           HG2      GLU  24   4.892 -18.038  -2.112
  186    HG3  GLU  24           HG1      GLU  24   6.137 -18.003  -0.853
  187    H    GLN  25           H        GLN  25   1.508 -19.132  -0.856
  188    HA   GLN  25           HA       GLN  25   1.266 -17.298  -2.959
  189    HB2  GLN  25           HB2      GLN  25  -0.989 -18.661  -1.461
  190    HB3  GLN  25           HB1      GLN  25  -1.097 -17.949  -3.064
  191    HG2  GLN  25           HG2      GLN  25   0.598 -20.319  -2.306
  192    HG3  GLN  25           HG1      GLN  25  -0.950 -20.389  -3.144
  193   HE21  GLN  25          1HE2      GLN  25  -1.046 -19.813  -5.300
  194   HE22  GLN  25          2HE2      GLN  25   0.375 -19.612  -6.258
  195    H    GLN  26           H        GLN  26  -0.381 -17.296   0.220
  196    HA   GLN  26           HA       GLN  26  -1.376 -14.711  -0.053
  197    HB2  GLN  26           HB2      GLN  26  -0.973 -16.456   2.351
  198    HB3  GLN  26           HB1      GLN  26  -1.488 -14.786   2.533
  199    HG2  GLN  26           HG2      GLN  26  -3.433 -16.140   2.564
  200    HG3  GLN  26           HG1      GLN  26  -3.390 -15.285   1.024
  201   HE21  GLN  26          1HE2      GLN  26  -3.289 -18.321   2.600
  202   HE22  GLN  26          2HE2      GLN  26  -3.361 -19.280   1.162
  203    H    ARG  27           H        ARG  27   1.681 -15.785   1.423
  204    HA   ARG  27           HA       ARG  27   2.347 -13.235   2.363
  205    HB2  ARG  27           HB2      ARG  27   4.177 -15.517   1.600
  206    HB3  ARG  27           HB1      ARG  27   4.769 -14.013   2.290
  207    HG2  ARG  27           HG2      ARG  27   3.350 -14.402   4.278
  208    HG3  ARG  27           HG1      ARG  27   2.858 -15.944   3.586
  209    HD2  ARG  27           HD2      ARG  27   5.174 -16.719   3.642
  210    HD3  ARG  27           HD1      ARG  27   5.692 -15.163   4.299
  211    HE   ARG  27           HE       ARG  27   3.654 -16.304   5.876
  212   HH11  ARG  27          HH11      ARG  27   7.145 -16.663   5.271
  213   HH12  ARG  27          HH12      ARG  27   7.485 -17.294   6.809
  214   HH21  ARG  27          HH21      ARG  27   4.153 -17.171   8.013
  215   HH22  ARG  27          HH22      ARG  27   5.744 -17.588   8.401
  216    H    LYS  28           H        LYS  28   2.959 -14.652  -0.814
  217    HA   LYS  28           HA       LYS  28   4.382 -12.447  -1.840
  218    HB2  LYS  28           HB2      LYS  28   2.622 -14.463  -3.236
  219    HB3  LYS  28           HB1      LYS  28   3.533 -13.238  -4.099
  220    HG2  LYS  28           HG2      LYS  28   5.624 -14.200  -3.228
  221    HG3  LYS  28           HG1      LYS  28   4.686 -15.434  -2.381
  222    HD2  LYS  28           HD2      LYS  28   3.802 -16.251  -4.490
  223    HD3  LYS  28           HD1      LYS  28   4.659 -14.985  -5.366
  224    HE2  LYS  28           HE2      LYS  28   5.948 -17.200  -3.760
  225    HE3  LYS  28           HE1      LYS  28   5.774 -17.165  -5.511
  226    HZ1  LYS  28           HZ1      LYS  28   7.374 -15.277  -3.872
  227    HZ2  LYS  28           HZ2      LYS  28   7.144 -15.135  -5.523
  228    HZ3  LYS  28           HZ3      LYS  28   7.965 -16.470  -4.907
  229    H    CYS  29           H        CYS  29   0.910 -13.158  -1.760
  230    HA   CYS  29           HA       CYS  29  -0.066 -10.928  -3.137
  231    HB2  CYS  29           HB2      CYS  29  -1.247 -12.436  -0.807
  232    HB3  CYS  29           HB1      CYS  29  -2.141 -11.260  -1.749
  233    H    GLU  30           H        GLU  30   0.641 -11.378   0.297
  234    HA   GLU  30           HA       GLU  30  -0.194  -8.847   1.134
  235    HB2  GLU  30           HB2      GLU  30   1.850 -10.665   2.393
  236    HB3  GLU  30           HB1      GLU  30   1.074  -9.295   3.178
  237    HG2  GLU  30           HG2      GLU  30  -1.093 -10.384   2.895
  238    HG3  GLU  30           HG1      GLU  30  -0.289 -11.774   2.173
  239    H    GLN  31           H        GLN  31   2.976 -10.070   0.161
  240    HA   GLN  31           HA       GLN  31   4.444  -7.748   0.684
  241    HB2  GLN  31           HB2      GLN  31   5.476  -9.920   0.120
  242    HB3  GLN  31           HB1      GLN  31   4.891  -9.760  -1.528
  243    HG2  GLN  31           HG2      GLN  31   7.230  -9.184  -1.429
  244    HG3  GLN  31           HG1      GLN  31   6.280  -7.752  -1.810
  245   HE21  GLN  31          1HE2      GLN  31   7.926  -6.368  -1.084
  246   HE22  GLN  31          2HE2      GLN  31   8.244  -6.161   0.589
  247    H    VAL  32           H        VAL  32   2.874  -8.753  -2.340
  248    HA   VAL  32           HA       VAL  32   3.521  -6.547  -3.920
  249    HB   VAL  32           HB       VAL  32   0.967  -8.201  -4.010
  250   HG11  VAL  32          HG11      VAL  32   0.693  -6.095  -5.228
  251   HG12  VAL  32          HG12      VAL  32   0.737  -7.470  -6.329
  252   HG13  VAL  32          3HG1      VAL  32   2.153  -6.436  -6.156
  253   HG21  VAL  32          HG21      VAL  32   2.095  -9.431  -5.815
  254   HG22  VAL  32          HG22      VAL  32   2.958  -9.557  -4.282
  255   HG23  VAL  32          HG23      VAL  32   3.548  -8.472  -5.540
  256    H    CYS  33           H        CYS  33   0.678  -7.016  -1.880
  257    HA   CYS  33           HA       CYS  33  -0.298  -4.417  -2.427
  258    HB2  CYS  33           HB2      CYS  33  -1.162  -6.519  -0.457
  259    HB3  CYS  33           HB1      CYS  33  -1.991  -4.972  -0.640
  260    H    GLU  34           H        GLU  34   1.760  -5.686   0.099
  261    HA   GLU  34           HA       GLU  34   1.414  -3.450   1.785
  262    HB2  GLU  34           HB2      GLU  34   2.228  -5.629   2.645
  263    HB3  GLU  34           HB1      GLU  34   3.700  -5.436   1.716
  264    HG2  GLU  34           HG2      GLU  34   4.398  -3.598   3.057
  265    HG3  GLU  34           HG1      GLU  34   2.838  -3.528   3.862
  266    H    GLU  35           H        GLU  35   3.371  -4.026  -1.008
  267    HA   GLU  35           HA       GLU  35   5.330  -2.054  -0.676
  268    HB2  GLU  35           HB2      GLU  35   3.968  -2.957  -3.197
  269    HB3  GLU  35           HB1      GLU  35   5.401  -1.943  -3.149
  270    HG2  GLU  35           HG2      GLU  35   6.618  -3.724  -2.032
  271    HG3  GLU  35           HG1      GLU  35   5.174  -4.740  -2.095
  272    H    ARG  36           H        ARG  36   2.151  -1.770  -2.217
  273    HA   ARG  36           HA       ARG  36   2.423   1.040  -2.605
  274    HB2  ARG  36           HB2      ARG  36  -0.037   1.030  -3.118
  275    HB3  ARG  36           HB1      ARG  36   0.910  -0.082  -4.091
  276    HG2  ARG  36           HG2      ARG  36   0.130  -1.950  -2.827
  277    HG3  ARG  36           HG1      ARG  36  -0.644  -0.888  -1.654
  278    HD2  ARG  36           HD2      ARG  36  -2.252  -0.168  -3.274
  279    HD3  ARG  36           HD1      ARG  36  -1.393  -1.004  -4.569
  280    HE   ARG  36           HE       ARG  36  -1.888  -2.997  -2.938
  281   HH11  ARG  36          HH11      ARG  36  -4.186  -0.437  -3.816
  282   HH12  ARG  36          HH12      ARG  36  -5.485  -1.548  -4.023
  283   HH21  ARG  36          HH21      ARG  36  -3.752  -4.465  -3.267
  284   HH22  ARG  36          HH22      ARG  36  -5.239  -3.792  -3.711
  285    H    LEU  37           H        LEU  37   1.187  -0.928  -0.038
  286    HA   LEU  37           HA       LEU  37  -0.141   1.159   1.350
  287    HB2  LEU  37           HB2      LEU  37   0.637  -1.632   1.931
  288    HB3  LEU  37           HB1      LEU  37   0.329  -0.600   3.310
  289    HG   LEU  37           HG       LEU  37  -1.588  -2.022   2.548
  290   HD11  LEU  37          HD11      LEU  37  -1.974   0.976   2.530
  291   HD12  LEU  37          HD12      LEU  37  -1.937  -0.067   3.954
  292   HD13  LEU  37          HD13      LEU  37  -3.251  -0.210   2.786
  293   HD21  LEU  37          HD21      LEU  37  -1.320  -1.827   0.162
  294   HD22  LEU  37          HD22      LEU  37  -1.646  -0.092   0.231
  295   HD23  LEU  37          HD23      LEU  37  -2.920  -1.248   0.634
  296    H    ARG  38           H        ARG  38   3.111   0.022   1.259
  297    HA   ARG  38           HA       ARG  38   4.160   1.201   3.565
  298    HB2  ARG  38           HB2      ARG  38   5.296  -0.453   2.039
  299    HB3  ARG  38           HB1      ARG  38   5.532   0.848   0.887
  300    HG2  ARG  38           HG2      ARG  38   7.561   0.455   2.127
  301    HG3  ARG  38           HG1      ARG  38   6.900   2.040   2.551
  302    HD2  ARG  38           HD2      ARG  38   5.910   1.121   4.557
  303    HD3  ARG  38           HD1      ARG  38   6.484  -0.486   4.128
  304    HE   ARG  38           HE       ARG  38   8.736   0.932   4.225
  305   HH11  ARG  38          HH11      ARG  38   5.987   0.673   6.465
  306   HH12  ARG  38          HH12      ARG  38   6.955   0.894   7.863
  307   HH21  ARG  38          HH21      ARG  38  10.025   1.253   6.170
  308   HH22  ARG  38          HH22      ARG  38   9.249   1.221   7.695
  309    H    GLU  39           H        GLU  39   3.509   2.409   0.365
  310    HA   GLU  39           HA       GLU  39   4.773   4.922   0.571
  311    HB2  GLU  39           HB2      GLU  39   2.387   4.215  -1.155
  312    HB3  GLU  39           HB1      GLU  39   3.573   5.482  -1.452
  313    HG2  GLU  39           HG2      GLU  39   5.312   3.750  -1.719
  314    HG3  GLU  39           HG1      GLU  39   4.082   2.512  -1.507
  315    H    ARG  40           H        ARG  40   1.621   3.712   1.471
  316    HA   ARG  40           HA       ARG  40   0.601   6.332   2.078
  317    HB2  ARG  40           HB2      ARG  40  -0.564   3.579   2.440
  318    HB3  ARG  40           HB1      ARG  40  -1.309   4.973   3.200
  319    HG2  ARG  40           HG2      ARG  40  -2.460   4.476   1.150
  320    HG3  ARG  40           HG1      ARG  40  -1.597   5.996   0.958
  321    HD2  ARG  40           HD2      ARG  40   0.183   4.790  -0.247
  322    HD3  ARG  40           HD1      ARG  40  -0.733   3.295  -0.076
  323    HE   ARG  40           HE       ARG  40  -2.371   5.210  -1.261
  324   HH11  ARG  40          HH11      ARG  40   0.483   3.275  -2.094
  325   HH12  ARG  40          HH12      ARG  40   0.224   3.366  -3.776
  326   HH21  ARG  40          HH21      ARG  40  -2.716   5.345  -3.582
  327   HH22  ARG  40          HH22      ARG  40  -1.630   4.586  -4.637
  328    H    GLU  41           H        GLU  41   2.238   3.813   3.816
  329    HA   GLU  41           HA       GLU  41   1.738   4.806   6.438
  330    HB2  GLU  41           HB2      GLU  41   4.154   3.314   5.406
  331    HB3  GLU  41           HB1      GLU  41   3.801   3.615   7.094
  332    HG2  GLU  41           HG2      GLU  41   1.750   2.245   6.833
  333    HG3  GLU  41           HG1      GLU  41   2.276   1.867   5.189
  334    H    GLN  42           H        GLN  42   3.862   5.644   3.867
  335    HA   GLN  42           HA       GLN  42   5.617   7.288   5.478
  336    HB2  GLN  42           HB2      GLN  42   6.427   5.959   3.554
  337    HB3  GLN  42           HB1      GLN  42   5.403   6.899   2.487
  338    HG2  GLN  42           HG2      GLN  42   7.707   7.621   2.339
  339    HG3  GLN  42           HG1      GLN  42   6.697   8.902   3.010
  340   HE21  GLN  42          1HE2      GLN  42   6.953   9.488   5.135
  341   HE22  GLN  42          2HE2      GLN  42   8.302   8.966   6.087
  342    H    GLY  43           H        GLY  43   2.777   7.629   3.563
  343    HA2  GLY  43           HA2      GLY  43   1.360   9.424   3.329
  344    HA3  GLY  43           HA1      GLY  43   2.435  10.351   4.376
  345    H    ARG  44           H        ARG  44   2.410  12.170   3.095
  346    HA   ARG  44           HA       ARG  44   3.575  11.882   0.414
  347    HB2  ARG  44           HB2      ARG  44   2.525  14.064  -0.073
  348    HB3  ARG  44           HB1      ARG  44   1.351  12.829   0.356
  349    HG2  ARG  44           HG2      ARG  44   1.286  13.760   2.650
  350    HG3  ARG  44           HG1      ARG  44   2.371  15.040   2.118
  351    HD2  ARG  44           HD2      ARG  44   0.056  15.766   2.123
  352    HD3  ARG  44           HD1      ARG  44   0.722  15.768   0.485
  353    HE   ARG  44           HE       ARG  44  -0.455  13.321   0.814
  354   HH11  ARG  44          HH11      ARG  44  -1.653  16.658   1.039
  355   HH12  ARG  44          HH12      ARG  44  -3.196  16.278   0.413
  356   HH21  ARG  44          HH21      ARG  44  -2.618  12.833  -0.032
  357   HH22  ARG  44          HH22      ARG  44  -3.746  14.107  -0.182
  358    H    GLY  45           H        GLY  45   4.797  12.188   3.214
  359    HA2  GLY  45           HA2      GLY  45   6.746  14.166   2.373
  360    HA3  GLY  45           HA1      GLY  45   5.936  14.433   3.914
  361    H    GLU  46           H        GLU  46   8.758  13.892   3.293
  362    HA   GLU  46           HA       GLU  46  10.477  13.024   4.361
  363    HB2  GLU  46           HB2      GLU  46   8.479  11.417   5.912
  364    HB3  GLU  46           HB1      GLU  46  10.190  11.585   6.336
  365    HG2  GLU  46           HG2      GLU  46   8.066  13.735   6.353
  366    HG3  GLU  46           HG1      GLU  46   8.823  12.999   7.761
  367    H    ASP  47           H        ASP  47   9.041  11.926   2.113
  368    HA   ASP  47           HA       ASP  47   9.717   9.083   2.022
  369    HB2  ASP  47           HB2      ASP  47   7.664   9.721   0.908
  370    HB3  ASP  47           HB1      ASP  47   8.483  10.980   0.004
  371    H    VAL  48           H        VAL  48  10.352  11.735  -0.197
  372    HA   VAL  48           HA       VAL  48  13.190  11.146  -0.082
  373    HB   VAL  48           HB       VAL  48  11.701  11.797  -2.671
  374   HG11  VAL  48          HG11      VAL  48  14.593  11.106  -2.202
  375   HG12  VAL  48          HG12      VAL  48  13.957  12.694  -2.626
  376   HG13  VAL  48          3HG1      VAL  48  13.845  11.360  -3.777
  377   HG21  VAL  48          HG21      VAL  48  12.279   9.536  -3.436
  378   HG22  VAL  48          HG22      VAL  48  11.238   9.488  -2.012
  379   HG23  VAL  48          HG23      VAL  48  12.967   9.179  -1.852
  380    H    ASP  49           H        ASP  49  13.033  12.841   1.426
  381    HA   ASP  49           HA       ASP  49  12.435  15.445   0.255
  382    HB2  ASP  49           HB2      ASP  49  12.039  14.418   3.043
  383    HB3  ASP  49           HB1      ASP  49  12.253  16.140   2.761
  Start of MODEL    8
    1    H    PCA   1           H        PGL   1 -13.236   4.754   5.854
    2    HA   PCA   1           HA       PGL   1 -12.542   7.239   5.771
    3    HB2  PCA   1           HB1      PGL   1 -10.295   7.537   5.968
    4    HB3  PCA   1           HB2      PGL   1 -10.050   6.643   4.441
    5    HG2  PCA   1           HG1      PGL   1  -9.588   5.717   7.156
    6    HG3  PCA   1           HG2      PGL   1  -9.299   4.850   5.609
    7    H    ARG   2           H        ARG   2 -11.790   8.348   3.653
    8    HA   ARG   2           HA       ARG   2 -13.415   7.328   1.541
    9    HB2  ARG   2           HB2      ARG   2 -11.464   9.628   1.648
   10    HB3  ARG   2           HB1      ARG   2 -12.499   9.276   0.281
   11    HG2  ARG   2           HG2      ARG   2 -14.460   9.745   1.541
   12    HG3  ARG   2           HG1      ARG   2 -13.532   9.852   3.039
   13    HD2  ARG   2           HD2      ARG   2 -14.124  12.067   2.129
   14    HD3  ARG   2           HD1      ARG   2 -12.387  11.808   2.239
   15    HE   ARG   2           HE       ARG   2 -13.371  11.088  -0.308
   16   HH11  ARG   2          HH11      ARG   2 -12.639  13.958   1.641
   17   HH12  ARG   2          HH12      ARG   2 -12.136  14.900   0.315
   18   HH21  ARG   2          HH21      ARG   2 -12.673  12.411  -2.147
   19   HH22  ARG   2          HH22      ARG   2 -12.152  14.013  -1.865
   20    H    GLY   3           H        GLY   3 -12.669   5.512   0.613
   21    HA2  GLY   3           HA2      GLY   3 -11.324   4.208  -0.725
   22    HA3  GLY   3           HA1      GLY   3 -10.250   5.600  -0.923
   23    H    SER   4           H        SER   4 -11.376   3.498   1.628
   24    HA   SER   4           HA       SER   4  -9.409   3.928   3.496
   25    HB2  SER   4           HB2      SER   4 -10.814   1.327   3.061
   26    HB3  SER   4           HB1      SER   4 -10.306   2.035   4.588
   27    HG   SER   4           HG       SER   4 -11.921   3.826   3.524
   28    HA   PRO   5           HA       PRO   5  -5.997   1.987   1.160
   29    HB2  PRO   5           HB2      PRO   5  -4.125   2.370   3.154
   30    HB3  PRO   5           HB1      PRO   5  -4.548   3.579   1.939
   31    HG2  PRO   5           HG2      PRO   5  -5.522   3.291   4.749
   32    HG3  PRO   5           HG1      PRO   5  -5.040   4.762   3.884
   33    HD2  PRO   5           HD2      PRO   5  -7.594   4.161   4.228
   34    HD3  PRO   5           HD1      PRO   5  -7.032   4.859   2.695
   35    H    ARG   6           H        ARG   6  -6.677   1.330   4.561
   36    HA   ARG   6           HA       ARG   6  -5.175  -1.115   4.601
   37    HB2  ARG   6           HB2      ARG   6  -7.250  -0.177   6.571
   38    HB3  ARG   6           HB1      ARG   6  -6.063  -1.441   6.830
   39    HG2  ARG   6           HG2      ARG   6  -4.262   0.178   6.717
   40    HG3  ARG   6           HG1      ARG   6  -5.420   1.466   6.381
   41    HD2  ARG   6           HD2      ARG   6  -5.220  -0.188   8.889
   42    HD3  ARG   6           HD1      ARG   6  -4.820   1.520   8.712
   43    HE   ARG   6           HE       ARG   6  -7.553   0.651   8.153
   44   HH11  ARG   6          HH11      ARG   6  -5.368   2.471  10.301
   45   HH12  ARG   6          HH12      ARG   6  -6.640   3.231  11.125
   46   HH21  ARG   6          HH21      ARG   6  -9.261   1.693   9.323
   47   HH22  ARG   6          HH22      ARG   6  -8.884   2.801  10.549
   48    H    ALA   7           H        ALA   7  -8.523  -0.215   4.163
   49    HA   ALA   7           HA       ALA   7  -9.586  -2.828   4.386
   50    HB1  ALA   7           HB1      ALA   7 -10.728  -0.592   2.736
   51    HB2  ALA   7           HB2      ALA   7 -10.948  -0.740   4.480
   52    HB3  ALA   7           HB3      ALA   7 -11.599  -1.974   3.398
   53    H    GLU   8           H        GLU   8  -8.462  -0.936   1.623
   54    HA   GLU   8           HA       GLU   8  -8.996  -2.898  -0.337
   55    HB2  GLU   8           HB2      GLU   8  -6.923  -0.697  -0.322
   56    HB3  GLU   8           HB1      GLU   8  -7.343  -1.659  -1.731
   57    HG2  GLU   8           HG2      GLU   8  -9.167   0.201  -0.226
   58    HG3  GLU   8           HG1      GLU   8  -8.448   0.482  -1.812
   59    H    TYR   9           H        TYR   9  -6.265  -2.258   1.727
   60    HA   TYR   9           HA       TYR   9  -4.410  -4.088   0.764
   61    HB2  TYR   9           HB2      TYR   9  -3.842  -2.430   2.441
   62    HB3  TYR   9           HB1      TYR   9  -4.995  -3.120   3.567
   63    HD1  TYR   9           HD1      TYR   9  -1.733  -3.557   1.974
   64    HD2  TYR   9           HD2      TYR   9  -4.428  -5.024   4.900
   65    HE1  TYR   9           HE1      TYR   9   0.053  -4.901   2.929
   66    HE2  TYR   9           HE2      TYR   9  -2.675  -6.388   5.877
   67    HH   TYR   9           HH       TYR   9   0.662  -5.994   4.956
   68    H    GLU  10           H        GLU  10  -6.943  -4.494   3.208
   69    HA   GLU  10           HA       GLU  10  -6.469  -7.203   3.717
   70    HB2  GLU  10           HB2      GLU  10  -9.053  -5.693   4.025
   71    HB3  GLU  10           HB1      GLU  10  -8.643  -7.249   4.750
   72    HG2  GLU  10           HG2      GLU  10  -6.881  -6.196   6.028
   73    HG3  GLU  10           HG1      GLU  10  -7.290  -4.636   5.312
   74    H    VAL  11           H        VAL  11  -8.822  -5.647   1.517
   75    HA   VAL  11           HA       VAL  11 -10.039  -8.019   0.624
   76    HB   VAL  11           HB       VAL  11  -9.664  -5.444  -0.959
   77   HG11  VAL  11          HG11      VAL  11 -11.610  -6.178  -2.261
   78   HG12  VAL  11          HG12      VAL  11 -11.633  -7.696  -1.365
   79   HG13  VAL  11          3HG1      VAL  11 -10.268  -7.312  -2.412
   80   HG21  VAL  11          HG21      VAL  11 -11.947  -6.366   0.780
   81   HG22  VAL  11          HG22      VAL  11 -11.951  -4.924  -0.231
   82   HG23  VAL  11          HG23      VAL  11 -10.829  -5.045   1.126
   83    H    CYS  12           H        CYS  12  -7.250  -6.284  -0.596
   84    HA   CYS  12           HA       CYS  12  -6.631  -7.773  -2.851
   85    HB2  CYS  12           HB2      CYS  12  -5.529  -5.675  -2.325
   86    HB3  CYS  12           HB1      CYS  12  -4.810  -6.375  -0.885
   87    H    ARG  13           H        ARG  13  -5.605  -8.304   0.524
   88    HA   ARG  13           HA       ARG  13  -4.101 -10.614  -0.236
   89    HB2  ARG  13           HB2      ARG  13  -3.539 -10.870   2.102
   90    HB3  ARG  13           HB1      ARG  13  -3.354  -9.189   1.643
   91    HG2  ARG  13           HG2      ARG  13  -5.584  -8.754   2.675
   92    HG3  ARG  13           HG1      ARG  13  -5.574 -10.414   3.262
   93    HD2  ARG  13           HD2      ARG  13  -3.554  -8.271   3.932
   94    HD3  ARG  13           HD1      ARG  13  -4.819  -8.872   4.995
   95    HE   ARG  13           HE       ARG  13  -3.069 -10.938   4.074
   96   HH11  ARG  13          HH11      ARG  13  -3.470  -8.414   6.521
   97   HH12  ARG  13          HH12      ARG  13  -2.388  -9.101   7.634
   98   HH21  ARG  13          HH21      ARG  13  -1.546 -11.892   5.620
   99   HH22  ARG  13          HH22      ARG  13  -1.280 -11.115   7.107
  100    H    LEU  14           H        LEU  14  -7.289 -10.017   1.071
  101    HA   LEU  14           HA       LEU  14  -7.982 -12.569   1.931
  102    HB2  LEU  14           HB2      LEU  14  -9.355 -10.580   2.344
  103    HB3  LEU  14           HB1      LEU  14  -9.723 -10.471   0.638
  104    HG   LEU  14           HG       LEU  14 -10.930 -12.622   0.775
  105   HD11  LEU  14          HD11      LEU  14 -11.501 -13.538   2.965
  106   HD12  LEU  14          HD12      LEU  14 -10.388 -12.401   3.728
  107   HD13  LEU  14          HD13      LEU  14  -9.774 -13.640   2.633
  108   HD21  LEU  14          HD21      LEU  14 -12.870 -11.767   1.999
  109   HD22  LEU  14          HD22      LEU  14 -12.146 -10.521   0.983
  110   HD23  LEU  14          HD23      LEU  14 -11.861 -10.518   2.724
  111    H    ARG  15           H        ARG  15  -8.151 -11.112  -1.249
  112    HA   ARG  15           HA       ARG  15  -9.427 -13.209  -2.592
  113    HB2  ARG  15           HB2      ARG  15  -7.474 -11.159  -3.620
  114    HB3  ARG  15           HB1      ARG  15  -8.383 -12.249  -4.661
  115    HG2  ARG  15           HG2      ARG  15 -10.465 -11.300  -3.881
  116    HG3  ARG  15           HG1      ARG  15  -9.591 -10.260  -2.756
  117    HD2  ARG  15           HD2      ARG  15  -8.490  -9.163  -4.632
  118    HD3  ARG  15           HD1      ARG  15  -9.365 -10.204  -5.761
  119    HE   ARG  15           HE       ARG  15 -11.339  -9.119  -4.358
  120   HH11  ARG  15          HH11      ARG  15  -8.554  -7.595  -5.957
  121   HH12  ARG  15          HH12      ARG  15  -9.377  -6.128  -6.264
  122   HH21  ARG  15          HH21      ARG  15 -12.448  -7.082  -4.797
  123   HH22  ARG  15          HH22      ARG  15 -11.640  -5.832  -5.578
  124    H    CYS  16           H        CYS  16  -6.052 -12.741  -1.770
  125    HA   CYS  16           HA       CYS  16  -5.126 -14.998  -3.236
  126    HB2  CYS  16           HB2      CYS  16  -3.937 -13.511  -0.904
  127    HB3  CYS  16           HB1      CYS  16  -3.125 -14.805  -1.771
  128    H    GLN  17           H        GLN  17  -6.041 -14.371   0.112
  129    HA   GLN  17           HA       GLN  17  -5.345 -16.816   1.245
  130    HB2  GLN  17           HB2      GLN  17  -7.593 -14.962   2.015
  131    HB3  GLN  17           HB1      GLN  17  -6.953 -16.251   3.020
  132    HG2  GLN  17           HG2      GLN  17  -4.798 -15.134   3.108
  133    HG3  GLN  17           HG1      GLN  17  -5.407 -13.858   2.056
  134   HE21  GLN  17          1HE2      GLN  17  -5.476 -15.222   5.211
  135   HE22  GLN  17          2HE2      GLN  17  -6.265 -13.899   5.988
  136    H    VAL  18           H        VAL  18  -8.315 -15.848  -0.341
  137    HA   VAL  18           HA       VAL  18  -9.512 -18.385   0.233
  138    HB   VAL  18           HB       VAL  18 -10.876 -16.345   0.233
  139   HG11  VAL  18          HG11      VAL  18  -9.849 -15.120  -1.481
  140   HG12  VAL  18          HG12      VAL  18 -11.566 -15.324  -1.893
  141   HG13  VAL  18          3HG1      VAL  18 -10.321 -16.314  -2.682
  142   HG21  VAL  18          HG21      VAL  18 -11.744 -18.346  -1.845
  143   HG22  VAL  18          HG22      VAL  18 -12.804 -17.196  -1.031
  144   HG23  VAL  18          HG23      VAL  18 -12.005 -18.469  -0.106
  145    H    ALA  19           H        ALA  19  -7.800 -17.004  -2.505
  146    HA   ALA  19           HA       ALA  19  -8.701 -19.125  -4.270
  147    HB1  ALA  19           HB1      ALA  19  -8.381 -16.862  -5.153
  148    HB2  ALA  19           HB2      ALA  19  -7.391 -18.054  -5.995
  149    HB3  ALA  19           HB3      ALA  19  -6.656 -16.980  -4.802
  150    H    GLU  20           H        GLU  20  -5.831 -18.350  -2.427
  151    HA   GLU  20           HA       GLU  20  -4.722 -20.951  -3.167
  152    HB2  GLU  20           HB2      GLU  20  -3.199 -18.380  -2.679
  153    HB3  GLU  20           HB1      GLU  20  -2.468 -19.957  -2.911
  154    HG2  GLU  20           HG2      GLU  20  -3.414 -20.023  -5.185
  155    HG3  GLU  20           HG1      GLU  20  -4.058 -18.401  -4.936
  156    H    ARG  21           H        ARG  21  -4.794 -22.162  -1.400
  157    HA   ARG  21           HA       ARG  21  -5.005 -20.879   1.178
  158    HB2  ARG  21           HB2      ARG  21  -5.216 -23.778   0.385
  159    HB3  ARG  21           HB1      ARG  21  -5.431 -23.184   2.027
  160    HG2  ARG  21           HG2      ARG  21  -7.325 -21.835   1.302
  161    HG3  ARG  21           HG1      ARG  21  -7.101 -22.402  -0.352
  162    HD2  ARG  21           HD2      ARG  21  -8.887 -23.628   0.731
  163    HD3  ARG  21           HD1      ARG  21  -7.526 -24.691   0.383
  164    HE   ARG  21           HE       ARG  21  -6.961 -24.120   2.871
  165   HH11  ARG  21          HH11      ARG  21 -10.178 -24.764   1.528
  166   HH12  ARG  21          HH12      ARG  21 -10.784 -25.456   2.949
  167   HH21  ARG  21          HH21      ARG  21  -7.803 -25.086   4.820
  168   HH22  ARG  21          HH22      ARG  21  -9.402 -25.666   4.861
  169    H    GLY  22           H        GLY  22  -2.496 -21.335  -0.551
  170    HA2  GLY  22           HA2      GLY  22  -0.756 -22.686   1.315
  171    HA3  GLY  22           HA1      GLY  22  -0.258 -21.842  -0.152
  172    H    VAL  23           H        VAL  23   0.539 -21.753   2.747
  173    HA   VAL  23           HA       VAL  23  -0.281 -19.213   3.732
  174    HB   VAL  23           HB       VAL  23   2.052 -20.915   4.656
  175   HG11  VAL  23          HG11      VAL  23   2.146 -18.625   5.491
  176   HG12  VAL  23          HG12      VAL  23   1.778 -19.755   6.792
  177   HG13  VAL  23          3HG1      VAL  23   0.496 -18.767   6.095
  178   HG21  VAL  23          HG21      VAL  23   0.511 -21.807   6.345
  179   HG22  VAL  23          HG22      VAL  23  -0.017 -22.197   4.707
  180   HG23  VAL  23          HG23      VAL  23  -0.810 -20.904   5.605
  181    H    GLU  24           H        GLU  24   2.585 -20.450   2.118
  182    HA   GLU  24           HA       GLU  24   4.196 -18.155   2.334
  183    HB2  GLU  24           HB2      GLU  24   4.169 -20.303   0.221
  184    HB3  GLU  24           HB1      GLU  24   5.433 -19.099   0.404
  185    HG2  GLU  24           HG2      GLU  24   4.672 -21.123   2.489
  186    HG3  GLU  24           HG1      GLU  24   6.022 -21.285   1.369
  187    H    GLN  25           H        GLN  25   1.791 -19.117  -0.001
  188    HA   GLN  25           HA       GLN  25   2.314 -17.050  -1.872
  189    HB2  GLN  25           HB2      GLN  25  -0.166 -18.705  -1.418
  190    HB3  GLN  25           HB1      GLN  25  -0.038 -17.525  -2.704
  191    HG2  GLN  25           HG2      GLN  25   0.391 -19.587  -3.708
  192    HG3  GLN  25           HG1      GLN  25   1.962 -18.833  -3.520
  193   HE21  GLN  25          1HE2      GLN  25   3.461 -19.767  -2.168
  194   HE22  GLN  25          2HE2      GLN  25   3.248 -21.325  -1.469
  195    H    GLN  26           H        GLN  26   0.127 -17.350   0.837
  196    HA   GLN  26           HA       GLN  26  -1.069 -14.805   0.496
  197    HB2  GLN  26           HB2      GLN  26  -0.863 -16.622   2.887
  198    HB3  GLN  26           HB1      GLN  26  -1.842 -15.161   2.848
  199    HG2  GLN  26           HG2      GLN  26  -3.194 -16.057   1.074
  200    HG3  GLN  26           HG1      GLN  26  -2.160 -17.479   0.964
  201   HE21  GLN  26          1HE2      GLN  26  -3.914 -18.801   1.333
  202   HE22  GLN  26          2HE2      GLN  26  -4.594 -18.984   2.919
  203    H    ARG  27           H        ARG  27   1.731 -15.976   2.227
  204    HA   ARG  27           HA       ARG  27   2.372 -13.594   3.555
  205    HB2  ARG  27           HB2      ARG  27   4.118 -15.885   2.652
  206    HB3  ARG  27           HB1      ARG  27   4.739 -14.521   3.574
  207    HG2  ARG  27           HG2      ARG  27   3.207 -15.035   5.396
  208    HG3  ARG  27           HG1      ARG  27   2.538 -16.363   4.460
  209    HD2  ARG  27           HD2      ARG  27   4.596 -17.575   4.573
  210    HD3  ARG  27           HD1      ARG  27   5.431 -16.190   5.281
  211    HE   ARG  27           HE       ARG  27   3.532 -16.546   7.045
  212   HH11  ARG  27          HH11      ARG  27   5.473 -19.129   5.539
  213   HH12  ARG  27          HH12      ARG  27   5.554 -20.038   6.973
  214   HH21  ARG  27          HH21      ARG  27   3.680 -17.826   8.948
  215   HH22  ARG  27          HH22      ARG  27   4.512 -19.306   8.946
  216    H    LYS  28           H        LYS  28   3.157 -14.728   0.318
  217    HA   LYS  28           HA       LYS  28   4.707 -12.448  -0.321
  218    HB2  LYS  28           HB2      LYS  28   3.221 -14.352  -2.130
  219    HB3  LYS  28           HB1      LYS  28   4.243 -13.049  -2.718
  220    HG2  LYS  28           HG2      LYS  28   6.144 -14.063  -1.498
  221    HG3  LYS  28           HG1      LYS  28   5.094 -15.419  -1.077
  222    HD2  LYS  28           HD2      LYS  28   4.761 -15.915  -3.432
  223    HD3  LYS  28           HD1      LYS  28   5.742 -14.520  -3.881
  224    HE2  LYS  28           HE2      LYS  28   7.663 -15.529  -2.723
  225    HE3  LYS  28           HE1      LYS  28   6.675 -16.940  -2.351
  226    HZ1  LYS  28           HZ1      LYS  28   7.321 -15.983  -5.080
  227    HZ2  LYS  28           HZ2      LYS  28   6.454 -17.377  -4.705
  228    HZ3  LYS  28           HZ3      LYS  28   8.081 -17.260  -4.304
  229    H    CYS  29           H        CYS  29   1.292 -13.224  -0.772
  230    HA   CYS  29           HA       CYS  29   0.588 -10.893  -2.091
  231    HB2  CYS  29           HB2      CYS  29  -1.012 -12.721  -0.359
  232    HB3  CYS  29           HB1      CYS  29  -1.733 -11.306  -1.112
  233    H    GLU  30           H        GLU  30   0.664 -11.415   1.461
  234    HA   GLU  30           HA       GLU  30  -0.376  -8.871   1.976
  235    HB2  GLU  30           HB2      GLU  30   0.565  -9.120   4.281
  236    HB3  GLU  30           HB1      GLU  30  -0.425 -10.472   3.767
  237    HG2  GLU  30           HG2      GLU  30   1.643 -11.709   3.240
  238    HG3  GLU  30           HG1      GLU  30   2.573 -10.368   3.898
  239    H    GLN  31           H        GLN  31   2.826  -9.894   1.156
  240    HA   GLN  31           HA       GLN  31   4.059  -7.388   1.764
  241    HB2  GLN  31           HB2      GLN  31   5.422  -9.446   1.507
  242    HB3  GLN  31           HB1      GLN  31   4.964  -9.525  -0.190
  243    HG2  GLN  31           HG2      GLN  31   6.032  -7.293  -0.517
  244    HG3  GLN  31           HG1      GLN  31   6.614  -7.383   1.140
  245   HE21  GLN  31          1HE2      GLN  31   8.085  -7.201  -1.341
  246   HE22  GLN  31          2HE2      GLN  31   9.149  -8.553  -1.374
  247    H    VAL  32           H        VAL  32   2.969  -8.934  -1.242
  248    HA   VAL  32           HA       VAL  32   3.545  -6.881  -3.038
  249    HB   VAL  32           HB       VAL  32   1.272  -8.888  -3.190
  250   HG11  VAL  32          HG11      VAL  32   2.522  -7.245  -5.393
  251   HG12  VAL  32          HG12      VAL  32   0.912  -7.013  -4.721
  252   HG13  VAL  32          3HG1      VAL  32   1.291  -8.492  -5.604
  253   HG21  VAL  32          HG21      VAL  32   2.793 -10.159  -4.618
  254   HG22  VAL  32          HG22      VAL  32   3.457  -9.933  -2.998
  255   HG23  VAL  32          HG23      VAL  32   4.051  -8.955  -4.341
  256    H    CYS  33           H        CYS  33   0.543  -7.468  -1.261
  257    HA   CYS  33           HA       CYS  33  -0.816  -5.266  -2.336
  258    HB2  CYS  33           HB2      CYS  33  -1.283  -6.624   0.331
  259    HB3  CYS  33           HB1      CYS  33  -2.423  -5.574  -0.498
  260    H    GLU  34           H        GLU  34   1.368  -5.612   0.395
  261    HA   GLU  34           HA       GLU  34   0.810  -3.059   1.511
  262    HB2  GLU  34           HB2      GLU  34   1.893  -5.122   2.687
  263    HB3  GLU  34           HB1      GLU  34   3.344  -4.600   1.881
  264    HG2  GLU  34           HG2      GLU  34   3.360  -2.513   3.007
  265    HG3  GLU  34           HG1      GLU  34   1.778  -2.832   3.720
  266    H    GLU  35           H        GLU  35   2.954  -4.303  -0.931
  267    HA   GLU  35           HA       GLU  35   4.705  -2.121  -1.070
  268    HB2  GLU  35           HB2      GLU  35   3.889  -4.020  -3.274
  269    HB3  GLU  35           HB1      GLU  35   5.259  -2.920  -3.356
  270    HG2  GLU  35           HG2      GLU  35   6.192  -4.054  -1.355
  271    HG3  GLU  35           HG1      GLU  35   4.885  -5.221  -1.470
  272    H    ARG  36           H        ARG  36   1.601  -2.703  -2.564
  273    HA   ARG  36           HA       ARG  36   1.511  -0.328  -4.122
  274    HB2  ARG  36           HB2      ARG  36  -0.128  -2.077  -4.522
  275    HB3  ARG  36           HB1      ARG  36  -0.705  -1.956  -2.866
  276    HG2  ARG  36           HG2      ARG  36  -1.531   0.293  -3.295
  277    HG3  ARG  36           HG1      ARG  36  -0.935   0.203  -4.950
  278    HD2  ARG  36           HD2      ARG  36  -3.341  -0.221  -4.772
  279    HD3  ARG  36           HD1      ARG  36  -2.459  -1.590  -5.440
  280    HE   ARG  36           HE       ARG  36  -2.544  -2.393  -3.004
  281   HH11  ARG  36          HH11      ARG  36  -5.120  -0.556  -4.547
  282   HH12  ARG  36          HH12      ARG  36  -6.398  -1.452  -3.891
  283   HH21  ARG  36          HH21      ARG  36  -4.300  -3.668  -2.071
  284   HH22  ARG  36          HH22      ARG  36  -5.921  -3.295  -2.457
  285    H    LEU  37           H        LEU  37   0.462  -1.136  -0.891
  286    HA   LEU  37           HA       LEU  37  -0.563   1.357  -0.149
  287    HB2  LEU  37           HB2      LEU  37   0.397  -1.048   1.311
  288    HB3  LEU  37           HB1      LEU  37   0.163   0.407   2.241
  289    HG   LEU  37           HG       LEU  37  -1.766  -1.152   2.338
  290   HD11  LEU  37          HD11      LEU  37  -3.477   0.512   1.936
  291   HD12  LEU  37          HD12      LEU  37  -2.326   1.487   1.023
  292   HD13  LEU  37          HD13      LEU  37  -2.073   1.200   2.747
  293   HD21  LEU  37          HD21      LEU  37  -1.698  -2.044   0.058
  294   HD22  LEU  37          HD22      LEU  37  -2.129  -0.459  -0.579
  295   HD23  LEU  37          HD23      LEU  37  -3.277  -1.347   0.422
  296    H    ARG  38           H        ARG  38   2.669   0.089  -0.118
  297    HA   ARG  38           HA       ARG  38   3.871   2.165   1.348
  298    HB2  ARG  38           HB2      ARG  38   4.887  -0.072   0.945
  299    HB3  ARG  38           HB1      ARG  38   5.150   0.389  -0.729
  300    HG2  ARG  38           HG2      ARG  38   6.620   2.198  -0.007
  301    HG3  ARG  38           HG1      ARG  38   6.350   1.745   1.676
  302    HD2  ARG  38           HD2      ARG  38   7.257  -0.508   1.143
  303    HD3  ARG  38           HD1      ARG  38   7.641   0.090  -0.470
  304    HE   ARG  38           HE       ARG  38   8.754   1.835   1.361
  305   HH11  ARG  38          HH11      ARG  38   9.203  -1.482   0.267
  306   HH12  ARG  38          HH12      ARG  38  10.817  -1.613   0.768
  307   HH21  ARG  38          HH21      ARG  38  10.987   1.702   2.062
  308   HH22  ARG  38          HH22      ARG  38  11.864   0.265   1.787
  309    H    GLU  39           H        GLU  39   3.111   1.792  -2.087
  310    HA   GLU  39           HA       GLU  39   4.613   4.062  -2.913
  311    HB2  GLU  39           HB2      GLU  39   2.215   2.769  -4.231
  312    HB3  GLU  39           HB1      GLU  39   3.231   3.991  -4.977
  313    HG2  GLU  39           HG2      GLU  39   4.047   1.219  -4.159
  314    HG3  GLU  39           HG1      GLU  39   3.825   1.821  -5.799
  315    H    ARG  40           H        ARG  40   1.377   3.548  -1.762
  316    HA   ARG  40           HA       ARG  40   0.472   6.212  -2.103
  317    HB2  ARG  40           HB2      ARG  40  -0.410   4.084  -0.126
  318    HB3  ARG  40           HB1      ARG  40  -1.256   5.607  -0.370
  319    HG2  ARG  40           HG2      ARG  40  -1.740   5.006  -2.666
  320    HG3  ARG  40           HG1      ARG  40  -0.803   3.525  -2.503
  321    HD2  ARG  40           HD2      ARG  40  -3.165   3.030  -2.357
  322    HD3  ARG  40           HD1      ARG  40  -2.402   2.733  -0.802
  323    HE   ARG  40           HE       ARG  40  -3.313   5.169  -0.391
  324   HH11  ARG  40          HH11      ARG  40  -4.999   2.542  -2.105
  325   HH12  ARG  40          HH12      ARG  40  -6.540   2.993  -1.557
  326   HH21  ARG  40          HH21      ARG  40  -5.477   5.745   0.382
  327   HH22  ARG  40          HH22      ARG  40  -6.839   4.848  -0.102
  328    H    GLU  41           H        GLU  41   2.064   4.510   0.538
  329    HA   GLU  41           HA       GLU  41   2.235   6.690   2.336
  330    HB2  GLU  41           HB2      GLU  41   3.852   4.177   2.074
  331    HB3  GLU  41           HB1      GLU  41   4.050   5.333   3.380
  332    HG2  GLU  41           HG2      GLU  41   1.543   3.801   2.749
  333    HG3  GLU  41           HG1      GLU  41   2.684   3.444   4.048
  334    H    GLN  42           H        GLN  42   3.930   6.013  -0.520
  335    HA   GLN  42           HA       GLN  42   6.338   7.465   0.172
  336    HB2  GLN  42           HB2      GLN  42   6.317   5.460  -1.350
  337    HB3  GLN  42           HB1      GLN  42   5.379   6.388  -2.501
  338    HG2  GLN  42           HG2      GLN  42   7.660   6.327  -3.226
  339    HG3  GLN  42           HG1      GLN  42   7.279   7.963  -2.708
  340   HE21  GLN  42          1HE2      GLN  42   9.423   8.449  -2.381
  341   HE22  GLN  42          2HE2      GLN  42  10.330   7.836  -1.054
  342    H    GLY  43           H        GLY  43   3.225   8.121  -0.830
  343    HA2  GLY  43           HA2      GLY  43   3.992  10.846  -1.616
  344    HA3  GLY  43           HA1      GLY  43   2.663   9.987  -2.398
  345    H    ARG  44           H        ARG  44   3.443   9.689   0.964
  346    HA   ARG  44           HA       ARG  44   2.338  10.054   2.864
  347    HB2  ARG  44           HB2      ARG  44   1.569  12.495   1.335
  348    HB3  ARG  44           HB1      ARG  44   0.707  12.171   2.827
  349    HG2  ARG  44           HG2      ARG  44   2.601  13.758   3.093
  350    HG3  ARG  44           HG1      ARG  44   2.742  12.328   4.104
  351    HD2  ARG  44           HD2      ARG  44   4.900  12.956   3.113
  352    HD3  ARG  44           HD1      ARG  44   4.367  11.378   2.549
  353    HE   ARG  44           HE       ARG  44   3.608  13.520   0.831
  354   HH11  ARG  44          HH11      ARG  44   6.306  11.345   1.659
  355   HH12  ARG  44          HH12      ARG  44   6.988  11.373   0.101
  356   HH21  ARG  44          HH21      ARG  44   4.585  13.525  -1.350
  357   HH22  ARG  44          HH22      ARG  44   5.988  12.621  -1.643
  358    H    GLY  45           H        GLY  45   1.223   8.300   3.071
  359    HA2  GLY  45           HA2      GLY  45  -1.254   7.902   1.612
  360    HA3  GLY  45           HA1      GLY  45  -0.431   6.730   2.634
  361    H    GLU  46           H        GLU  46  -0.378   9.361   4.408
  362    HA   GLU  46           HA       GLU  46  -2.681   8.610   5.984
  363    HB2  GLU  46           HB2      GLU  46  -0.384   9.260   6.897
  364    HB3  GLU  46           HB1      GLU  46  -0.766  10.912   6.442
  365    HG2  GLU  46           HG2      GLU  46  -2.766  10.773   7.918
  366    HG3  GLU  46           HG1      GLU  46  -2.192   9.200   8.463
  367    H    ASP  47           H        ASP  47  -2.685   9.992   3.267
  368    HA   ASP  47           HA       ASP  47  -3.711  12.604   3.382
  369    HB2  ASP  47           HB2      ASP  47  -2.886  11.553   1.313
  370    HB3  ASP  47           HB1      ASP  47  -4.261  10.454   1.329
  371    H    VAL  48           H        VAL  48  -5.230   9.501   3.714
  372    HA   VAL  48           HA       VAL  48  -7.873  10.401   3.447
  373    HB   VAL  48           HB       VAL  48  -8.516   8.197   4.524
  374   HG11  VAL  48          HG11      VAL  48  -7.765   6.865   2.589
  375   HG12  VAL  48          HG12      VAL  48  -6.637   8.156   2.163
  376   HG13  VAL  48          3HG1      VAL  48  -8.373   8.450   2.122
  377   HG21  VAL  48          HG21      VAL  48  -6.745   6.500   4.777
  378   HG22  VAL  48          HG22      VAL  48  -6.504   7.846   5.892
  379   HG23  VAL  48          HG23      VAL  48  -5.523   7.725   4.433
  380    H    ASP  49           H        ASP  49  -8.570  11.938   4.665
  381    HA   ASP  49           HA       ASP  49  -8.165  11.877   7.557
  382    HB2  ASP  49           HB2      ASP  49  -7.807  14.053   6.484
  383    HB3  ASP  49           HB1      ASP  49  -9.423  13.994   5.785
  Start of MODEL    9
    1    H    PCA   1           H        PGL   1 -14.889  -2.989  -3.329
    2    HA   PCA   1           HA       PGL   1 -12.937  -4.240  -2.381
    3    HB2  PCA   1           HB1      PGL   1 -12.090  -5.598  -4.013
    4    HB3  PCA   1           HB2      PGL   1 -11.175  -4.181  -4.601
    5    HG2  PCA   1           HG1      PGL   1 -13.479  -5.482  -5.827
    6    HG3  PCA   1           HG2      PGL   1 -12.510  -4.095  -6.437
    7    H    ARG   2           H        ARG   2 -13.374  -1.344  -3.941
    8    HA   ARG   2           HA       ARG   2 -10.768  -0.317  -3.140
    9    HB2  ARG   2           HB2      ARG   2 -11.203  -0.014  -5.509
   10    HB3  ARG   2           HB1      ARG   2 -12.760   0.704  -5.173
   11    HG2  ARG   2           HG2      ARG   2 -11.784   2.691  -4.351
   12    HG3  ARG   2           HG1      ARG   2 -10.190   1.944  -4.254
   13    HD2  ARG   2           HD2      ARG   2 -11.696   2.352  -6.822
   14    HD3  ARG   2           HD1      ARG   2 -10.505   3.495  -6.195
   15    HE   ARG   2           HE       ARG   2  -9.095   1.269  -6.179
   16   HH11  ARG   2          HH11      ARG   2 -11.239   2.457  -8.719
   17   HH12  ARG   2          HH12      ARG   2 -10.295   1.839  -9.993
   18   HH21  ARG   2          HH21      ARG   2  -7.781   0.434  -7.962
   19   HH22  ARG   2          HH22      ARG   2  -8.312   0.693  -9.560
   20    H    GLY   3           H        GLY   3 -10.658   1.662  -2.035
   21    HA2  GLY   3           HA2      GLY   3 -12.598   3.313  -1.169
   22    HA3  GLY   3           HA1      GLY   3 -12.696   1.947  -0.054
   23    H    SER   4           H        SER   4 -11.558   2.202   1.704
   24    HA   SER   4           HA       SER   4  -9.442   4.111   1.841
   25    HB2  SER   4           HB2      SER   4 -10.363   2.019   3.832
   26    HB3  SER   4           HB1      SER   4  -9.316   3.398   4.194
   27    HG   SER   4           HG       SER   4 -11.730   3.943   2.940
   28    HA   PRO   5           HA       PRO   5  -6.225   1.701   0.139
   29    HB2  PRO   5           HB2      PRO   5  -4.150   2.450   1.885
   30    HB3  PRO   5           HB1      PRO   5  -4.605   3.251   0.381
   31    HG2  PRO   5           HG2      PRO   5  -5.298   3.943   3.185
   32    HG3  PRO   5           HG1      PRO   5  -5.047   5.005   1.793
   33    HD2  PRO   5           HD2      PRO   5  -7.493   4.475   2.762
   34    HD3  PRO   5           HD1      PRO   5  -7.209   4.722   1.029
   35    H    ARG   6           H        ARG   6  -6.148   1.527   3.718
   36    HA   ARG   6           HA       ARG   6  -4.756  -0.957   3.628
   37    HB2  ARG   6           HB2      ARG   6  -4.519   0.547   5.577
   38    HB3  ARG   6           HB1      ARG   6  -6.203   0.267   5.998
   39    HG2  ARG   6           HG2      ARG   6  -5.727  -2.086   6.403
   40    HG3  ARG   6           HG1      ARG   6  -4.051  -1.845   5.921
   41    HD2  ARG   6           HD2      ARG   6  -3.762  -0.272   7.790
   42    HD3  ARG   6           HD1      ARG   6  -5.430  -0.560   8.280
   43    HE   ARG   6           HE       ARG   6  -4.241  -3.029   8.139
   44   HH11  ARG   6          HH11      ARG   6  -3.794  -0.120  10.092
   45   HH12  ARG   6          HH12      ARG   6  -3.055  -0.938  11.394
   46   HH21  ARG   6          HH21      ARG   6  -3.252  -4.128   9.883
   47   HH22  ARG   6          HH22      ARG   6  -2.703  -3.283  11.263
   48    H    ALA   7           H        ALA   7  -8.101  -0.065   3.675
   49    HA   ALA   7           HA       ALA   7  -9.114  -2.625   4.314
   50    HB1  ALA   7           HB1      ALA   7 -10.531  -0.615   4.402
   51    HB2  ALA   7           HB2      ALA   7 -11.230  -1.829   3.330
   52    HB3  ALA   7           HB3      ALA   7 -10.387  -0.435   2.656
   53    H    GLU   8           H        GLU   8  -8.200  -1.038   1.314
   54    HA   GLU   8           HA       GLU   8  -8.960  -3.079  -0.517
   55    HB2  GLU   8           HB2      GLU   8  -6.609  -1.212  -0.801
   56    HB3  GLU   8           HB1      GLU   8  -7.512  -1.989  -2.089
   57    HG2  GLU   8           HG2      GLU   8  -9.456  -0.637  -1.544
   58    HG3  GLU   8           HG1      GLU   8  -8.554   0.134  -0.239
   59    H    TYR   9           H        TYR   9  -6.082  -2.359   1.283
   60    HA   TYR   9           HA       TYR   9  -4.320  -4.319   0.407
   61    HB2  TYR   9           HB2      TYR   9  -3.609  -2.491   1.823
   62    HB3  TYR   9           HB1      TYR   9  -4.691  -3.017   3.097
   63    HD1  TYR   9           HD1      TYR   9  -4.027  -4.595   4.678
   64    HD2  TYR   9           HD2      TYR   9  -1.599  -3.884   1.274
   65    HE1  TYR   9           HE1      TYR   9  -2.258  -5.886   5.704
   66    HE2  TYR   9           HE2      TYR   9   0.208  -5.181   2.292
   67    HH   TYR   9           HH       TYR   9  -0.265  -7.103   5.084
   68    H    GLU  10           H        GLU  10  -6.636  -4.402   3.102
   69    HA   GLU  10           HA       GLU  10  -6.154  -7.061   3.836
   70    HB2  GLU  10           HB2      GLU  10  -8.619  -5.358   4.206
   71    HB3  GLU  10           HB1      GLU  10  -8.343  -6.919   4.979
   72    HG2  GLU  10           HG2      GLU  10  -6.565  -4.522   5.342
   73    HG3  GLU  10           HG1      GLU  10  -7.894  -4.941   6.418
   74    H    VAL  11           H        VAL  11  -8.505  -5.632   1.584
   75    HA   VAL  11           HA       VAL  11  -9.890  -7.938   0.843
   76    HB   VAL  11           HB       VAL  11  -9.157  -5.577  -0.941
   77   HG11  VAL  11          HG11      VAL  11  -9.785  -7.516  -2.301
   78   HG12  VAL  11          HG12      VAL  11 -11.029  -6.268  -2.366
   79   HG13  VAL  11          3HG1      VAL  11 -11.270  -7.699  -1.365
   80   HG21  VAL  11          HG21      VAL  11 -11.669  -6.177   0.608
   81   HG22  VAL  11          HG22      VAL  11 -11.433  -4.806  -0.476
   82   HG23  VAL  11          HG23      VAL  11 -10.476  -4.940   1.000
   83    H    CYS  12           H        CYS  12  -6.850  -6.689  -0.361
   84    HA   CYS  12           HA       CYS  12  -6.289  -8.503  -2.403
   85    HB2  CYS  12           HB2      CYS  12  -4.909  -6.576  -2.143
   86    HB3  CYS  12           HB1      CYS  12  -4.495  -7.011  -0.492
   87    H    ARG  13           H        ARG  13  -5.706  -8.758   1.051
   88    HA   ARG  13           HA       ARG  13  -4.260 -11.234   0.995
   89    HB2  ARG  13           HB2      ARG  13  -5.877 -10.119   3.299
   90    HB3  ARG  13           HB1      ARG  13  -4.452 -11.144   3.392
   91    HG2  ARG  13           HG2      ARG  13  -3.054  -9.344   2.594
   92    HG3  ARG  13           HG1      ARG  13  -4.462  -8.318   2.353
   93    HD2  ARG  13           HD2      ARG  13  -3.596  -7.565   4.366
   94    HD3  ARG  13           HD1      ARG  13  -4.873  -8.666   4.869
   95    HE   ARG  13           HE       ARG  13  -2.598 -10.177   4.750
   96   HH11  ARG  13          HH11      ARG  13  -3.802  -7.431   6.639
   97   HH12  ARG  13          HH12      ARG  13  -2.665  -7.622   7.895
   98   HH21  ARG  13          HH21      ARG  13  -1.017 -10.415   6.405
   99   HH22  ARG  13          HH22      ARG  13  -1.016  -9.404   7.770
  100    H    LEU  14           H        LEU  14  -7.579 -10.270   1.683
  101    HA   LEU  14           HA       LEU  14  -8.692 -12.780   2.168
  102    HB2  LEU  14           HB2      LEU  14 -10.011 -10.365   0.932
  103    HB3  LEU  14           HB1      LEU  14 -10.847 -11.739   1.624
  104    HG   LEU  14           HG       LEU  14  -9.101  -9.815   3.168
  105   HD11  LEU  14          HD11      LEU  14 -11.178  -8.985   4.108
  106   HD12  LEU  14          HD12      LEU  14 -12.094 -10.074   3.071
  107   HD13  LEU  14          HD13      LEU  14 -11.152  -8.765   2.359
  108   HD21  LEU  14          HD21      LEU  14 -10.909 -12.042   4.112
  109   HD22  LEU  14          HD22      LEU  14 -10.053 -10.901   5.146
  110   HD23  LEU  14          HD23      LEU  14  -9.146 -12.049   4.165
  111    H    ARG  15           H        ARG  15  -8.182 -11.053  -0.873
  112    HA   ARG  15           HA       ARG  15  -9.529 -12.695  -2.682
  113    HB2  ARG  15           HB2      ARG  15  -6.910 -11.226  -3.007
  114    HB3  ARG  15           HB1      ARG  15  -7.697 -12.070  -4.324
  115    HG2  ARG  15           HG2      ARG  15  -8.898  -9.787  -2.783
  116    HG3  ARG  15           HG1      ARG  15  -8.070  -9.629  -4.328
  117    HD2  ARG  15           HD2      ARG  15  -9.714 -11.189  -5.309
  118    HD3  ARG  15           HD1      ARG  15 -10.599 -11.197  -3.788
  119    HE   ARG  15           HE       ARG  15 -10.085  -8.701  -5.233
  120   HH11  ARG  15          HH11      ARG  15 -12.419 -10.910  -3.749
  121   HH12  ARG  15          HH12      ARG  15 -13.782  -9.988  -4.185
  122   HH21  ARG  15          HH21      ARG  15 -11.888  -7.447  -5.798
  123   HH22  ARG  15          HH22      ARG  15 -13.476  -7.940  -5.393
  124    H    CYS  16           H        CYS  16  -6.230 -12.954  -1.506
  125    HA   CYS  16           HA       CYS  16  -5.636 -15.316  -2.917
  126    HB2  CYS  16           HB2      CYS  16  -4.356 -13.986  -0.560
  127    HB3  CYS  16           HB1      CYS  16  -3.670 -15.406  -1.332
  128    H    GLN  17           H        GLN  17  -7.208 -14.752   0.081
  129    HA   GLN  17           HA       GLN  17  -6.932 -17.422   1.088
  130    HB2  GLN  17           HB2      GLN  17  -8.841 -15.195   1.778
  131    HB3  GLN  17           HB1      GLN  17  -8.723 -16.710   2.660
  132    HG2  GLN  17           HG2      GLN  17  -6.547 -16.204   3.417
  133    HG3  GLN  17           HG1      GLN  17  -6.403 -14.850   2.296
  134   HE21  GLN  17          1HE2      GLN  17  -5.962 -13.435   3.921
  135   HE22  GLN  17          2HE2      GLN  17  -7.148 -12.848   5.024
  136    H    VAL  18           H        VAL  18  -9.346 -15.608  -0.724
  137    HA   VAL  18           HA       VAL  18 -11.236 -17.759  -0.808
  138    HB   VAL  18           HB       VAL  18 -11.161 -15.226  -2.479
  139   HG11  VAL  18          HG11      VAL  18 -13.408 -17.175  -1.969
  140   HG12  VAL  18          HG12      VAL  18 -12.546 -16.962  -3.492
  141   HG13  VAL  18          3HG1      VAL  18 -13.542 -15.653  -2.849
  142   HG21  VAL  18          HG21      VAL  18 -11.310 -14.742  -0.095
  143   HG22  VAL  18          HG22      VAL  18 -12.675 -15.849   0.056
  144   HG23  VAL  18          HG23      VAL  18 -12.834 -14.378  -0.902
  145    H    ALA  19           H        ALA  19  -8.853 -16.454  -3.042
  146    HA   ALA  19           HA       ALA  19  -9.435 -18.281  -5.162
  147    HB1  ALA  19           HB1      ALA  19  -8.267 -16.169  -5.535
  148    HB2  ALA  19           HB2      ALA  19  -7.311 -17.566  -6.084
  149    HB3  ALA  19           HB3      ALA  19  -6.930 -16.777  -4.546
  150    H    GLU  20           H        GLU  20  -7.627 -18.388  -2.277
  151    HA   GLU  20           HA       GLU  20  -6.746 -19.964  -1.082
  152    HB2  GLU  20           HB2      GLU  20  -7.706 -21.839  -3.200
  153    HB3  GLU  20           HB1      GLU  20  -7.216 -22.304  -1.556
  154    HG2  GLU  20           HG2      GLU  20  -9.016 -20.883  -0.669
  155    HG3  GLU  20           HG1      GLU  20  -9.447 -20.476  -2.327
  156    H    ARG  21           H        ARG  21  -4.814 -19.197  -1.239
  157    HA   ARG  21           HA       ARG  21  -2.953 -20.499  -3.111
  158    HB2  ARG  21           HB2      ARG  21  -2.610 -17.852  -1.677
  159    HB3  ARG  21           HB1      ARG  21  -1.490 -18.568  -2.820
  160    HG2  ARG  21           HG2      ARG  21  -4.256 -17.551  -3.437
  161    HG3  ARG  21           HG1      ARG  21  -2.734 -16.759  -3.840
  162    HD2  ARG  21           HD2      ARG  21  -2.142 -18.697  -5.253
  163    HD3  ARG  21           HD1      ARG  21  -3.716 -19.412  -4.889
  164    HE   ARG  21           HE       ARG  21  -3.556 -16.761  -6.084
  165   HH11  ARG  21          HH11      ARG  21  -4.506 -20.178  -6.432
  166   HH12  ARG  21          HH12      ARG  21  -5.412 -19.916  -7.843
  167   HH21  ARG  21          HH21      ARG  21  -4.809 -16.430  -8.069
  168   HH22  ARG  21          HH22      ARG  21  -5.561 -17.763  -8.796
  169    H    GLY  22           H        GLY  22  -0.748 -20.728  -2.130
  170    HA2  GLY  22           HA2      GLY  22  -0.945 -22.171   0.302
  171    HA3  GLY  22           HA1      GLY  22   0.530 -21.824  -0.590
  172    H    VAL  23           H        VAL  23   0.746 -21.818   2.015
  173    HA   VAL  23           HA       VAL  23   0.095 -19.534   3.513
  174    HB   VAL  23           HB       VAL  23   2.498 -21.351   3.834
  175   HG11  VAL  23          HG11      VAL  23   2.715 -19.297   5.140
  176   HG12  VAL  23          HG12      VAL  23   2.472 -20.697   6.181
  177   HG13  VAL  23          3HG1      VAL  23   1.136 -19.590   5.872
  178   HG21  VAL  23          HG21      VAL  23   1.113 -22.612   5.410
  179   HG22  VAL  23          HG22      VAL  23   0.408 -22.611   3.794
  180   HG23  VAL  23          HG23      VAL  23  -0.253 -21.562   5.046
  181    H    GLU  24           H        GLU  24   2.973 -20.347   1.689
  182    HA   GLU  24           HA       GLU  24   4.523 -18.054   2.229
  183    HB2  GLU  24           HB2      GLU  24   4.504 -19.800  -0.229
  184    HB3  GLU  24           HB1      GLU  24   5.797 -18.725   0.271
  185    HG2  GLU  24           HG2      GLU  24   6.340 -20.085   2.126
  186    HG3  GLU  24           HG1      GLU  24   4.870 -21.038   1.952
  187    H    GLN  25           H        GLN  25   2.206 -18.878  -0.247
  188    HA   GLN  25           HA       GLN  25   2.591 -16.566  -1.813
  189    HB2  GLN  25           HB2      GLN  25   0.439 -18.652  -1.794
  190    HB3  GLN  25           HB1      GLN  25   0.270 -17.208  -2.779
  191    HG2  GLN  25           HG2      GLN  25   1.127 -19.083  -4.087
  192    HG3  GLN  25           HG1      GLN  25   2.299 -17.778  -3.998
  193   HE21  GLN  25          1HE2      GLN  25   1.547 -21.034  -3.047
  194   HE22  GLN  25          2HE2      GLN  25   3.123 -21.434  -2.461
  195    H    GLN  26           H        GLN  26   0.301 -17.302   0.770
  196    HA   GLN  26           HA       GLN  26  -1.265 -14.950   0.617
  197    HB2  GLN  26           HB2      GLN  26  -0.396 -16.354   3.179
  198    HB3  GLN  26           HB1      GLN  26  -1.768 -15.278   2.966
  199    HG2  GLN  26           HG2      GLN  26  -1.494 -17.984   1.710
  200    HG3  GLN  26           HG1      GLN  26  -2.409 -17.608   3.167
  201   HE21  GLN  26          1HE2      GLN  26  -3.346 -18.732   0.703
  202   HE22  GLN  26          2HE2      GLN  26  -4.548 -17.601   0.142
  203    H    ARG  27           H        ARG  27   1.817 -15.591   2.174
  204    HA   ARG  27           HA       ARG  27   2.174 -13.057   3.389
  205    HB2  ARG  27           HB2      ARG  27   4.265 -15.042   2.490
  206    HB3  ARG  27           HB1      ARG  27   4.536 -13.705   3.596
  207    HG2  ARG  27           HG2      ARG  27   3.026 -14.715   5.212
  208    HG3  ARG  27           HG1      ARG  27   2.706 -16.043   4.093
  209    HD2  ARG  27           HD2      ARG  27   5.105 -16.608   4.131
  210    HD3  ARG  27           HD1      ARG  27   5.361 -15.325   5.312
  211    HE   ARG  27           HE       ARG  27   3.362 -17.113   6.165
  212   HH11  ARG  27          HH11      ARG  27   6.880 -16.744   5.932
  213   HH12  ARG  27          HH12      ARG  27   7.232 -17.877   7.150
  214   HH21  ARG  27          HH21      ARG  27   3.861 -18.720   7.854
  215   HH22  ARG  27          HH22      ARG  27   5.483 -19.024   8.242
  216    H    LYS  28           H        LYS  28   2.912 -14.318   0.229
  217    HA   LYS  28           HA       LYS  28   4.425 -12.066  -0.650
  218    HB2  LYS  28           HB2      LYS  28   2.968 -14.193  -2.242
  219    HB3  LYS  28           HB1      LYS  28   4.090 -13.022  -2.925
  220    HG2  LYS  28           HG2      LYS  28   5.914 -13.948  -1.683
  221    HG3  LYS  28           HG1      LYS  28   4.824 -15.009  -0.792
  222    HD2  LYS  28           HD2      LYS  28   4.264 -16.150  -2.920
  223    HD3  LYS  28           HD1      LYS  28   5.428 -15.113  -3.744
  224    HE2  LYS  28           HE2      LYS  28   7.232 -15.992  -2.404
  225    HE3  LYS  28           HE1      LYS  28   6.094 -16.934  -1.445
  226    HZ1  LYS  28           HZ1      LYS  28   6.602 -17.327  -4.346
  227    HZ2  LYS  28           HZ2      LYS  28   5.593 -18.270  -3.362
  228    HZ3  LYS  28           HZ3      LYS  28   7.249 -18.251  -3.094
  229    H    CYS  29           H        CYS  29   1.071 -13.093  -0.969
  230    HA   CYS  29           HA       CYS  29  -0.030 -11.111  -2.523
  231    HB2  CYS  29           HB2      CYS  29  -1.164 -12.505  -0.106
  232    HB3  CYS  29           HB1      CYS  29  -2.152 -11.543  -1.181
  233    H    GLU  30           H        GLU  30   0.248 -11.092   1.016
  234    HA   GLU  30           HA       GLU  30  -0.715  -8.468   1.267
  235    HB2  GLU  30           HB2      GLU  30   0.232  -8.597   3.612
  236    HB3  GLU  30           HB1      GLU  30  -0.944  -9.827   3.181
  237    HG2  GLU  30           HG2      GLU  30   0.814 -11.437   2.847
  238    HG3  GLU  30           HG1      GLU  30   2.036 -10.211   3.165
  239    H    GLN  31           H        GLN  31   2.521  -9.701   0.742
  240    HA   GLN  31           HA       GLN  31   3.740  -7.214   1.449
  241    HB2  GLN  31           HB2      GLN  31   4.967  -9.354   1.625
  242    HB3  GLN  31           HB1      GLN  31   4.951  -9.487  -0.130
  243    HG2  GLN  31           HG2      GLN  31   6.288  -7.493  -0.339
  244    HG3  GLN  31           HG1      GLN  31   6.210  -7.225   1.398
  245   HE21  GLN  31          1HE2      GLN  31   7.631  -9.060  -1.146
  246   HE22  GLN  31          2HE2      GLN  31   8.868  -9.800  -0.197
  247    H    VAL  32           H        VAL  32   2.939  -8.774  -1.644
  248    HA   VAL  32           HA       VAL  32   4.002  -6.747  -3.286
  249    HB   VAL  32           HB       VAL  32   1.648  -8.588  -3.882
  250   HG11  VAL  32          HG11      VAL  32   3.399  -7.026  -5.787
  251   HG12  VAL  32          HG12      VAL  32   1.714  -6.677  -5.408
  252   HG13  VAL  32          3HG1      VAL  32   2.135  -8.169  -6.249
  253   HG21  VAL  32          HG21      VAL  32   3.283  -9.973  -5.066
  254   HG22  VAL  32          HG22      VAL  32   3.679  -9.823  -3.354
  255   HG23  VAL  32          HG23      VAL  32   4.571  -8.884  -4.553
  256    H    CYS  33           H        CYS  33   0.789  -7.155  -1.878
  257    HA   CYS  33           HA       CYS  33  -0.149  -4.729  -2.965
  258    HB2  CYS  33           HB2      CYS  33  -1.241  -6.475  -0.773
  259    HB3  CYS  33           HB1      CYS  33  -2.045  -4.999  -1.314
  260    H    GLU  34           H        GLU  34   1.586  -5.478  -0.013
  261    HA   GLU  34           HA       GLU  34   1.190  -3.034   1.304
  262    HB2  GLU  34           HB2      GLU  34   2.280  -4.979   2.374
  263    HB3  GLU  34           HB1      GLU  34   3.642  -4.804   1.280
  264    HG2  GLU  34           HG2      GLU  34   4.106  -2.599   2.232
  265    HG3  GLU  34           HG1      GLU  34   2.773  -2.818   3.358
  266    H    GLU  35           H        GLU  35   3.475  -4.093  -1.114
  267    HA   GLU  35           HA       GLU  35   5.036  -1.806  -1.313
  268    HB2  GLU  35           HB2      GLU  35   4.323  -3.907  -3.333
  269    HB3  GLU  35           HB1      GLU  35   5.482  -2.622  -3.657
  270    HG2  GLU  35           HG2      GLU  35   5.698  -4.597  -1.403
  271    HG3  GLU  35           HG1      GLU  35   6.554  -4.721  -2.941
  272    H    ARG  36           H        ARG  36   1.943  -2.546  -2.757
  273    HA   ARG  36           HA       ARG  36   1.844  -0.183  -4.407
  274    HB2  ARG  36           HB2      ARG  36   0.439  -2.249  -4.799
  275    HB3  ARG  36           HB1      ARG  36  -0.487  -1.811  -3.369
  276    HG2  ARG  36           HG2      ARG  36  -0.903   0.417  -4.506
  277    HG3  ARG  36           HG1      ARG  36  -0.286  -0.344  -5.971
  278    HD2  ARG  36           HD2      ARG  36  -2.663  -0.516  -6.007
  279    HD3  ARG  36           HD1      ARG  36  -2.010  -2.115  -5.666
  280    HE   ARG  36           HE       ARG  36  -2.814  -2.001  -3.499
  281   HH11  ARG  36          HH11      ARG  36  -3.478   1.060  -5.177
  282   HH12  ARG  36          HH12      ARG  36  -4.725   1.525  -4.115
  283   HH21  ARG  36          HH21      ARG  36  -4.557  -1.356  -2.078
  284   HH22  ARG  36          HH22      ARG  36  -5.384   0.119  -2.346
  285    H    LEU  37           H        LEU  37   0.629  -1.189  -1.285
  286    HA   LEU  37           HA       LEU  37  -0.839   1.036  -0.555
  287    HB2  LEU  37           HB2      LEU  37   0.385  -1.245   0.792
  288    HB3  LEU  37           HB1      LEU  37   0.164   0.164   1.807
  289    HG   LEU  37           HG       LEU  37  -1.677  -1.528   1.893
  290   HD11  LEU  37          HD11      LEU  37  -2.371   1.252   0.970
  291   HD12  LEU  37          HD12      LEU  37  -1.976   0.763   2.618
  292   HD13  LEU  37          HD13      LEU  37  -3.443   0.161   1.846
  293   HD21  LEU  37          HD21      LEU  37  -2.252  -0.495  -0.890
  294   HD22  LEU  37          HD22      LEU  37  -3.332  -1.505   0.059
  295   HD23  LEU  37          HD23      LEU  37  -1.765  -2.133  -0.462
  296    H    ARG  38           H        ARG  38   2.580   0.372  -0.094
  297    HA   ARG  38           HA       ARG  38   3.214   2.633   1.413
  298    HB2  ARG  38           HB2      ARG  38   4.937   1.231  -0.630
  299    HB3  ARG  38           HB1      ARG  38   5.519   2.428   0.513
  300    HG2  ARG  38           HG2      ARG  38   4.394  -0.291   1.148
  301    HG3  ARG  38           HG1      ARG  38   6.069   0.239   1.307
  302    HD2  ARG  38           HD2      ARG  38   5.295   1.930   2.976
  303    HD3  ARG  38           HD1      ARG  38   3.691   1.203   2.889
  304    HE   ARG  38           HE       ARG  38   5.910  -0.536   3.510
  305   HH11  ARG  38          HH11      ARG  38   2.985   1.127   4.675
  306   HH12  ARG  38          HH12      ARG  38   3.080   0.473   6.239
  307   HH21  ARG  38          HH21      ARG  38   5.988  -1.466   5.670
  308   HH22  ARG  38          HH22      ARG  38   4.809  -1.037   6.820
  309    H    GLU  39           H        GLU  39   2.913   2.263  -2.060
  310    HA   GLU  39           HA       GLU  39   3.859   4.804  -2.838
  311    HB2  GLU  39           HB2      GLU  39   1.761   3.098  -4.176
  312    HB3  GLU  39           HB1      GLU  39   2.715   4.356  -4.943
  313    HG2  GLU  39           HG2      GLU  39   4.738   3.033  -4.594
  314    HG3  GLU  39           HG1      GLU  39   3.781   1.780  -3.806
  315    H    ARG  40           H        ARG  40   0.846   3.649  -1.621
  316    HA   ARG  40           HA       ARG  40  -0.524   6.153  -2.195
  317    HB2  ARG  40           HB2      ARG  40  -1.594   3.591  -0.982
  318    HB3  ARG  40           HB1      ARG  40  -2.560   4.985  -1.451
  319    HG2  ARG  40           HG2      ARG  40  -0.912   3.298  -3.339
  320    HG3  ARG  40           HG1      ARG  40  -2.660   3.187  -3.135
  321    HD2  ARG  40           HD2      ARG  40  -2.979   5.383  -4.008
  322    HD3  ARG  40           HD1      ARG  40  -1.259   5.734  -3.937
  323    HE   ARG  40           HE       ARG  40  -1.421   3.610  -5.598
  324   HH11  ARG  40          HH11      ARG  40  -2.986   6.794  -5.566
  325   HH12  ARG  40          HH12      ARG  40  -2.979   6.985  -7.253
  326   HH21  ARG  40          HH21      ARG  40  -1.394   3.881  -7.939
  327   HH22  ARG  40          HH22      ARG  40  -2.073   5.280  -8.633
  328    H    GLU  41           H        GLU  41   1.135   4.659   0.368
  329    HA   GLU  41           HA       GLU  41  -0.057   6.351   2.377
  330    HB2  GLU  41           HB2      GLU  41   2.320   4.481   2.516
  331    HB3  GLU  41           HB1      GLU  41   1.715   5.400   3.884
  332    HG2  GLU  41           HG2      GLU  41  -0.441   4.226   3.691
  333    HG3  GLU  41           HG1      GLU  41   0.214   3.283   2.355
  334    H    GLN  42           H        GLN  42   2.735   6.348   0.307
  335    HA   GLN  42           HA       GLN  42   3.863   8.691   1.596
  336    HB2  GLN  42           HB2      GLN  42   5.569   8.602  -0.157
  337    HB3  GLN  42           HB1      GLN  42   5.359   7.016   0.569
  338    HG2  GLN  42           HG2      GLN  42   3.951   6.350  -1.323
  339    HG3  GLN  42           HG1      GLN  42   4.212   7.924  -2.060
  340   HE21  GLN  42          1HE2      GLN  42   7.006   8.055  -1.279
  341   HE22  GLN  42          2HE2      GLN  42   7.829   6.929  -2.292
  342    H    GLY  43           H        GLY  43   1.557   7.978  -0.719
  343    HA2  GLY  43           HA2      GLY  43   1.536  10.770  -1.658
  344    HA3  GLY  43           HA1      GLY  43   1.053   9.409  -2.662
  345    H    ARG  44           H        ARG  44   0.363   9.851   0.725
  346    HA   ARG  44           HA       ARG  44  -2.424   9.333   0.185
  347    HB2  ARG  44           HB2      ARG  44  -2.733   9.218   2.604
  348    HB3  ARG  44           HB1      ARG  44  -1.373   8.238   2.101
  349    HG2  ARG  44           HG2      ARG  44   0.131  10.101   2.826
  350    HG3  ARG  44           HG1      ARG  44  -1.294  10.900   3.497
  351    HD2  ARG  44           HD2      ARG  44  -0.222   8.182   4.260
  352    HD3  ARG  44           HD1      ARG  44  -0.155   9.643   5.239
  353    HE   ARG  44           HE       ARG  44  -2.766   9.404   4.867
  354   HH11  ARG  44          HH11      ARG  44  -0.369   6.972   5.872
  355   HH12  ARG  44          HH12      ARG  44  -1.461   6.037   6.738
  356   HH21  ARG  44          HH21      ARG  44  -4.292   8.101   6.100
  357   HH22  ARG  44          HH22      ARG  44  -3.769   6.689   6.868
  358    H    GLY  45           H        GLY  45  -0.460  12.014   0.606
  359    HA2  GLY  45           HA2      GLY  45  -2.841  13.719   0.660
  360    HA3  GLY  45           HA1      GLY  45  -1.281  14.197   1.352
  361    H    GLU  46           H        GLU  46  -0.083  15.407   0.094
  362    HA   GLU  46           HA       GLU  46   0.349  14.607  -2.582
  363    HB2  GLU  46           HB2      GLU  46  -1.646  16.080  -2.784
  364    HB3  GLU  46           HB1      GLU  46  -0.743  17.372  -2.007
  365    HG2  GLU  46           HG2      GLU  46   0.756  17.529  -3.837
  366    HG3  GLU  46           HG1      GLU  46   0.108  16.058  -4.562
  367    H    ASP  47           H        ASP  47   2.439  15.037  -3.101
  368    HA   ASP  47           HA       ASP  47   3.923  16.958  -1.616
  369    HB2  ASP  47           HB2      ASP  47   5.637  15.318  -1.043
  370    HB3  ASP  47           HB1      ASP  47   4.117  14.840  -0.302
  371    H    VAL  48           H        VAL  48   6.214  16.678  -2.656
  372    HA   VAL  48           HA       VAL  48   5.669  16.981  -5.488
  373    HB   VAL  48           HB       VAL  48   8.308  17.508  -4.080
  374   HG11  VAL  48          HG11      VAL  48   8.551  17.156  -6.485
  375   HG12  VAL  48          HG12      VAL  48   8.854  18.842  -6.068
  376   HG13  VAL  48          3HG1      VAL  48   7.319  18.377  -6.800
  377   HG21  VAL  48          HG21      VAL  48   7.692  19.886  -4.156
  378   HG22  VAL  48          HG22      VAL  48   6.555  18.954  -3.179
  379   HG23  VAL  48          HG23      VAL  48   6.114  19.452  -4.812
  380    H    ASP  49           H        ASP  49   5.300  14.916  -6.009
  381    HA   ASP  49           HA       ASP  49   7.480  12.985  -5.873
  382    HB2  ASP  49           HB2      ASP  49   5.281  12.131  -5.279
  383    HB3  ASP  49           HB1      ASP  49   4.601  12.731  -6.784
  Start of MODEL   10
    1    H    PCA   1           H        PGL   1 -13.662   7.093   0.587
    2    HA   PCA   1           HA       PGL   1 -14.844   9.289   1.266
    3    HB2  PCA   1           HB1      PGL   1 -14.277  10.046   3.349
    4    HB3  PCA   1           HB2      PGL   1 -12.543  10.014   2.920
    5    HG2  PCA   1           HG1      PGL   1 -14.103   8.030   4.423
    6    HG3  PCA   1           HG2      PGL   1 -12.325   8.139   4.173
    7    H    ARG   2           H        ARG   2 -11.374   8.696   1.185
    8    HA   ARG   2           HA       ARG   2 -11.221  10.563  -1.085
    9    HB2  ARG   2           HB2      ARG   2  -9.077   9.906   0.943
   10    HB3  ARG   2           HB1      ARG   2  -8.811  10.875  -0.492
   11    HG2  ARG   2           HG2      ARG   2 -10.643  11.569   1.801
   12    HG3  ARG   2           HG1      ARG   2  -9.054  12.266   1.493
   13    HD2  ARG   2           HD2      ARG   2  -9.896  13.150  -0.655
   14    HD3  ARG   2           HD1      ARG   2 -11.485  12.479  -0.273
   15    HE   ARG   2           HE       ARG   2 -10.331  14.296   1.655
   16   HH11  ARG   2          HH11      ARG   2 -12.617  13.904  -1.045
   17   HH12  ARG   2          HH12      ARG   2 -13.494  15.310  -0.671
   18   HH21  ARG   2          HH21      ARG   2 -11.540  16.238   2.131
   19   HH22  ARG   2          HH22      ARG   2 -12.878  16.658   1.161
   20    H    GLY   3           H        GLY   3 -10.425   7.467   0.211
   21    HA2  GLY   3           HA2      GLY   3 -10.414   5.781  -1.693
   22    HA3  GLY   3           HA1      GLY   3  -9.048   6.740  -2.268
   23    H    SER   4           H        SER   4 -10.097   4.360  -0.071
   24    HA   SER   4           HA       SER   4  -7.726   4.564   1.565
   25    HB2  SER   4           HB2      SER   4  -9.818   4.125   2.710
   26    HB3  SER   4           HB1      SER   4 -10.103   2.697   1.714
   27    HG   SER   4           HG       SER   4  -8.957   2.740   3.993
   28    HA   PRO   5           HA       PRO   5  -5.833   1.443  -1.078
   29    HB2  PRO   5           HB2      PRO   5  -3.461   1.936   0.559
   30    HB3  PRO   5           HB1      PRO   5  -3.685   2.197  -1.171
   31    HG2  PRO   5           HG2      PRO   5  -3.421   4.229   0.594
   32    HG3  PRO   5           HG1      PRO   5  -4.374   4.361  -0.896
   33    HD2  PRO   5           HD2      PRO   5  -5.291   3.922   1.914
   34    HD3  PRO   5           HD1      PRO   5  -5.997   4.923   0.623
   35    H    ARG   6           H        ARG   6  -6.081   1.841   2.331
   36    HA   ARG   6           HA       ARG   6  -5.003  -0.654   3.145
   37    HB2  ARG   6           HB2      ARG   6  -5.201   1.173   4.734
   38    HB3  ARG   6           HB1      ARG   6  -6.951   1.172   4.558
   39    HG2  ARG   6           HG2      ARG   6  -7.058  -1.069   5.500
   40    HG3  ARG   6           HG1      ARG   6  -5.305  -1.089   5.660
   41    HD2  ARG   6           HD2      ARG   6  -5.379   0.694   7.255
   42    HD3  ARG   6           HD1      ARG   6  -7.115   0.905   7.005
   43    HE   ARG   6           HE       ARG   6  -7.073  -1.595   7.716
   44   HH11  ARG   6          HH11      ARG   6  -5.327   1.129   9.154
   45   HH12  ARG   6          HH12      ARG   6  -5.297   0.491  10.725
   46   HH21  ARG   6          HH21      ARG   6  -7.001  -2.515   9.939
   47   HH22  ARG   6          HH22      ARG   6  -6.271  -1.621  11.164
   48    H    ALA   7           H        ALA   7  -8.211   0.472   2.293
   49    HA   ALA   7           HA       ALA   7  -9.721  -1.770   2.918
   50    HB1  ALA   7           HB1      ALA   7 -10.022   0.032   0.508
   51    HB2  ALA   7           HB2      ALA   7 -10.712   0.324   2.106
   52    HB3  ALA   7           HB3      ALA   7 -11.264  -1.047   1.142
   53    H    GLU   8           H        GLU   8  -7.986  -1.040  -0.056
   54    HA   GLU   8           HA       GLU   8  -8.457  -3.450  -1.412
   55    HB2  GLU   8           HB2      GLU   8  -6.136  -1.543  -1.584
   56    HB3  GLU   8           HB1      GLU   8  -6.456  -2.828  -2.736
   57    HG2  GLU   8           HG2      GLU   8  -8.506  -1.791  -3.403
   58    HG3  GLU   8           HG1      GLU   8  -8.341  -0.569  -2.139
   59    H    TYR   9           H        TYR   9  -5.864  -2.436   0.757
   60    HA   TYR   9           HA       TYR   9  -4.147  -4.615   0.528
   61    HB2  TYR   9           HB2      TYR   9  -3.485  -2.588   1.705
   62    HB3  TYR   9           HB1      TYR   9  -4.704  -2.878   2.940
   63    HD1  TYR   9           HD1      TYR   9  -1.603  -4.245   1.478
   64    HD2  TYR   9           HD2      TYR   9  -4.193  -4.185   4.836
   65    HE1  TYR   9           HE1      TYR   9   0.027  -5.556   2.750
   66    HE2  TYR   9           HE2      TYR   9  -2.560  -5.493   6.134
   67    HH   TYR   9           HH       TYR   9   0.637  -5.973   5.139
   68    H    GLU  10           H        GLU  10  -6.759  -4.101   2.843
   69    HA   GLU  10           HA       GLU  10  -6.333  -6.541   4.166
   70    HB2  GLU  10           HB2      GLU  10  -8.748  -4.733   4.202
   71    HB3  GLU  10           HB1      GLU  10  -8.475  -6.064   5.320
   72    HG2  GLU  10           HG2      GLU  10  -6.314  -4.926   5.969
   73    HG3  GLU  10           HG1      GLU  10  -6.854  -3.544   5.029
   74    H    VAL  11           H        VAL  11  -8.488  -5.637   1.542
   75    HA   VAL  11           HA       VAL  11  -9.796  -8.169   1.507
   76    HB   VAL  11           HB       VAL  11  -9.653  -6.034  -0.659
   77   HG11  VAL  11          HG11      VAL  11 -11.643  -7.132  -1.610
   78   HG12  VAL  11          HG12      VAL  11 -11.499  -8.414  -0.407
   79   HG13  VAL  11          3HG1      VAL  11 -10.238  -8.195  -1.619
   80   HG21  VAL  11          HG21      VAL  11 -11.783  -6.634   1.388
   81   HG22  VAL  11          HG22      VAL  11 -11.902  -5.426   0.109
   82   HG23  VAL  11          HG23      VAL  11 -10.701  -5.243   1.387
   83    H    CYS  12           H        CYS  12  -7.032  -6.784  -0.179
   84    HA   CYS  12           HA       CYS  12  -6.406  -8.689  -2.068
   85    HB2  CYS  12           HB2      CYS  12  -5.152  -6.624  -1.911
   86    HB3  CYS  12           HB1      CYS  12  -4.598  -7.022  -0.295
   87    H    ARG  13           H        ARG  13  -5.578  -8.685   1.364
   88    HA   ARG  13           HA       ARG  13  -4.111 -11.126   1.307
   89    HB2  ARG  13           HB2      ARG  13  -5.563  -9.911   3.674
   90    HB3  ARG  13           HB1      ARG  13  -4.257 -11.084   3.739
   91    HG2  ARG  13           HG2      ARG  13  -2.724  -9.414   2.790
   92    HG3  ARG  13           HG1      ARG  13  -4.043  -8.248   2.749
   93    HD2  ARG  13           HD2      ARG  13  -2.782  -7.781   4.705
   94    HD3  ARG  13           HD1      ARG  13  -4.272  -8.564   5.223
   95    HE   ARG  13           HE       ARG  13  -2.129 -10.434   4.888
   96   HH11  ARG  13          HH11      ARG  13  -3.548  -8.150   7.215
   97   HH12  ARG  13          HH12      ARG  13  -2.701  -8.819   8.532
   98   HH21  ARG  13          HH21      ARG  13  -1.070 -11.291   6.606
   99   HH22  ARG  13          HH22      ARG  13  -1.241 -10.705   8.213
  100    H    LEU  14           H        LEU  14  -7.439 -10.307   2.211
  101    HA   LEU  14           HA       LEU  14  -8.310 -12.813   3.015
  102    HB2  LEU  14           HB2      LEU  14  -9.606 -10.807   3.425
  103    HB3  LEU  14           HB1      LEU  14  -9.885 -10.604   1.708
  104    HG   LEU  14           HG       LEU  14 -11.163 -12.735   1.697
  105   HD11  LEU  14          HD11      LEU  14 -10.826 -12.586   4.676
  106   HD12  LEU  14          HD12      LEU  14 -10.184 -13.833   3.603
  107   HD13  LEU  14          HD13      LEU  14 -11.924 -13.668   3.829
  108   HD21  LEU  14          HD21      LEU  14 -13.157 -11.848   2.770
  109   HD22  LEU  14          HD22      LEU  14 -12.310 -10.580   1.880
  110   HD23  LEU  14          HD23      LEU  14 -12.179 -10.670   3.639
  111    H    ARG  15           H        ARG  15  -8.550 -11.351  -0.220
  112    HA   ARG  15           HA       ARG  15  -9.955 -13.472  -1.410
  113    HB2  ARG  15           HB2      ARG  15  -8.039 -11.554  -2.743
  114    HB3  ARG  15           HB1      ARG  15  -9.164 -12.607  -3.585
  115    HG2  ARG  15           HG2      ARG  15  -9.860 -10.325  -1.750
  116    HG3  ARG  15           HG1      ARG  15 -10.021 -10.351  -3.506
  117    HD2  ARG  15           HD2      ARG  15 -11.672 -12.180  -3.293
  118    HD3  ARG  15           HD1      ARG  15 -11.509 -12.080  -1.538
  119    HE   ARG  15           HE       ARG  15 -12.265  -9.665  -2.944
  120   HH11  ARG  15          HH11      ARG  15 -13.343 -12.400  -0.989
  121   HH12  ARG  15          HH12      ARG  15 -14.823 -11.697  -0.532
  122   HH21  ARG  15          HH21      ARG  15 -14.275  -8.680  -2.327
  123   HH22  ARG  15          HH22      ARG  15 -15.378  -9.514  -1.336
  124    H    CYS  16           H        CYS  16  -6.488 -12.895  -1.145
  125    HA   CYS  16           HA       CYS  16  -5.862 -15.220  -2.602
  126    HB2  CYS  16           HB2      CYS  16  -4.209 -13.466  -0.821
  127    HB3  CYS  16           HB1      CYS  16  -3.542 -14.856  -1.668
  128    H    GLN  17           H        GLN  17  -6.505 -14.680   0.805
  129    HA   GLN  17           HA       GLN  17  -5.453 -17.184   1.691
  130    HB2  GLN  17           HB2      GLN  17  -7.560 -15.404   2.933
  131    HB3  GLN  17           HB1      GLN  17  -6.867 -16.813   3.716
  132    HG2  GLN  17           HG2      GLN  17  -4.673 -15.750   3.692
  133    HG3  GLN  17           HG1      GLN  17  -5.364 -14.345   2.879
  134   HE21  GLN  17          1HE2      GLN  17  -5.113 -16.087   5.864
  135   HE22  GLN  17          2HE2      GLN  17  -5.827 -14.880   6.866
  136    H    VAL  18           H        VAL  18  -8.356 -16.203   0.197
  137    HA   VAL  18           HA       VAL  18  -9.723 -18.666   0.881
  138    HB   VAL  18           HB       VAL  18 -10.674 -16.244  -0.673
  139   HG11  VAL  18          HG11      VAL  18 -11.837 -18.283  -1.384
  140   HG12  VAL  18          HG12      VAL  18 -12.904 -17.199  -0.493
  141   HG13  VAL  18          3HG1      VAL  18 -12.237 -18.628   0.300
  142   HG21  VAL  18          HG21      VAL  18 -10.289 -15.810   1.692
  143   HG22  VAL  18          HG22      VAL  18 -11.302 -17.189   2.121
  144   HG23  VAL  18          HG23      VAL  18 -12.011 -15.787   1.321
  145    H    ALA  19           H        ALA  19  -8.535 -16.996  -2.021
  146    HA   ALA  19           HA       ALA  19  -9.354 -19.073  -3.787
  147    HB1  ALA  19           HB1      ALA  19  -7.295 -16.912  -4.229
  148    HB2  ALA  19           HB2      ALA  19  -9.023 -16.755  -4.534
  149    HB3  ALA  19           HB3      ALA  19  -8.063 -17.894  -5.478
  150    H    GLU  20           H        GLU  20  -6.272 -18.219  -2.272
  151    HA   GLU  20           HA       GLU  20  -5.097 -20.667  -3.337
  152    HB2  GLU  20           HB2      GLU  20  -3.809 -18.202  -2.163
  153    HB3  GLU  20           HB1      GLU  20  -2.954 -19.597  -2.800
  154    HG2  GLU  20           HG2      GLU  20  -4.742 -17.778  -4.398
  155    HG3  GLU  20           HG1      GLU  20  -2.982 -17.704  -4.348
  156    H    ARG  21           H        ARG  21  -4.753 -22.250  -1.923
  157    HA   ARG  21           HA       ARG  21  -5.304 -21.644   0.847
  158    HB2  ARG  21           HB2      ARG  21  -4.963 -24.319  -0.487
  159    HB3  ARG  21           HB1      ARG  21  -5.322 -24.090   1.216
  160    HG2  ARG  21           HG2      ARG  21  -7.427 -22.987   0.625
  161    HG3  ARG  21           HG1      ARG  21  -7.070 -23.236  -1.084
  162    HD2  ARG  21           HD2      ARG  21  -7.424 -25.387   0.995
  163    HD3  ARG  21           HD1      ARG  21  -8.593 -24.946  -0.249
  164    HE   ARG  21           HE       ARG  21  -6.633 -25.544  -1.803
  165   HH11  ARG  21          HH11      ARG  21  -7.582 -27.265   1.150
  166   HH12  ARG  21          HH12      ARG  21  -6.937 -28.762   0.678
  167   HH21  ARG  21          HH21      ARG  21  -5.793 -27.633  -2.488
  168   HH22  ARG  21          HH22      ARG  21  -5.904 -28.983  -1.449
  169    H    GLY  22           H        GLY  22  -2.747 -21.738  -1.008
  170    HA2  GLY  22           HA2      GLY  22  -0.900 -22.748   1.035
  171    HA3  GLY  22           HA1      GLY  22  -0.455 -22.247  -0.595
  172    H    VAL  23           H        VAL  23   0.429 -21.472   2.233
  173    HA   VAL  23           HA       VAL  23  -0.396 -18.765   2.516
  174    HB   VAL  23           HB       VAL  23   0.248 -20.132   4.471
  175   HG11  VAL  23          HG11      VAL  23   3.059 -19.887   3.442
  176   HG12  VAL  23          HG12      VAL  23   2.108 -21.366   3.575
  177   HG13  VAL  23          3HG1      VAL  23   2.595 -20.496   5.030
  178   HG21  VAL  23          HG21      VAL  23   0.232 -17.718   4.706
  179   HG22  VAL  23          HG22      VAL  23   1.890 -17.620   4.124
  180   HG23  VAL  23          HG23      VAL  23   1.545 -18.401   5.665
  181    H    GLU  24           H        GLU  24   2.273 -20.342   0.947
  182    HA   GLU  24           HA       GLU  24   3.948 -18.106   0.663
  183    HB2  GLU  24           HB2      GLU  24   3.613 -20.550  -1.062
  184    HB3  GLU  24           HB1      GLU  24   4.845 -19.330  -1.339
  185    HG2  GLU  24           HG2      GLU  24   4.554 -20.880   1.216
  186    HG3  GLU  24           HG1      GLU  24   5.657 -21.305  -0.095
  187    H    GLN  25           H        GLN  25   1.260 -19.242  -1.255
  188    HA   GLN  25           HA       GLN  25   1.436 -17.386  -3.382
  189    HB2  GLN  25           HB2      GLN  25  -0.933 -18.824  -2.189
  190    HB3  GLN  25           HB1      GLN  25  -0.969 -17.930  -3.703
  191    HG2  GLN  25           HG2      GLN  25   0.806 -20.294  -3.168
  192    HG3  GLN  25           HG1      GLN  25  -0.757 -20.377  -3.984
  193   HE21  GLN  25          1HE2      GLN  25  -0.975 -19.483  -5.984
  194   HE22  GLN  25          2HE2      GLN  25   0.372 -19.118  -7.004
  195    H    GLN  26           H        GLN  26  -0.413 -17.444  -0.404
  196    HA   GLN  26           HA       GLN  26  -1.686 -14.917  -0.554
  197    HB2  GLN  26           HB2      GLN  26  -0.794 -16.553   1.821
  198    HB3  GLN  26           HB1      GLN  26  -1.890 -15.184   1.897
  199    HG2  GLN  26           HG2      GLN  26  -3.562 -16.351   0.682
  200    HG3  GLN  26           HG1      GLN  26  -2.443 -17.652   0.279
  201   HE21  GLN  26          1HE2      GLN  26  -3.976 -19.110   1.192
  202   HE22  GLN  26          2HE2      GLN  26  -4.070 -19.310   2.905
  203    H    ARG  27           H        ARG  27   1.422 -15.909   0.741
  204    HA   ARG  27           HA       ARG  27   2.168 -13.531   1.974
  205    HB2  ARG  27           HB2      ARG  27   3.296 -15.820   2.116
  206    HB3  ARG  27           HB1      ARG  27   4.078 -15.421   0.593
  207    HG2  ARG  27           HG2      ARG  27   5.609 -14.924   2.334
  208    HG3  ARG  27           HG1      ARG  27   5.005 -13.382   1.716
  209    HD2  ARG  27           HD2      ARG  27   4.985 -13.247   4.109
  210    HD3  ARG  27           HD1      ARG  27   3.318 -13.403   3.577
  211    HE   ARG  27           HE       ARG  27   4.722 -15.829   4.330
  212   HH11  ARG  27          HH11      ARG  27   2.109 -13.510   5.044
  213   HH12  ARG  27          HH12      ARG  27   1.593 -14.321   6.437
  214   HH21  ARG  27          HH21      ARG  27   4.021 -16.911   6.263
  215   HH22  ARG  27          HH22      ARG  27   2.728 -16.279   7.176
  216    H    LYS  28           H        LYS  28   2.648 -14.677  -1.330
  217    HA   LYS  28           HA       LYS  28   4.132 -12.525  -2.358
  218    HB2  LYS  28           HB2      LYS  28   2.053 -14.230  -3.748
  219    HB3  LYS  28           HB1      LYS  28   3.172 -13.158  -4.566
  220    HG2  LYS  28           HG2      LYS  28   3.948 -15.560  -2.920
  221    HG3  LYS  28           HG1      LYS  28   3.846 -15.518  -4.679
  222    HD2  LYS  28           HD2      LYS  28   5.561 -13.719  -4.679
  223    HD3  LYS  28           HD1      LYS  28   5.711 -13.914  -2.933
  224    HE2  LYS  28           HE2      LYS  28   6.183 -16.092  -4.957
  225    HE3  LYS  28           HE1      LYS  28   7.458 -15.130  -4.222
  226    HZ1  LYS  28           HZ1      LYS  28   7.250 -17.206  -3.132
  227    HZ2  LYS  28           HZ2      LYS  28   5.604 -17.002  -2.859
  228    HZ3  LYS  28           HZ3      LYS  28   6.738 -16.019  -2.052
  229    H    CYS  29           H        CYS  29   0.664 -13.091  -2.262
  230    HA   CYS  29           HA       CYS  29  -0.291 -10.748  -3.379
  231    HB2  CYS  29           HB2      CYS  29  -1.376 -12.518  -1.227
  232    HB3  CYS  29           HB1      CYS  29  -2.343 -11.235  -1.901
  233    H    GLU  30           H        GLU  30   0.368 -11.452   0.043
  234    HA   GLU  30           HA       GLU  30  -0.379  -8.961   1.065
  235    HB2  GLU  30           HB2      GLU  30   1.777 -10.771   2.109
  236    HB3  GLU  30           HB1      GLU  30   0.968  -9.493   2.994
  237    HG2  GLU  30           HG2      GLU  30  -1.126 -10.769   2.839
  238    HG3  GLU  30           HG1      GLU  30  -0.239 -12.063   2.022
  239    H    GLN  31           H        GLN  31   2.814 -10.205   0.185
  240    HA   GLN  31           HA       GLN  31   4.305  -7.990   0.927
  241    HB2  GLN  31           HB2      GLN  31   5.219 -10.223   0.328
  242    HB3  GLN  31           HB1      GLN  31   4.907  -9.863  -1.363
  243    HG2  GLN  31           HG2      GLN  31   7.232  -9.469  -0.898
  244    HG3  GLN  31           HG1      GLN  31   6.430  -7.934  -1.194
  245   HE21  GLN  31          1HE2      GLN  31   7.952  -6.800  -0.116
  246   HE22  GLN  31          2HE2      GLN  31   8.140  -6.804   1.602
  247    H    VAL  32           H        VAL  32   2.928  -8.730  -2.276
  248    HA   VAL  32           HA       VAL  32   3.887  -6.411  -3.552
  249    HB   VAL  32           HB       VAL  32   1.440  -8.081  -4.237
  250   HG11  VAL  32          HG11      VAL  32   1.285  -5.862  -5.263
  251   HG12  VAL  32          HG12      VAL  32   1.602  -7.096  -6.483
  252   HG13  VAL  32          3HG1      VAL  32   2.907  -6.050  -5.929
  253   HG21  VAL  32          HG21      VAL  32   2.898  -9.098  -5.927
  254   HG22  VAL  32          HG22      VAL  32   3.520  -9.348  -4.296
  255   HG23  VAL  32          HG23      VAL  32   4.248  -8.127  -5.341
  256    H    CYS  33           H        CYS  33   0.706  -7.059  -2.041
  257    HA   CYS  33           HA       CYS  33  -0.244  -4.468  -2.594
  258    HB2  CYS  33           HB2      CYS  33  -1.214  -6.558  -0.626
  259    HB3  CYS  33           HB1      CYS  33  -2.049  -5.031  -0.904
  260    H    GLU  34           H        GLU  34   1.518  -5.792   0.127
  261    HA   GLU  34           HA       GLU  34   1.101  -3.622   1.889
  262    HB2  GLU  34           HB2      GLU  34   1.853  -5.990   2.510
  263    HB3  GLU  34           HB1      GLU  34   3.407  -5.550   1.864
  264    HG2  GLU  34           HG2      GLU  34   3.772  -3.923   3.518
  265    HG3  GLU  34           HG1      GLU  34   2.104  -4.036   4.075
  266    H    GLU  35           H        GLU  35   3.675  -4.396  -0.440
  267    HA   GLU  35           HA       GLU  35   5.173  -2.098   0.301
  268    HB2  GLU  35           HB2      GLU  35   5.372  -3.850  -2.137
  269    HB3  GLU  35           HB1      GLU  35   6.451  -2.499  -1.820
  270    HG2  GLU  35           HG2      GLU  35   7.066  -3.576   0.328
  271    HG3  GLU  35           HG1      GLU  35   6.101  -4.969  -0.159
  272    H    ARG  36           H        ARG  36   2.542  -2.621  -1.821
  273    HA   ARG  36           HA       ARG  36   2.803  -0.173  -3.296
  274    HB2  ARG  36           HB2      ARG  36   1.299  -2.244  -3.823
  275    HB3  ARG  36           HB1      ARG  36   0.181  -1.535  -2.668
  276    HG2  ARG  36           HG2      ARG  36   0.415   0.594  -4.113
  277    HG3  ARG  36           HG1      ARG  36   1.032  -0.509  -5.341
  278    HD2  ARG  36           HD2      ARG  36  -1.292  -0.314  -5.758
  279    HD3  ARG  36           HD1      ARG  36  -1.085  -1.876  -4.958
  280    HE   ARG  36           HE       ARG  36  -1.537  -0.116  -2.941
  281   HH11  ARG  36          HH11      ARG  36  -3.436  -1.109  -5.793
  282   HH12  ARG  36          HH12      ARG  36  -4.917  -0.596  -5.115
  283   HH21  ARG  36          HH21      ARG  36  -3.535   0.613  -2.114
  284   HH22  ARG  36          HH22      ARG  36  -4.987   0.443  -3.029
  285    H    LEU  37           H        LEU  37   1.149  -1.279  -0.406
  286    HA   LEU  37           HA       LEU  37  -0.164   1.075   0.357
  287    HB2  LEU  37           HB2      LEU  37   0.626  -1.459   1.638
  288    HB3  LEU  37           HB1      LEU  37   0.368  -0.117   2.728
  289    HG   LEU  37           HG       LEU  37  -1.594  -1.665   2.365
  290   HD11  LEU  37          HD11      LEU  37  -1.903   1.262   1.773
  291   HD12  LEU  37          HD12      LEU  37  -1.853   0.478   3.361
  292   HD13  LEU  37          HD13      LEU  37  -3.203   0.170   2.267
  293   HD21  LEU  37          HD21      LEU  37  -2.972  -1.230   0.345
  294   HD22  LEU  37          HD22      LEU  37  -1.428  -2.002  -0.013
  295   HD23  LEU  37          HD23      LEU  37  -1.640  -0.281  -0.321
  296    H    ARG  38           H        ARG  38   2.979  -0.208   1.200
  297    HA   ARG  38           HA       ARG  38   3.930   1.641   2.982
  298    HB2  ARG  38           HB2      ARG  38   5.077  -0.439   2.229
  299    HB3  ARG  38           HB1      ARG  38   5.512   0.377   0.739
  300    HG2  ARG  38           HG2      ARG  38   7.404   0.376   2.220
  301    HG3  ARG  38           HG1      ARG  38   6.796   2.025   2.069
  302    HD2  ARG  38           HD2      ARG  38   5.639   1.836   4.177
  303    HD3  ARG  38           HD1      ARG  38   6.128   0.149   4.335
  304    HE   ARG  38           HE       ARG  38   8.377   1.793   4.037
  305   HH11  ARG  38          HH11      ARG  38   5.885   1.011   6.405
  306   HH12  ARG  38          HH12      ARG  38   6.842   1.330   7.768
  307   HH21  ARG  38          HH21      ARG  38   9.721   2.255   5.915
  308   HH22  ARG  38          HH22      ARG  38   9.086   2.051   7.474
  309    H    GLU  39           H        GLU  39   3.855   1.862  -0.541
  310    HA   GLU  39           HA       GLU  39   5.331   4.229  -0.826
  311    HB2  GLU  39           HB2      GLU  39   3.186   3.079  -2.597
  312    HB3  GLU  39           HB1      GLU  39   4.257   4.400  -3.030
  313    HG2  GLU  39           HG2      GLU  39   6.175   2.880  -2.744
  314    HG3  GLU  39           HG1      GLU  39   5.042   1.560  -2.450
  315    H    ARG  40           H        ARG  40   1.882   3.691  -0.362
  316    HA   ARG  40           HA       ARG  40   1.322   6.499  -0.778
  317    HB2  ARG  40           HB2      ARG  40  -0.230   4.758  -1.582
  318    HB3  ARG  40           HB1      ARG  40  -0.515   4.257   0.073
  319    HG2  ARG  40           HG2      ARG  40  -2.365   5.594  -0.729
  320    HG3  ARG  40           HG1      ARG  40  -1.507   6.449   0.552
  321    HD2  ARG  40           HD2      ARG  40  -0.414   7.867  -1.066
  322    HD3  ARG  40           HD1      ARG  40  -1.105   6.940  -2.400
  323    HE   ARG  40           HE       ARG  40  -3.178   7.871  -0.775
  324   HH11  ARG  40          HH11      ARG  40  -0.786   9.237  -3.002
  325   HH12  ARG  40          HH12      ARG  40  -1.818  10.486  -3.541
  326   HH21  ARG  40          HH21      ARG  40  -4.560   9.596  -1.500
  327   HH22  ARG  40          HH22      ARG  40  -3.982  10.721  -2.659
  328    H    GLU  41           H        GLU  41   1.852   4.374   1.904
  329    HA   GLU  41           HA       GLU  41   0.744   6.271   3.798
  330    HB2  GLU  41           HB2      GLU  41   2.172   3.662   4.337
  331    HB3  GLU  41           HB1      GLU  41   1.273   4.612   5.508
  332    HG2  GLU  41           HG2      GLU  41   0.120   3.225   3.088
  333    HG3  GLU  41           HG1      GLU  41  -0.007   2.677   4.755
  334    H    GLN  42           H        GLN  42   3.890   5.424   2.541
  335    HA   GLN  42           HA       GLN  42   5.117   7.188   4.552
  336    HB2  GLN  42           HB2      GLN  42   6.215   4.720   3.237
  337    HB3  GLN  42           HB1      GLN  42   7.232   5.873   4.090
  338    HG2  GLN  42           HG2      GLN  42   4.884   4.457   5.326
  339    HG3  GLN  42           HG1      GLN  42   6.556   3.901   5.443
  340   HE21  GLN  42          1HE2      GLN  42   4.287   6.378   6.404
  341   HE22  GLN  42          2HE2      GLN  42   5.286   7.032   7.655
  342    H    GLY  43           H        GLY  43   4.281   7.132   1.385
  343    HA2  GLY  43           HA2      GLY  43   6.253   9.189   0.805
  344    HA3  GLY  43           HA1      GLY  43   6.140   7.817  -0.299
  345    H    ARG  44           H        ARG  44   3.830   9.804   1.444
  346    HA   ARG  44           HA       ARG  44   2.179   9.780  -0.922
  347    HB2  ARG  44           HB2      ARG  44   0.435  10.781   0.564
  348    HB3  ARG  44           HB1      ARG  44   0.977   9.179   1.037
  349    HG2  ARG  44           HG2      ARG  44   2.375  10.152   2.775
  350    HG3  ARG  44           HG1      ARG  44   1.874  11.770   2.284
  351    HD2  ARG  44           HD2      ARG  44   0.656  11.016   4.236
  352    HD3  ARG  44           HD1      ARG  44  -0.430  11.233   2.863
  353    HE   ARG  44           HE       ARG  44   0.062   8.633   2.679
  354   HH11  ARG  44          HH11      ARG  44  -0.576  10.544   5.586
  355   HH12  ARG  44          HH12      ARG  44  -1.398   9.329   6.409
  356   HH21  ARG  44          HH21      ARG  44  -1.175   6.882   3.825
  357   HH22  ARG  44          HH22      ARG  44  -1.751   7.224   5.369
  358    H    GLY  45           H        GLY  45   1.924  11.425  -2.170
  359    HA2  GLY  45           HA2      GLY  45   3.248  13.955  -1.504
  360    HA3  GLY  45           HA1      GLY  45   2.684  13.471  -3.098
  361    H    GLU  46           H        GLU  46   0.543  12.861  -0.550
  362    HA   GLU  46           HA       GLU  46  -1.049  15.272  -1.005
  363    HB2  GLU  46           HB2      GLU  46  -2.011  12.429  -1.296
  364    HB3  GLU  46           HB1      GLU  46  -3.040  13.846  -1.279
  365    HG2  GLU  46           HG2      GLU  46  -2.170  14.586  -3.363
  366    HG3  GLU  46           HG1      GLU  46  -0.904  13.358  -3.324
  367    H    ASP  47           H        ASP  47  -1.522  15.976   1.076
  368    HA   ASP  47           HA       ASP  47  -2.855  14.252   2.826
  369    HB2  ASP  47           HB2      ASP  47  -1.472  14.326   4.648
  370    HB3  ASP  47           HB1      ASP  47  -0.349  13.891   3.368
  371    H    VAL  48           H        VAL  48  -4.203  15.445   4.001
  372    HA   VAL  48           HA       VAL  48  -3.851  18.383   3.994
  373    HB   VAL  48           HB       VAL  48  -6.317  18.651   3.715
  374   HG11  VAL  48          HG11      VAL  48  -4.993  17.117   1.484
  375   HG12  VAL  48          HG12      VAL  48  -4.867  18.852   1.762
  376   HG13  VAL  48          3HG1      VAL  48  -6.420  18.140   1.323
  377   HG21  VAL  48          HG21      VAL  48  -6.250  15.683   3.195
  378   HG22  VAL  48          HG22      VAL  48  -7.633  16.727   2.881
  379   HG23  VAL  48          HG23      VAL  48  -7.061  16.493   4.537
  380    H    ASP  49           H        ASP  49  -4.206  15.658   5.778
  381    HA   ASP  49           HA       ASP  49  -5.260  17.041   8.110
  382    HB2  ASP  49           HB2      ASP  49  -7.130  15.764   7.193
  383    HB3  ASP  49           HB1      ASP  49  -6.123  14.327   7.078
  Start of MODEL   11
    1    H    PCA   1           H        PGL   1 -17.641   2.517   3.548
    2    HA   PCA   1           HA       PGL   1 -15.113   2.881   3.870
    3    HB2  PCA   1           HB1      PGL   1 -13.991   0.947   4.287
    4    HB3  PCA   1           HB2      PGL   1 -14.447   0.340   2.671
    5    HG2  PCA   1           HG1      PGL   1 -15.518  -0.469   5.228
    6    HG3  PCA   1           HG2      PGL   1 -16.009  -1.022   3.591
    7    H    ARG   2           H        ARG   2 -15.147   4.298   2.273
    8    HA   ARG   2           HA       ARG   2 -15.393   3.254  -0.443
    9    HB2  ARG   2           HB2      ARG   2 -17.163   4.894   0.197
   10    HB3  ARG   2           HB1      ARG   2 -15.916   6.082   0.520
   11    HG2  ARG   2           HG2      ARG   2 -16.931   6.515  -1.637
   12    HG3  ARG   2           HG1      ARG   2 -15.256   6.011  -1.855
   13    HD2  ARG   2           HD2      ARG   2 -16.006   3.745  -2.381
   14    HD3  ARG   2           HD1      ARG   2 -17.683   4.245  -2.171
   15    HE   ARG   2           HE       ARG   2 -16.468   5.907  -4.057
   16   HH11  ARG   2          HH11      ARG   2 -17.417   2.515  -3.755
   17   HH12  ARG   2          HH12      ARG   2 -17.724   2.272  -5.394
   18   HH21  ARG   2          HH21      ARG   2 -16.862   5.607  -6.352
   19   HH22  ARG   2          HH22      ARG   2 -17.358   4.096  -6.945
   20    H    GLY   3           H        GLY   3 -13.290   2.772  -0.799
   21    HA2  GLY   3           HA2      GLY   3 -11.166   3.256  -1.558
   22    HA3  GLY   3           HA1      GLY   3 -11.502   4.965  -1.289
   23    H    SER   4           H        SER   4 -11.938   2.549   1.157
   24    HA   SER   4           HA       SER   4 -10.136   3.991   2.854
   25    HB2  SER   4           HB2      SER   4 -11.767   1.502   3.427
   26    HB3  SER   4           HB1      SER   4 -11.034   2.582   4.609
   27    HG   SER   4           HG       SER   4 -12.338   4.201   3.237
   28    HA   PRO   5           HA       PRO   5  -6.709   1.726   1.298
   29    HB2  PRO   5           HB2      PRO   5  -4.973   2.236   3.382
   30    HB3  PRO   5           HB1      PRO   5  -5.283   3.323   2.027
   31    HG2  PRO   5           HG2      PRO   5  -6.421   3.359   4.790
   32    HG3  PRO   5           HG1      PRO   5  -5.921   4.718   3.771
   33    HD2  PRO   5           HD2      PRO   5  -8.490   4.071   4.112
   34    HD3  PRO   5           HD1      PRO   5  -7.894   4.688   2.559
   35    H    ARG   6           H        ARG   6  -7.548   1.213   4.683
   36    HA   ARG   6           HA       ARG   6  -5.994  -1.239   4.737
   37    HB2  ARG   6           HB2      ARG   6  -7.689  -0.054   6.949
   38    HB3  ARG   6           HB1      ARG   6  -6.454  -1.294   7.105
   39    HG2  ARG   6           HG2      ARG   6  -5.932   1.537   6.221
   40    HG3  ARG   6           HG1      ARG   6  -5.676   0.932   7.852
   41    HD2  ARG   6           HD2      ARG   6  -3.935  -0.506   7.136
   42    HD3  ARG   6           HD1      ARG   6  -4.327  -0.274   5.429
   43    HE   ARG   6           HE       ARG   6  -3.732   2.192   6.582
   44   HH11  ARG   6          HH11      ARG   6  -1.935  -0.786   5.862
   45   HH12  ARG   6          HH12      ARG   6  -0.499   0.026   5.422
   46   HH21  ARG   6          HH21      ARG   6  -1.814   3.268   5.974
   47   HH22  ARG   6          HH22      ARG   6  -0.417   2.454   5.464
   48    H    ALA   7           H        ALA   7  -9.220  -0.211   4.323
   49    HA   ALA   7           HA       ALA   7 -10.506  -2.685   4.836
   50    HB1  ALA   7           HB1      ALA   7 -11.316  -0.476   2.943
   51    HB2  ALA   7           HB2      ALA   7 -11.762  -0.571   4.648
   52    HB3  ALA   7           HB3      ALA   7 -12.362  -1.777   3.508
   53    H    GLU   8           H        GLU   8  -9.512  -1.091   1.844
   54    HA   GLU   8           HA       GLU   8  -9.915  -3.286   0.142
   55    HB2  GLU   8           HB2      GLU   8  -8.003  -0.969  -0.192
   56    HB3  GLU   8           HB1      GLU   8  -8.497  -2.074  -1.464
   57    HG2  GLU   8           HG2      GLU   8 -10.254  -0.135   0.017
   58    HG3  GLU   8           HG1      GLU   8  -9.701   0.002  -1.649
   59    H    TYR   9           H        TYR   9  -7.258  -2.342   2.156
   60    HA   TYR   9           HA       TYR   9  -5.142  -3.838   1.193
   61    HB2  TYR   9           HB2      TYR   9  -5.015  -2.224   3.054
   62    HB3  TYR   9           HB1      TYR   9  -5.867  -3.371   4.080
   63    HD1  TYR   9           HD1      TYR   9  -2.770  -2.493   2.526
   64    HD2  TYR   9           HD2      TYR   9  -4.721  -5.426   4.842
   65    HE1  TYR   9           HE1      TYR   9  -0.635  -3.375   3.108
   66    HE2  TYR   9           HE2      TYR   9  -2.580  -6.388   5.476
   67    HH   TYR   9           HH       TYR   9   0.287  -4.745   5.025
   68    H    GLU  10           H        GLU  10  -7.516  -4.798   3.674
   69    HA   GLU  10           HA       GLU  10  -6.496  -7.421   3.727
   70    HB2  GLU  10           HB2      GLU  10  -9.126  -6.398   4.760
   71    HB3  GLU  10           HB1      GLU  10  -8.496  -8.025   5.027
   72    HG2  GLU  10           HG2      GLU  10  -6.504  -6.985   6.093
   73    HG3  GLU  10           HG1      GLU  10  -7.339  -5.436   5.996
   74    H    VAL  11           H        VAL  11  -9.026  -5.934   1.852
   75    HA   VAL  11           HA       VAL  11 -10.150  -8.279   0.768
   76    HB   VAL  11           HB       VAL  11  -9.821  -5.572  -0.587
   77   HG11  VAL  11          HG11      VAL  11 -11.730  -7.823  -1.226
   78   HG12  VAL  11          HG12      VAL  11 -10.350  -7.328  -2.204
   79   HG13  VAL  11          3HG1      VAL  11 -11.717  -6.234  -1.991
   80   HG21  VAL  11          HG21      VAL  11 -11.022  -5.413   1.529
   81   HG22  VAL  11          HG22      VAL  11 -12.137  -6.675   0.999
   82   HG23  VAL  11          HG23      VAL  11 -12.095  -5.122   0.162
   83    H    CYS  12           H        CYS  12  -7.348  -6.403  -0.113
   84    HA   CYS  12           HA       CYS  12  -6.516  -7.653  -2.465
   85    HB2  CYS  12           HB2      CYS  12  -5.539  -5.562  -1.648
   86    HB3  CYS  12           HB1      CYS  12  -4.955  -6.364  -0.207
   87    H    ARG  13           H        ARG  13  -6.040  -8.501   0.905
   88    HA   ARG  13           HA       ARG  13  -4.291 -10.729   0.402
   89    HB2  ARG  13           HB2      ARG  13  -5.849 -10.010   2.895
   90    HB3  ARG  13           HB1      ARG  13  -4.523 -11.160   2.803
   91    HG2  ARG  13           HG2      ARG  13  -2.980  -9.376   2.241
   92    HG3  ARG  13           HG1      ARG  13  -4.301  -8.211   2.237
   93    HD2  ARG  13           HD2      ARG  13  -3.081  -8.053   4.310
   94    HD3  ARG  13           HD1      ARG  13  -4.691  -8.693   4.626
   95    HE   ARG  13           HE       ARG  13  -3.317 -10.938   4.427
   96   HH11  ARG  13          HH11      ARG  13  -2.595  -7.988   6.292
   97   HH12  ARG  13          HH12      ARG  13  -1.564  -8.791   7.378
   98   HH21  ARG  13          HH21      ARG  13  -1.960 -11.990   5.949
   99   HH22  ARG  13          HH22      ARG  13  -1.220 -11.110   7.208
  100    H    LEU  14           H        LEU  14  -7.690 -10.265   1.247
  101    HA   LEU  14           HA       LEU  14  -8.496 -12.926   1.475
  102    HB2  LEU  14           HB2      LEU  14 -10.109 -10.570   0.483
  103    HB3  LEU  14           HB1      LEU  14 -10.770 -12.107   0.988
  104    HG   LEU  14           HG       LEU  14  -9.341 -10.139   2.771
  105   HD11  LEU  14          HD11      LEU  14 -11.532  -9.348   2.091
  106   HD12  LEU  14          HD12      LEU  14 -11.537  -9.814   3.791
  107   HD13  LEU  14          HD13      LEU  14 -12.253 -10.879   2.583
  108   HD21  LEU  14          HD21      LEU  14  -8.971 -12.420   3.530
  109   HD22  LEU  14          HD22      LEU  14 -10.696 -12.756   3.414
  110   HD23  LEU  14          HD23      LEU  14 -10.104 -11.601   4.605
  111    H    ARG  15           H        ARG  15  -8.235 -10.871  -1.375
  112    HA   ARG  15           HA       ARG  15  -9.387 -12.693  -3.180
  113    HB2  ARG  15           HB2      ARG  15  -7.426 -10.447  -3.653
  114    HB3  ARG  15           HB1      ARG  15  -8.120 -11.400  -4.958
  115    HG2  ARG  15           HG2      ARG  15 -10.356 -10.697  -4.292
  116    HG3  ARG  15           HG1      ARG  15  -9.671  -9.751  -2.974
  117    HD2  ARG  15           HD2      ARG  15  -8.515  -8.341  -4.578
  118    HD3  ARG  15           HD1      ARG  15  -9.128  -9.325  -5.910
  119    HE   ARG  15           HE       ARG  15 -11.355  -8.561  -4.580
  120   HH11  ARG  15          HH11      ARG  15  -8.715  -6.782  -6.155
  121   HH12  ARG  15          HH12      ARG  15  -9.640  -5.383  -6.407
  122   HH21  ARG  15          HH21      ARG  15 -12.610  -6.622  -4.968
  123   HH22  ARG  15          HH22      ARG  15 -11.900  -5.289  -5.743
  124    H    CYS  16           H        CYS  16  -6.146 -12.484  -1.889
  125    HA   CYS  16           HA       CYS  16  -5.069 -14.377  -3.720
  126    HB2  CYS  16           HB2      CYS  16  -4.099 -13.445  -1.029
  127    HB3  CYS  16           HB1      CYS  16  -3.193 -14.507  -2.103
  128    H    GLN  17           H        GLN  17  -6.792 -14.545  -0.721
  129    HA   GLN  17           HA       GLN  17  -6.222 -17.279  -0.189
  130    HB2  GLN  17           HB2      GLN  17  -8.607 -15.618   0.626
  131    HB3  GLN  17           HB1      GLN  17  -8.171 -17.180   1.309
  132    HG2  GLN  17           HG2      GLN  17  -6.065 -16.214   2.106
  133    HG3  GLN  17           HG1      GLN  17  -6.566 -14.650   1.470
  134   HE21  GLN  17          1HE2      GLN  17  -5.951 -15.534   4.163
  135   HE22  GLN  17          2HE2      GLN  17  -7.341 -15.151   5.113
  136    H    VAL  18           H        VAL  18  -8.693 -15.546  -1.935
  137    HA   VAL  18           HA       VAL  18 -10.227 -17.779  -2.743
  138    HB   VAL  18           HB       VAL  18  -9.877 -15.092  -4.126
  139   HG11  VAL  18          HG11      VAL  18 -12.017 -15.553  -5.214
  140   HG12  VAL  18          HG12      VAL  18 -12.064 -17.142  -4.450
  141   HG13  VAL  18          3HG1      VAL  18 -10.818 -16.774  -5.642
  142   HG21  VAL  18          HG21      VAL  18 -11.968 -16.044  -2.180
  143   HG22  VAL  18          HG22      VAL  18 -11.976 -14.492  -3.016
  144   HG23  VAL  18          HG23      VAL  18 -10.698 -14.864  -1.857
  145    H    ALA  19           H        ALA  19  -7.375 -16.227  -4.036
  146    HA   ALA  19           HA       ALA  19  -7.125 -17.645  -6.437
  147    HB1  ALA  19           HB1      ALA  19  -5.740 -15.680  -5.884
  148    HB2  ALA  19           HB2      ALA  19  -4.756 -17.063  -6.359
  149    HB3  ALA  19           HB3      ALA  19  -4.906 -16.631  -4.655
  150    H    GLU  20           H        GLU  20  -5.825 -18.371  -3.188
  151    HA   GLU  20           HA       GLU  20  -6.446 -21.069  -3.320
  152    HB2  GLU  20           HB2      GLU  20  -4.207 -22.063  -3.397
  153    HB3  GLU  20           HB1      GLU  20  -4.570 -21.181  -4.876
  154    HG2  GLU  20           HG2      GLU  20  -3.206 -19.305  -4.071
  155    HG3  GLU  20           HG1      GLU  20  -2.801 -20.240  -2.631
  156    H    ARG  21           H        ARG  21  -6.272 -21.958  -1.251
  157    HA   ARG  21           HA       ARG  21  -5.532 -19.985   0.734
  158    HB2  ARG  21           HB2      ARG  21  -6.881 -22.674   1.179
  159    HB3  ARG  21           HB1      ARG  21  -6.397 -21.612   2.486
  160    HG2  ARG  21           HG2      ARG  21  -8.722 -21.267   2.163
  161    HG3  ARG  21           HG1      ARG  21  -7.921 -19.858   1.469
  162    HD2  ARG  21           HD2      ARG  21  -8.065 -20.990  -0.749
  163    HD3  ARG  21           HD1      ARG  21  -9.063 -22.228   0.010
  164    HE   ARG  21           HE       ARG  21 -10.207 -19.765   0.567
  165   HH11  ARG  21          HH11      ARG  21  -9.535 -21.785  -2.248
  166   HH12  ARG  21          HH12      ARG  21 -10.761 -21.118  -3.217
  167   HH21  ARG  21          HH21      ARG  21 -11.847 -18.805  -0.769
  168   HH22  ARG  21          HH22      ARG  21 -12.125 -19.399  -2.359
  169    H    GLY  22           H        GLY  22  -3.379 -20.079   0.000
  170    HA2  GLY  22           HA2      GLY  22  -1.875 -22.166   1.417
  171    HA3  GLY  22           HA1      GLY  22  -1.344 -21.444  -0.101
  172    H    VAL  23           H        VAL  23  -0.282 -21.503   2.726
  173    HA   VAL  23           HA       VAL  23  -0.503 -18.903   3.794
  174    HB   VAL  23           HB       VAL  23   1.616 -21.000   4.341
  175   HG11  VAL  23          HG11      VAL  23   2.327 -18.774   5.060
  176   HG12  VAL  23          HG12      VAL  23   1.988 -19.820   6.436
  177   HG13  VAL  23          3HG1      VAL  23   0.823 -18.583   5.961
  178   HG21  VAL  23          HG21      VAL  23  -0.630 -21.800   4.810
  179   HG22  VAL  23          HG22      VAL  23  -0.948 -20.368   5.793
  180   HG23  VAL  23          HG23      VAL  23   0.272 -21.536   6.300
  181    H    GLU  24           H        GLU  24   2.001 -20.409   1.778
  182    HA   GLU  24           HA       GLU  24   3.901 -18.335   1.916
  183    HB2  GLU  24           HB2      GLU  24   3.415 -20.169  -0.432
  184    HB3  GLU  24           HB1      GLU  24   4.872 -19.269  -0.074
  185    HG2  GLU  24           HG2      GLU  24   5.284 -20.587   1.876
  186    HG3  GLU  24           HG1      GLU  24   3.750 -21.433   1.655
  187    H    GLN  25           H        GLN  25   1.334 -18.968  -0.391
  188    HA   GLN  25           HA       GLN  25   1.797 -16.812  -2.120
  189    HB2  GLN  25           HB2      GLN  25  -0.703 -18.356  -1.495
  190    HB3  GLN  25           HB1      GLN  25  -0.636 -17.117  -2.740
  191    HG2  GLN  25           HG2      GLN  25   1.138 -19.541  -2.664
  192    HG3  GLN  25           HG1      GLN  25  -0.356 -19.422  -3.596
  193   HE21  GLN  25          1HE2      GLN  25   2.940 -18.339  -3.308
  194   HE22  GLN  25          2HE2      GLN  25   3.023 -17.630  -4.878
  195    H    GLN  26           H        GLN  26  -0.169 -17.041   0.770
  196    HA   GLN  26           HA       GLN  26  -1.141 -14.387   0.524
  197    HB2  GLN  26           HB2      GLN  26  -1.148 -16.309   2.844
  198    HB3  GLN  26           HB1      GLN  26  -1.961 -14.744   2.854
  199    HG2  GLN  26           HG2      GLN  26  -3.378 -15.399   1.031
  200    HG3  GLN  26           HG1      GLN  26  -2.497 -16.910   0.842
  201   HE21  GLN  26          1HE2      GLN  26  -4.344 -18.102   1.101
  202   HE22  GLN  26          2HE2      GLN  26  -5.103 -18.295   2.647
  203    H    ARG  27           H        ARG  27   1.609 -15.854   2.143
  204    HA   ARG  27           HA       ARG  27   2.488 -13.567   3.532
  205    HB2  ARG  27           HB2      ARG  27   4.085 -15.837   2.350
  206    HB3  ARG  27           HB1      ARG  27   4.785 -14.575   3.343
  207    HG2  ARG  27           HG2      ARG  27   3.423 -15.285   5.227
  208    HG3  ARG  27           HG1      ARG  27   2.674 -16.534   4.220
  209    HD2  ARG  27           HD2      ARG  27   4.854 -17.551   3.851
  210    HD3  ARG  27           HD1      ARG  27   5.617 -16.314   4.847
  211    HE   ARG  27           HE       ARG  27   3.743 -17.432   6.455
  212   HH11  ARG  27          HH11      ARG  27   6.423 -18.744   4.550
  213   HH12  ARG  27          HH12      ARG  27   6.776 -20.001   5.635
  214   HH21  ARG  27          HH21      ARG  27   4.193 -19.222   7.943
  215   HH22  ARG  27          HH22      ARG  27   5.475 -20.282   7.607
  216    H    LYS  28           H        LYS  28   2.770 -14.531   0.203
  217    HA   LYS  28           HA       LYS  28   4.598 -12.477  -0.569
  218    HB2  LYS  28           HB2      LYS  28   2.508 -13.852  -2.285
  219    HB3  LYS  28           HB1      LYS  28   3.902 -12.961  -2.866
  220    HG2  LYS  28           HG2      LYS  28   3.972 -15.546  -1.324
  221    HG3  LYS  28           HG1      LYS  28   4.220 -15.367  -3.059
  222    HD2  LYS  28           HD2      LYS  28   6.205 -14.028  -2.651
  223    HD3  LYS  28           HD1      LYS  28   5.943 -14.138  -0.908
  224    HE2  LYS  28           HE2      LYS  28   6.218 -16.549  -1.005
  225    HE3  LYS  28           HE1      LYS  28   6.427 -16.474  -2.750
  226    HZ1  LYS  28           HZ1      LYS  28   8.540 -16.644  -1.673
  227    HZ2  LYS  28           HZ2      LYS  28   8.234 -15.307  -0.708
  228    HZ3  LYS  28           HZ3      LYS  28   8.424 -15.116  -2.371
  229    H    CYS  29           H        CYS  29   1.114 -12.878  -0.716
  230    HA   CYS  29           HA       CYS  29   0.513 -10.420  -1.837
  231    HB2  CYS  29           HB2      CYS  29  -1.150 -12.284  -0.207
  232    HB3  CYS  29           HB1      CYS  29  -1.800 -10.826  -0.945
  233    H    GLU  30           H        GLU  30   0.654 -11.258   1.641
  234    HA   GLU  30           HA       GLU  30  -0.343  -8.831   2.569
  235    HB2  GLU  30           HB2      GLU  30   0.908  -9.275   4.668
  236    HB3  GLU  30           HB1      GLU  30   0.016 -10.679   4.107
  237    HG2  GLU  30           HG2      GLU  30   2.040 -11.648   3.227
  238    HG3  GLU  30           HG1      GLU  30   2.949 -10.215   3.678
  239    H    GLN  31           H        GLN  31   2.850  -9.679   1.453
  240    HA   GLN  31           HA       GLN  31   4.014  -7.176   2.165
  241    HB2  GLN  31           HB2      GLN  31   5.349  -9.231   1.965
  242    HB3  GLN  31           HB1      GLN  31   4.978  -9.293   0.247
  243    HG2  GLN  31           HG2      GLN  31   6.087  -7.125  -0.045
  244    HG3  GLN  31           HG1      GLN  31   6.510  -7.143   1.664
  245   HE21  GLN  31          1HE2      GLN  31   8.116  -7.092  -0.713
  246   HE22  GLN  31          2HE2      GLN  31   9.209  -8.434  -0.574
  247    H    VAL  32           H        VAL  32   2.802  -8.658  -0.825
  248    HA   VAL  32           HA       VAL  32   3.360  -6.584  -2.608
  249    HB   VAL  32           HB       VAL  32   1.018  -8.528  -2.658
  250   HG11  VAL  32          HG11      VAL  32   0.779  -8.006  -5.038
  251   HG12  VAL  32          HG12      VAL  32   2.040  -6.786  -4.909
  252   HG13  VAL  32          3HG1      VAL  32   0.513  -6.565  -4.055
  253   HG21  VAL  32          HG21      VAL  32   3.204  -9.599  -2.771
  254   HG22  VAL  32          HG22      VAL  32   3.657  -8.556  -4.120
  255   HG23  VAL  32          HG23      VAL  32   2.358  -9.732  -4.311
  256    H    CYS  33           H        CYS  33   0.441  -7.105  -0.678
  257    HA   CYS  33           HA       CYS  33  -0.869  -4.766  -1.528
  258    HB2  CYS  33           HB2      CYS  33  -1.226  -6.140   1.153
  259    HB3  CYS  33           HB1      CYS  33  -2.398  -5.139   0.312
  260    H    GLU  34           H        GLU  34   1.375  -5.430   1.164
  261    HA   GLU  34           HA       GLU  34   1.092  -2.927   2.450
  262    HB2  GLU  34           HB2      GLU  34   1.978  -4.954   3.541
  263    HB3  GLU  34           HB1      GLU  34   3.404  -4.858   2.523
  264    HG2  GLU  34           HG2      GLU  34   4.062  -2.796   3.557
  265    HG3  GLU  34           HG1      GLU  34   2.562  -2.746   4.484
  266    H    GLU  35           H        GLU  35   3.575  -4.103   0.179
  267    HA   GLU  35           HA       GLU  35   4.991  -1.676   0.116
  268    HB2  GLU  35           HB2      GLU  35   4.817  -3.881  -1.938
  269    HB3  GLU  35           HB1      GLU  35   5.885  -2.498  -2.099
  270    HG2  GLU  35           HG2      GLU  35   6.962  -3.160   0.042
  271    HG3  GLU  35           HG1      GLU  35   5.964  -4.613   0.040
  272    H    ARG  36           H        ARG  36   2.175  -2.754  -1.600
  273    HA   ARG  36           HA       ARG  36   2.218  -0.591  -3.446
  274    HB2  ARG  36           HB2      ARG  36   1.085  -2.801  -3.824
  275    HB3  ARG  36           HB1      ARG  36  -0.148  -2.291  -2.682
  276    HG2  ARG  36           HG2      ARG  36  -0.824  -0.501  -4.099
  277    HG3  ARG  36           HG1      ARG  36   0.536  -0.781  -5.189
  278    HD2  ARG  36           HD2      ARG  36  -1.376  -1.764  -6.198
  279    HD3  ARG  36           HD1      ARG  36  -0.368  -3.064  -5.577
  280    HE   ARG  36           HE       ARG  36  -2.584  -2.076  -3.982
  281   HH11  ARG  36          HH11      ARG  36  -1.102  -4.744  -5.817
  282   HH12  ARG  36          HH12      ARG  36  -2.309  -5.873  -5.415
  283   HH21  ARG  36          HH21      ARG  36  -4.306  -3.641  -3.529
  284   HH22  ARG  36          HH22      ARG  36  -4.167  -5.232  -4.125
  285    H    LEU  37           H        LEU  37   0.580  -1.202  -0.346
  286    HA   LEU  37           HA       LEU  37  -0.739   1.284  -0.401
  287    HB2  LEU  37           HB2      LEU  37  -0.306  -0.726   1.704
  288    HB3  LEU  37           HB1      LEU  37  -0.626   0.911   2.238
  289    HG   LEU  37           HG       LEU  37  -2.620   0.830   0.690
  290   HD11  LEU  37          HD11      LEU  37  -3.649  -1.389   0.382
  291   HD12  LEU  37          HD12      LEU  37  -2.053  -2.088   0.739
  292   HD13  LEU  37          HD13      LEU  37  -2.261  -1.014  -0.632
  293   HD21  LEU  37          HD21      LEU  37  -3.992  -0.271   2.442
  294   HD22  LEU  37          HD22      LEU  37  -2.870   0.988   2.958
  295   HD23  LEU  37          HD23      LEU  37  -2.461  -0.698   3.247
  296    H    ARG  38           H        ARG  38   2.338   0.309   0.830
  297    HA   ARG  38           HA       ARG  38   3.334   2.570   2.043
  298    HB2  ARG  38           HB2      ARG  38   4.564   0.516   1.740
  299    HB3  ARG  38           HB1      ARG  38   4.548   0.722   0.004
  300    HG2  ARG  38           HG2      ARG  38   5.944   2.779   0.359
  301    HG3  ARG  38           HG1      ARG  38   6.120   2.255   2.041
  302    HD2  ARG  38           HD2      ARG  38   7.985   1.420   0.715
  303    HD3  ARG  38           HD1      ARG  38   6.949   0.102   1.277
  304    HE   ARG  38           HE       ARG  38   6.005   0.817  -1.217
  305   HH11  ARG  38          HH11      ARG  38   8.982  -0.609   0.066
  306   HH12  ARG  38          HH12      ARG  38   9.349  -1.438  -1.381
  307   HH21  ARG  38          HH21      ARG  38   6.559  -0.309  -3.234
  308   HH22  ARG  38          HH22      ARG  38   7.983  -1.239  -3.240
  309    H    GLU  39           H        GLU  39   3.216   1.806  -1.401
  310    HA   GLU  39           HA       GLU  39   4.144   4.321  -2.331
  311    HB2  GLU  39           HB2      GLU  39   2.842   1.986  -3.701
  312    HB3  GLU  39           HB1      GLU  39   3.425   3.411  -4.551
  313    HG2  GLU  39           HG2      GLU  39   5.673   2.979  -3.885
  314    HG3  GLU  39           HG1      GLU  39   5.156   1.696  -2.796
  315    H    ARG  40           H        ARG  40   1.057   3.214  -1.345
  316    HA   ARG  40           HA       ARG  40  -0.393   5.152  -2.938
  317    HB2  ARG  40           HB2      ARG  40  -1.276   2.870  -2.552
  318    HB3  ARG  40           HB1      ARG  40  -1.337   3.211  -0.833
  319    HG2  ARG  40           HG2      ARG  40  -3.037   4.882  -1.182
  320    HG3  ARG  40           HG1      ARG  40  -2.927   4.668  -2.931
  321    HD2  ARG  40           HD2      ARG  40  -3.612   2.321  -2.677
  322    HD3  ARG  40           HD1      ARG  40  -3.757   2.560  -0.937
  323    HE   ARG  40           HE       ARG  40  -5.384   4.439  -1.822
  324   HH11  ARG  40          HH11      ARG  40  -5.174   1.038  -2.873
  325   HH12  ARG  40          HH12      ARG  40  -6.816   0.971  -3.311
  326   HH21  ARG  40          HH21      ARG  40  -7.525   4.315  -2.451
  327   HH22  ARG  40          HH22      ARG  40  -8.202   2.878  -3.104
  328    H    GLU  41           H        GLU  41   0.408   4.556   0.479
  329    HA   GLU  41           HA       GLU  41  -0.988   6.906   1.326
  330    HB2  GLU  41           HB2      GLU  41  -0.255   6.363   3.587
  331    HB3  GLU  41           HB1      GLU  41  -0.942   4.959   2.799
  332    HG2  GLU  41           HG2      GLU  41   1.215   3.981   2.493
  333    HG3  GLU  41           HG1      GLU  41   2.018   5.463   3.003
  334    H    GLN  42           H        GLN  42   2.420   5.996   0.938
  335    HA   GLN  42           HA       GLN  42   3.276   8.608   1.859
  336    HB2  GLN  42           HB2      GLN  42   4.456   6.455   2.415
  337    HB3  GLN  42           HB1      GLN  42   4.890   6.327   0.720
  338    HG2  GLN  42           HG2      GLN  42   6.167   8.392   0.892
  339    HG3  GLN  42           HG1      GLN  42   5.710   8.532   2.586
  340   HE21  GLN  42          1HE2      GLN  42   6.505   5.486   1.032
  341   HE22  GLN  42          2HE2      GLN  42   7.968   5.228   1.902
  342    H    GLY  43           H        GLY  43   2.580   6.921  -1.005
  343    HA2  GLY  43           HA2      GLY  43   3.822   8.923  -2.740
  344    HA3  GLY  43           HA1      GLY  43   3.046   7.426  -3.266
  345    H    ARG  44           H        ARG  44   2.315  10.289  -1.508
  346    HA   ARG  44           HA       ARG  44  -0.445  10.361  -1.523
  347    HB2  ARG  44           HB2      ARG  44   1.449  12.706  -1.613
  348    HB3  ARG  44           HB1      ARG  44  -0.204  12.730  -1.018
  349    HG2  ARG  44           HG2      ARG  44   0.348  11.350   0.839
  350    HG3  ARG  44           HG1      ARG  44   1.939  10.991   0.180
  351    HD2  ARG  44           HD2      ARG  44   1.000  13.714   1.087
  352    HD3  ARG  44           HD1      ARG  44   2.054  12.635   2.004
  353    HE   ARG  44           HE       ARG  44   2.926  13.399  -0.666
  354   HH11  ARG  44          HH11      ARG  44   3.351  13.948   2.832
  355   HH12  ARG  44          HH12      ARG  44   4.864  14.703   2.598
  356   HH21  ARG  44          HH21      ARG  44   4.946  14.424  -0.886
  357   HH22  ARG  44          HH22      ARG  44   5.783  14.990   0.496
  358    H    GLY  45           H        GLY  45  -1.634  10.110  -3.351
  359    HA2  GLY  45           HA2      GLY  45  -1.328  12.116  -5.462
  360    HA3  GLY  45           HA1      GLY  45  -1.420  10.409  -5.888
  361    H    GLU  46           H        GLU  46  -3.357  10.789  -7.057
  362    HA   GLU  46           HA       GLU  46  -5.645  11.943  -5.780
  363    HB2  GLU  46           HB2      GLU  46  -5.495  10.377  -8.368
  364    HB3  GLU  46           HB1      GLU  46  -6.921  11.198  -7.781
  365    HG2  GLU  46           HG2      GLU  46  -6.002  12.538  -9.483
  366    HG3  GLU  46           HG1      GLU  46  -5.618  13.344  -7.968
  367    H    ASP  47           H        ASP  47  -6.054  10.709  -3.981
  368    HA   ASP  47           HA       ASP  47  -7.073   8.012  -4.600
  369    HB2  ASP  47           HB2      ASP  47  -5.266   7.954  -2.936
  370    HB3  ASP  47           HB1      ASP  47  -6.172   9.066  -1.910
  371    H    VAL  48           H        VAL  48  -7.683  10.748  -2.463
  372    HA   VAL  48           HA       VAL  48 -10.540  10.330  -2.916
  373    HB   VAL  48           HB       VAL  48  -9.844   9.463  -0.683
  374   HG11  VAL  48          HG11      VAL  48  -9.184  10.960   1.127
  375   HG12  VAL  48          HG12      VAL  48  -9.055  12.278  -0.035
  376   HG13  VAL  48          3HG1      VAL  48  -7.990  10.878  -0.171
  377   HG21  VAL  48          HG21      VAL  48 -12.130  10.215  -0.931
  378   HG22  VAL  48          HG22      VAL  48 -11.661  11.869  -0.550
  379   HG23  VAL  48          HG23      VAL  48 -11.555  10.618   0.687
  380    H    ASP  49           H        ASP  49  -8.696  11.943  -4.255
  381    HA   ASP  49           HA       ASP  49  -8.866  14.642  -3.302
  382    HB2  ASP  49           HB2      ASP  49  -6.868  13.891  -4.511
  383    HB3  ASP  49           HB1      ASP  49  -7.848  13.574  -5.939
  Start of MODEL   12
    1    H    PCA   1           H        PGL   1 -13.270   5.637   6.103
    2    HA   PCA   1           HA       PGL   1 -11.616   4.076   7.215
    3    HB2  PCA   1           HB1      PGL   1 -12.432   3.154   9.127
    4    HB3  PCA   1           HB2      PGL   1 -13.582   2.193   8.155
    5    HG2  PCA   1           HG1      PGL   1 -14.103   4.578   9.761
    6    HG3  PCA   1           HG2      PGL   1 -15.268   3.519   8.892
    7    H    ARG   2           H        ARG   2 -14.503   3.683   5.425
    8    HA   ARG   2           HA       ARG   2 -13.743   1.106   4.381
    9    HB2  ARG   2           HB2      ARG   2 -15.750   1.268   2.952
   10    HB3  ARG   2           HB1      ARG   2 -16.098   1.501   4.655
   11    HG2  ARG   2           HG2      ARG   2 -16.314   3.875   4.334
   12    HG3  ARG   2           HG1      ARG   2 -15.812   3.724   2.648
   13    HD2  ARG   2           HD2      ARG   2 -18.252   2.451   3.867
   14    HD3  ARG   2           HD1      ARG   2 -18.264   3.920   2.890
   15    HE   ARG   2           HE       ARG   2 -17.214   2.422   1.130
   16   HH11  ARG   2          HH11      ARG   2 -19.607   1.261   3.486
   17   HH12  ARG   2          HH12      ARG   2 -20.235   0.045   2.477
   18   HH21  ARG   2          HH21      ARG   2 -18.093   0.720  -0.274
   19   HH22  ARG   2          HH22      ARG   2 -19.330  -0.283   0.298
   20    H    GLY   3           H        GLY   3 -13.054   4.296   3.627
   21    HA2  GLY   3           HA2      GLY   3 -12.170   3.540   0.926
   22    HA3  GLY   3           HA1      GLY   3 -12.483   5.190   1.460
   23    H    SER   4           H        SER   4 -10.934   3.037   3.605
   24    HA   SER   4           HA       SER   4  -8.574   4.677   3.576
   25    HB2  SER   4           HB2      SER   4  -9.597   4.029   5.727
   26    HB3  SER   4           HB1      SER   4  -9.369   2.329   5.331
   27    HG   SER   4           HG       SER   4  -7.691   3.994   6.517
   28    HA   PRO   5           HA       PRO   5  -6.147   2.035   0.908
   29    HB2  PRO   5           HB2      PRO   5  -3.983   2.518   2.874
   30    HB3  PRO   5           HB1      PRO   5  -3.998   2.796   1.133
   31    HG2  PRO   5           HG2      PRO   5  -4.149   4.804   2.869
   32    HG3  PRO   5           HG1      PRO   5  -5.044   4.838   1.335
   33    HD2  PRO   5           HD2      PRO   5  -6.012   4.358   4.103
   34    HD3  PRO   5           HD1      PRO   5  -6.818   5.142   2.729
   35    H    ARG   6           H        ARG   6  -6.168   1.639   4.356
   36    HA   ARG   6           HA       ARG   6  -4.855  -0.877   4.453
   37    HB2  ARG   6           HB2      ARG   6  -5.607  -1.055   6.752
   38    HB3  ARG   6           HB1      ARG   6  -5.051   0.576   6.426
   39    HG2  ARG   6           HG2      ARG   6  -7.408   1.273   6.157
   40    HG3  ARG   6           HG1      ARG   6  -7.902  -0.350   6.644
   41    HD2  ARG   6           HD2      ARG   6  -7.986   1.086   8.565
   42    HD3  ARG   6           HD1      ARG   6  -6.642  -0.037   8.752
   43    HE   ARG   6           HE       ARG   6  -5.762   2.357   7.544
   44   HH11  ARG   6          HH11      ARG   6  -6.711   1.040  10.680
   45   HH12  ARG   6          HH12      ARG   6  -5.809   2.171  11.581
   46   HH21  ARG   6          HH21      ARG   6  -4.543   3.914   8.767
   47   HH22  ARG   6          HH22      ARG   6  -4.574   3.879  10.470
   48    H    ALA   7           H        ALA   7  -8.042  -0.008   3.533
   49    HA   ALA   7           HA       ALA   7  -9.200  -2.581   3.982
   50    HB1  ALA   7           HB1      ALA   7 -10.621  -0.575   3.825
   51    HB2  ALA   7           HB2      ALA   7 -11.049  -1.750   2.581
   52    HB3  ALA   7           HB3      ALA   7 -10.090  -0.330   2.161
   53    H    GLU   8           H        GLU   8  -7.731  -0.833   1.268
   54    HA   GLU   8           HA       GLU   8  -8.020  -2.749  -0.754
   55    HB2  GLU   8           HB2      GLU   8  -5.672  -0.913  -0.280
   56    HB3  GLU   8           HB1      GLU   8  -6.017  -1.757  -1.771
   57    HG2  GLU   8           HG2      GLU   8  -8.035  -0.425  -2.047
   58    HG3  GLU   8           HG1      GLU   8  -7.673   0.420  -0.535
   59    H    TYR   9           H        TYR   9  -5.665  -2.277   1.739
   60    HA   TYR   9           HA       TYR   9  -3.743  -4.158   1.052
   61    HB2  TYR   9           HB2      TYR   9  -3.470  -2.431   2.786
   62    HB3  TYR   9           HB1      TYR   9  -4.608  -3.296   3.808
   63    HD1  TYR   9           HD1      TYR   9  -3.826  -4.860   5.314
   64    HD2  TYR   9           HD2      TYR   9  -1.392  -3.755   2.026
   65    HE1  TYR   9           HE1      TYR   9  -2.013  -6.181   6.244
   66    HE2  TYR   9           HE2      TYR   9   0.452  -5.060   2.927
   67    HH   TYR   9           HH       TYR   9   1.220  -5.892   5.024
   68    H    GLU  10           H        GLU  10  -6.390  -4.521   3.392
   69    HA   GLU  10           HA       GLU  10  -5.901  -7.260   3.778
   70    HB2  GLU  10           HB2      GLU  10  -8.191  -5.495   4.510
   71    HB3  GLU  10           HB1      GLU  10  -8.153  -7.220   4.901
   72    HG2  GLU  10           HG2      GLU  10  -6.115  -5.190   5.776
   73    HG3  GLU  10           HG1      GLU  10  -7.453  -5.784   6.760
   74    H    VAL  11           H        VAL  11  -8.234  -5.576   1.683
   75    HA   VAL  11           HA       VAL  11  -9.631  -7.911   0.929
   76    HB   VAL  11           HB       VAL  11  -9.247  -5.328  -0.651
   77   HG11  VAL  11          HG11      VAL  11 -11.184  -6.022  -1.992
   78   HG12  VAL  11          HG12      VAL  11 -11.235  -7.559  -1.131
   79   HG13  VAL  11          3HG1      VAL  11  -9.857  -7.174  -2.161
   80   HG21  VAL  11          HG21      VAL  11 -11.516  -4.812   0.115
   81   HG22  VAL  11          HG22      VAL  11 -10.411  -5.038   1.471
   82   HG23  VAL  11          HG23      VAL  11 -11.547  -6.316   1.035
   83    H    CYS  12           H        CYS  12  -6.738  -6.433  -0.302
   84    HA   CYS  12           HA       CYS  12  -6.296  -8.023  -2.558
   85    HB2  CYS  12           HB2      CYS  12  -5.112  -5.915  -2.058
   86    HB3  CYS  12           HB1      CYS  12  -4.333  -6.680  -0.691
   87    H    ARG  13           H        ARG  13  -5.727  -8.593   0.833
   88    HA   ARG  13           HA       ARG  13  -4.132 -10.970   0.446
   89    HB2  ARG  13           HB2      ARG  13  -5.477  -9.901   2.930
   90    HB3  ARG  13           HB1      ARG  13  -4.230 -11.137   2.886
   91    HG2  ARG  13           HG2      ARG  13  -2.627  -9.510   2.054
   92    HG3  ARG  13           HG1      ARG  13  -3.884  -8.276   2.013
   93    HD2  ARG  13           HD2      ARG  13  -2.611  -7.927   3.990
   94    HD3  ARG  13           HD1      ARG  13  -4.160  -8.605   4.478
   95    HE   ARG  13           HE       ARG  13  -2.205 -10.609   4.088
   96   HH11  ARG  13          HH11      ARG  13  -3.497  -8.303   6.483
   97   HH12  ARG  13          HH12      ARG  13  -2.640  -9.006   7.785
   98   HH21  ARG  13          HH21      ARG  13  -1.025 -11.507   5.881
   99   HH22  ARG  13          HH22      ARG  13  -1.243 -10.867   7.455
  100    H    LEU  14           H        LEU  14  -7.437 -10.123   1.368
  101    HA   LEU  14           HA       LEU  14  -8.446 -12.652   1.939
  102    HB2  LEU  14           HB2      LEU  14  -9.877 -10.303   0.704
  103    HB3  LEU  14           HB1      LEU  14 -10.677 -11.725   1.333
  104    HG   LEU  14           HG       LEU  14  -9.065  -9.747   2.952
  105   HD11  LEU  14          HD11      LEU  14 -11.217  -9.137   3.930
  106   HD12  LEU  14          HD12      LEU  14 -12.034 -10.243   2.826
  107   HD13  LEU  14          HD13      LEU  14 -11.189  -8.830   2.194
  108   HD21  LEU  14          HD21      LEU  14  -9.949 -10.979   4.898
  109   HD22  LEU  14          HD22      LEU  14  -8.890 -11.971   3.905
  110   HD23  LEU  14          HD23      LEU  14 -10.640 -12.179   3.805
  111    H    ARG  15           H        ARG  15  -8.183 -11.013  -1.170
  112    HA   ARG  15           HA       ARG  15  -9.537 -12.849  -2.783
  113    HB2  ARG  15           HB2      ARG  15  -7.045 -11.288  -3.492
  114    HB3  ARG  15           HB1      ARG  15  -8.102 -12.075  -4.652
  115    HG2  ARG  15           HG2      ARG  15  -8.856  -9.791  -2.838
  116    HG3  ARG  15           HG1      ARG  15  -8.474  -9.669  -4.554
  117    HD2  ARG  15           HD2      ARG  15 -10.397 -11.081  -5.084
  118    HD3  ARG  15           HD1      ARG  15 -10.767 -11.233  -3.366
  119    HE   ARG  15           HE       ARG  15 -10.610  -8.536  -4.035
  120   HH11  ARG  15          HH11      ARG  15 -12.700 -11.284  -4.758
  121   HH12  ARG  15          HH12      ARG  15 -14.134 -10.363  -4.860
  122   HH21  ARG  15          HH21      ARG  15 -12.616  -7.251  -4.185
  123   HH22  ARG  15          HH22      ARG  15 -14.083  -8.048  -4.493
  124    H    CYS  16           H        CYS  16  -6.129 -12.820  -1.830
  125    HA   CYS  16           HA       CYS  16  -5.488 -15.191  -3.190
  126    HB2  CYS  16           HB2      CYS  16  -4.093 -13.764  -0.938
  127    HB3  CYS  16           HB1      CYS  16  -3.420 -15.157  -1.773
  128    H    GLN  17           H        GLN  17  -6.506 -14.573   0.142
  129    HA   GLN  17           HA       GLN  17  -6.039 -17.171   1.109
  130    HB2  GLN  17           HB2      GLN  17  -8.025 -15.089   2.006
  131    HB3  GLN  17           HB1      GLN  17  -7.736 -16.592   2.872
  132    HG2  GLN  17           HG2      GLN  17  -5.413 -15.970   3.210
  133    HG3  GLN  17           HG1      GLN  17  -5.670 -14.485   2.301
  134   HE21  GLN  17          1HE2      GLN  17  -6.779 -12.824   3.236
  135   HE22  GLN  17          2HE2      GLN  17  -7.096 -12.754   4.925
  136    H    VAL  18           H        VAL  18  -8.662 -15.924  -0.772
  137    HA   VAL  18           HA       VAL  18 -10.300 -18.250  -0.310
  138    HB   VAL  18           HB       VAL  18 -10.653 -15.989  -2.293
  139   HG11  VAL  18          HG11      VAL  18 -11.847 -17.979  -3.039
  140   HG12  VAL  18          HG12      VAL  18 -12.986 -16.751  -2.485
  141   HG13  VAL  18          3HG1      VAL  18 -12.610 -18.134  -1.456
  142   HG21  VAL  18          HG21      VAL  18 -10.760 -15.208  -0.006
  143   HG22  VAL  18          HG22      VAL  18 -11.917 -16.472   0.400
  144   HG23  VAL  18          HG23      VAL  18 -12.371 -15.190  -0.726
  145    H    ALA  19           H        ALA  19  -8.409 -16.957  -3.046
  146    HA   ALA  19           HA       ALA  19  -9.038 -19.315  -4.615
  147    HB1  ALA  19           HB1      ALA  19  -7.327 -16.965  -5.359
  148    HB2  ALA  19           HB2      ALA  19  -9.057 -17.120  -5.678
  149    HB3  ALA  19           HB3      ALA  19  -7.914 -18.220  -6.450
  150    H    GLU  20           H        GLU  20  -6.080 -17.824  -3.341
  151    HA   GLU  20           HA       GLU  20  -4.517 -20.149  -4.195
  152    HB2  GLU  20           HB2      GLU  20  -3.637 -17.455  -3.120
  153    HB3  GLU  20           HB1      GLU  20  -2.576 -18.720  -3.715
  154    HG2  GLU  20           HG2      GLU  20  -4.643 -17.332  -5.397
  155    HG3  GLU  20           HG1      GLU  20  -2.959 -16.829  -5.288
  156    H    ARG  21           H        ARG  21  -5.209 -21.563  -2.545
  157    HA   ARG  21           HA       ARG  21  -4.990 -20.587   0.156
  158    HB2  ARG  21           HB2      ARG  21  -6.051 -23.206  -0.858
  159    HB3  ARG  21           HB1      ARG  21  -6.020 -22.727   0.838
  160    HG2  ARG  21           HG2      ARG  21  -7.367 -20.753   0.274
  161    HG3  ARG  21           HG1      ARG  21  -7.469 -21.328  -1.387
  162    HD2  ARG  21           HD2      ARG  21  -9.463 -21.893  -0.136
  163    HD3  ARG  21           HD1      ARG  21  -8.588 -23.350  -0.606
  164    HE   ARG  21           HE       ARG  21  -8.190 -23.816   1.548
  165   HH11  ARG  21          HH11      ARG  21  -9.086 -20.376   1.458
  166   HH12  ARG  21          HH12      ARG  21  -9.620 -20.333   3.070
  167   HH21  ARG  21          HH21      ARG  21  -8.937 -23.717   3.795
  168   HH22  ARG  21          HH22      ARG  21  -9.551 -22.267   4.428
  169    H    GLY  22           H        GLY  22  -2.698 -20.404  -0.548
  170    HA2  GLY  22           HA2      GLY  22  -1.278 -22.610   0.727
  171    HA3  GLY  22           HA1      GLY  22  -0.623 -21.756  -0.675
  172    H    VAL  23           H        VAL  23   0.155 -21.947   2.228
  173    HA   VAL  23           HA       VAL  23  -0.340 -19.456   3.460
  174    HB   VAL  23           HB       VAL  23   2.000 -21.313   3.961
  175   HG11  VAL  23          HG11      VAL  23   2.349 -19.087   4.891
  176   HG12  VAL  23          HG12      VAL  23   2.085 -20.271   6.172
  177   HG13  VAL  23          3HG1      VAL  23   0.786 -19.177   5.703
  178   HG21  VAL  23          HG21      VAL  23  -0.705 -21.198   5.289
  179   HG22  VAL  23          HG22      VAL  23   0.641 -22.219   5.787
  180   HG23  VAL  23          HG23      VAL  23  -0.128 -22.474   4.219
  181    H    GLU  24           H        GLU  24   2.463 -20.649   1.659
  182    HA   GLU  24           HA       GLU  24   3.890 -18.237   1.909
  183    HB2  GLU  24           HB2      GLU  24   5.335 -19.124   0.088
  184    HB3  GLU  24           HB1      GLU  24   5.149 -20.207   1.460
  185    HG2  GLU  24           HG2      GLU  24   3.561 -21.524   0.210
  186    HG3  GLU  24           HG1      GLU  24   3.694 -20.419  -1.159
  187    H    GLN  25           H        GLN  25   1.586 -19.369  -0.404
  188    HA   GLN  25           HA       GLN  25   2.011 -17.478  -2.459
  189    HB2  GLN  25           HB2      GLN  25  -0.615 -18.723  -1.629
  190    HB3  GLN  25           HB1      GLN  25  -0.296 -17.938  -3.164
  191    HG2  GLN  25           HG2      GLN  25   1.404 -19.682  -3.628
  192    HG3  GLN  25           HG1      GLN  25   0.904 -20.488  -2.139
  193   HE21  GLN  25          1HE2      GLN  25   0.038 -19.678  -5.366
  194   HE22  GLN  25          2HE2      GLN  25  -1.334 -20.714  -5.489
  195    H    GLN  26           H        GLN  26  -0.154 -17.469   0.299
  196    HA   GLN  26           HA       GLN  26  -1.233 -14.907  -0.153
  197    HB2  GLN  26           HB2      GLN  26  -1.089 -16.641   2.298
  198    HB3  GLN  26           HB1      GLN  26  -2.014 -15.143   2.211
  199    HG2  GLN  26           HG2      GLN  26  -3.463 -16.005   0.573
  200    HG3  GLN  26           HG1      GLN  26  -2.406 -17.376   0.253
  201   HE21  GLN  26          1HE2      GLN  26  -4.096 -18.758   0.578
  202   HE22  GLN  26          2HE2      GLN  26  -4.670 -19.162   2.161
  203    H    ARG  27           H        ARG  27   1.533 -16.040   1.709
  204    HA   ARG  27           HA       ARG  27   2.111 -13.526   2.839
  205    HB2  ARG  27           HB2      ARG  27   3.957 -15.859   2.315
  206    HB3  ARG  27           HB1      ARG  27   4.434 -14.418   3.202
  207    HG2  ARG  27           HG2      ARG  27   2.621 -14.876   4.832
  208    HG3  ARG  27           HG1      ARG  27   2.282 -16.374   3.971
  209    HD2  ARG  27           HD2      ARG  27   4.558 -17.145   4.418
  210    HD3  ARG  27           HD1      ARG  27   4.898 -15.650   5.283
  211    HE   ARG  27           HE       ARG  27   2.622 -16.881   6.362
  212   HH11  ARG  27          HH11      ARG  27   6.141 -17.278   6.298
  213   HH12  ARG  27          HH12      ARG  27   6.224 -18.115   7.781
  214   HH21  ARG  27          HH21      ARG  27   2.747 -18.022   8.407
  215   HH22  ARG  27          HH22      ARG  27   4.247 -18.525   9.022
  216    H    LYS  28           H        LYS  28   2.945 -14.960  -0.237
  217    HA   LYS  28           HA       LYS  28   4.703 -12.894  -1.094
  218    HB2  LYS  28           HB2      LYS  28   2.919 -14.686  -2.773
  219    HB3  LYS  28           HB1      LYS  28   4.234 -13.696  -3.384
  220    HG2  LYS  28           HG2      LYS  28   4.556 -15.974  -1.454
  221    HG3  LYS  28           HG1      LYS  28   4.788 -16.086  -3.195
  222    HD2  LYS  28           HD2      LYS  28   6.604 -14.464  -3.067
  223    HD3  LYS  28           HD1      LYS  28   6.341 -14.293  -1.328
  224    HE2  LYS  28           HE2      LYS  28   6.903 -16.614  -0.976
  225    HE3  LYS  28           HE1      LYS  28   7.055 -16.865  -2.712
  226    HZ1  LYS  28           HZ1      LYS  28   8.751 -15.028  -1.124
  227    HZ2  LYS  28           HZ2      LYS  28   8.943 -15.429  -2.760
  228    HZ3  LYS  28           HZ3      LYS  28   9.185 -16.590  -1.573
  229    H    CYS  29           H        CYS  29   1.232 -13.434  -1.388
  230    HA   CYS  29           HA       CYS  29   0.531 -11.227  -2.911
  231    HB2  CYS  29           HB2      CYS  29  -1.012 -12.628  -0.742
  232    HB3  CYS  29           HB1      CYS  29  -1.707 -11.391  -1.775
  233    H    GLU  30           H        GLU  30   0.539 -11.449   0.674
  234    HA   GLU  30           HA       GLU  30  -0.246  -8.788   1.016
  235    HB2  GLU  30           HB2      GLU  30   0.519  -9.046   3.381
  236    HB3  GLU  30           HB1      GLU  30  -0.605 -10.271   2.825
  237    HG2  GLU  30           HG2      GLU  30   1.273 -11.787   2.467
  238    HG3  GLU  30           HG1      GLU  30   2.367 -10.570   3.125
  239    H    GLN  31           H        GLN  31   2.827 -10.014   0.228
  240    HA   GLN  31           HA       GLN  31   4.308  -7.725   1.084
  241    HB2  GLN  31           HB2      GLN  31   5.406  -9.896   0.629
  242    HB3  GLN  31           HB1      GLN  31   4.938  -9.774  -1.060
  243    HG2  GLN  31           HG2      GLN  31   6.334  -7.794  -1.313
  244    HG3  GLN  31           HG1      GLN  31   6.792  -7.895   0.385
  245   HE21  GLN  31          1HE2      GLN  31   8.423  -7.994  -2.002
  246   HE22  GLN  31          2HE2      GLN  31   9.295  -9.479  -1.930
  247    H    VAL  32           H        VAL  32   3.037  -8.846  -2.026
  248    HA   VAL  32           HA       VAL  32   3.632  -6.620  -3.626
  249    HB   VAL  32           HB       VAL  32   1.316  -8.572  -3.839
  250   HG11  VAL  32          HG11      VAL  32   0.875  -6.578  -5.182
  251   HG12  VAL  32          HG12      VAL  32   1.209  -7.972  -6.209
  252   HG13  VAL  32          3HG1      VAL  32   2.450  -6.746  -5.958
  253   HG21  VAL  32          HG21      VAL  32   3.462  -9.673  -3.873
  254   HG22  VAL  32          HG22      VAL  32   4.027  -8.566  -5.126
  255   HG23  VAL  32          HG23      VAL  32   2.730  -9.707  -5.479
  256    H    CYS  33           H        CYS  33   0.766  -7.418  -1.750
  257    HA   CYS  33           HA       CYS  33  -0.830  -5.228  -2.417
  258    HB2  CYS  33           HB2      CYS  33  -0.774  -6.672   0.239
  259    HB3  CYS  33           HB1      CYS  33  -2.115  -5.753  -0.421
  260    H    GLU  34           H        GLU  34   1.716  -5.598   0.021
  261    HA   GLU  34           HA       GLU  34   1.059  -3.191   1.357
  262    HB2  GLU  34           HB2      GLU  34   2.270  -5.297   2.282
  263    HB3  GLU  34           HB1      GLU  34   3.691  -4.600   1.546
  264    HG2  GLU  34           HG2      GLU  34   3.656  -2.714   2.937
  265    HG3  GLU  34           HG1      GLU  34   2.019  -3.063   3.496
  266    H    GLU  35           H        GLU  35   3.081  -4.077  -1.317
  267    HA   GLU  35           HA       GLU  35   4.764  -1.819  -1.386
  268    HB2  GLU  35           HB2      GLU  35   3.729  -3.421  -3.737
  269    HB3  GLU  35           HB1      GLU  35   5.141  -2.371  -3.743
  270    HG2  GLU  35           HG2      GLU  35   6.179  -3.829  -2.050
  271    HG3  GLU  35           HG1      GLU  35   4.794  -4.902  -2.167
  272    H    ARG  36           H        ARG  36   1.565  -2.421  -2.655
  273    HA   ARG  36           HA       ARG  36   1.217   0.084  -3.970
  274    HB2  ARG  36           HB2      ARG  36  -0.199  -1.862  -4.493
  275    HB3  ARG  36           HB1      ARG  36  -0.854  -1.838  -2.864
  276    HG2  ARG  36           HG2      ARG  36  -1.913   0.299  -3.280
  277    HG3  ARG  36           HG1      ARG  36  -1.178   0.378  -4.879
  278    HD2  ARG  36           HD2      ARG  36  -3.467  -0.325  -5.104
  279    HD3  ARG  36           HD1      ARG  36  -2.398  -1.665  -5.501
  280    HE   ARG  36           HE       ARG  36  -3.303  -1.654  -2.776
  281   HH11  ARG  36          HH11      ARG  36  -3.973  -2.778  -6.075
  282   HH12  ARG  36          HH12      ARG  36  -5.099  -3.964  -5.640
  283   HH21  ARG  36          HH21      ARG  36  -4.948  -3.350  -2.142
  284   HH22  ARG  36          HH22      ARG  36  -5.683  -4.252  -3.364
  285    H    LEU  37           H        LEU  37   0.620  -1.130  -0.770
  286    HA   LEU  37           HA       LEU  37  -0.760   1.098   0.228
  287    HB2  LEU  37           HB2      LEU  37   0.523  -1.290   1.370
  288    HB3  LEU  37           HB1      LEU  37   0.292   0.059   2.457
  289    HG   LEU  37           HG       LEU  37  -1.526  -1.687   2.480
  290   HD11  LEU  37          HD11      LEU  37  -3.312  -0.029   2.598
  291   HD12  LEU  37          HD12      LEU  37  -2.275   1.139   1.782
  292   HD13  LEU  37          HD13      LEU  37  -1.839   0.535   3.379
  293   HD21  LEU  37          HD21      LEU  37  -2.234  -0.453  -0.191
  294   HD22  LEU  37          HD22      LEU  37  -3.233  -1.581   0.721
  295   HD23  LEU  37          HD23      LEU  37  -1.682  -2.108   0.068
  296    H    ARG  38           H        ARG  38   2.646   0.398  -0.008
  297    HA   ARG  38           HA       ARG  38   3.536   2.562   1.572
  298    HB2  ARG  38           HB2      ARG  38   4.882   1.319  -0.842
  299    HB3  ARG  38           HB1      ARG  38   5.667   2.378   0.318
  300    HG2  ARG  38           HG2      ARG  38   4.538  -0.362   0.867
  301    HG3  ARG  38           HG1      ARG  38   6.245   0.084   0.784
  302    HD2  ARG  38           HD2      ARG  38   6.003   1.510   2.718
  303    HD3  ARG  38           HD1      ARG  38   4.271   1.202   2.771
  304    HE   ARG  38           HE       ARG  38   5.866  -1.150   2.941
  305   HH11  ARG  38          HH11      ARG  38   4.313   1.477   4.762
  306   HH12  ARG  38          HH12      ARG  38   4.400   0.681   6.252
  307   HH21  ARG  38          HH21      ARG  38   5.913  -2.287   5.015
  308   HH22  ARG  38          HH22      ARG  38   5.326  -1.485   6.400
  309    H    GLU  39           H        GLU  39   2.509   2.345  -1.735
  310    HA   GLU  39           HA       GLU  39   3.179   5.023  -2.445
  311    HB2  GLU  39           HB2      GLU  39   1.109   3.191  -3.647
  312    HB3  GLU  39           HB1      GLU  39   1.798   4.622  -4.400
  313    HG2  GLU  39           HG2      GLU  39   3.964   3.579  -4.490
  314    HG3  GLU  39           HG1      GLU  39   3.342   2.168  -3.632
  315    H    ARG  40           H        ARG  40   0.497   3.451  -0.913
  316    HA   ARG  40           HA       ARG  40  -1.345   5.647  -1.123
  317    HB2  ARG  40           HB2      ARG  40  -1.365   3.295   0.765
  318    HB3  ARG  40           HB1      ARG  40  -2.679   4.433   0.545
  319    HG2  ARG  40           HG2      ARG  40  -1.610   2.528  -1.520
  320    HG3  ARG  40           HG1      ARG  40  -3.110   2.337  -0.624
  321    HD2  ARG  40           HD2      ARG  40  -3.822   4.554  -1.642
  322    HD3  ARG  40           HD1      ARG  40  -2.412   4.394  -2.696
  323    HE   ARG  40           HE       ARG  40  -4.538   2.389  -2.509
  324   HH11  ARG  40          HH11      ARG  40  -2.456   4.438  -4.534
  325   HH12  ARG  40          HH12      ARG  40  -2.897   3.653  -5.981
  326   HH21  ARG  40          HH21      ARG  40  -5.186   1.434  -4.456
  327   HH22  ARG  40          HH22      ARG  40  -4.551   1.942  -5.971
  328    H    GLU  41           H        GLU  41   1.213   4.775   1.011
  329    HA   GLU  41           HA       GLU  41   0.429   6.614   3.079
  330    HB2  GLU  41           HB2      GLU  41   3.057   5.224   2.576
  331    HB3  GLU  41           HB1      GLU  41   2.674   6.160   4.012
  332    HG2  GLU  41           HG2      GLU  41   0.863   4.549   4.504
  333    HG3  GLU  41           HG1      GLU  41   1.390   3.593   3.117
  334    H    GLN  42           H        GLN  42   2.324   6.618   0.206
  335    HA   GLN  42           HA       GLN  42   3.503   9.202   0.774
  336    HB2  GLN  42           HB2      GLN  42   4.739   7.442  -0.474
  337    HB3  GLN  42           HB1      GLN  42   3.549   7.543  -1.762
  338    HG2  GLN  42           HG2      GLN  42   5.564   8.760  -2.344
  339    HG3  GLN  42           HG1      GLN  42   4.195   9.859  -2.175
  340   HE21  GLN  42          1HE2      GLN  42   5.425  11.632  -1.734
  341   HE22  GLN  42          2HE2      GLN  42   6.303  11.832  -0.271
  342    H    GLY  43           H        GLY  43   0.743   7.899  -0.761
  343    HA2  GLY  43           HA2      GLY  43  -0.282  10.549  -1.246
  344    HA3  GLY  43           HA1      GLY  43  -0.146   9.495  -2.653
  345    H    ARG  44           H        ARG  44  -1.950  10.333   0.016
  346    HA   ARG  44           HA       ARG  44  -3.361   7.865   0.398
  347    HB2  ARG  44           HB2      ARG  44  -4.033  10.645   1.329
  348    HB3  ARG  44           HB1      ARG  44  -4.812   9.171   1.871
  349    HG2  ARG  44           HG2      ARG  44  -2.681   8.405   2.791
  350    HG3  ARG  44           HG1      ARG  44  -1.929   9.917   2.282
  351    HD2  ARG  44           HD2      ARG  44  -2.548  10.022   4.628
  352    HD3  ARG  44           HD1      ARG  44  -3.501  11.161   3.681
  353    HE   ARG  44           HE       ARG  44  -5.224   9.256   3.704
  354   HH11  ARG  44          HH11      ARG  44  -3.036   9.992   6.409
  355   HH12  ARG  44          HH12      ARG  44  -4.146   9.497   7.589
  356   HH21  ARG  44          HH21      ARG  44  -6.705   8.528   5.355
  357   HH22  ARG  44          HH22      ARG  44  -6.230   8.633   6.995
  358    H    GLY  45           H        GLY  45  -4.557  11.019  -0.539
  359    HA2  GLY  45           HA2      GLY  45  -6.513   9.689  -2.286
  360    HA3  GLY  45           HA1      GLY  45  -6.955  11.030  -1.235
  361    H    GLU  46           H        GLU  46  -4.704  10.168  -3.773
  362    HA   GLU  46           HA       GLU  46  -4.088  12.912  -4.339
  363    HB2  GLU  46           HB2      GLU  46  -3.284  10.360  -5.708
  364    HB3  GLU  46           HB1      GLU  46  -2.667  11.950  -6.130
  365    HG2  GLU  46           HG2      GLU  46  -1.715  12.185  -3.915
  366    HG3  GLU  46           HG1      GLU  46  -2.379  10.619  -3.450
  367    H    ASP  47           H        ASP  47  -6.719  11.271  -4.998
  368    HA   ASP  47           HA       ASP  47  -7.191  12.370  -7.668
  369    HB2  ASP  47           HB2      ASP  47  -8.903  10.634  -5.874
  370    HB3  ASP  47           HB1      ASP  47  -9.431  11.250  -7.432
  371    H    VAL  48           H        VAL  48  -7.329  13.301  -4.518
  372    HA   VAL  48           HA       VAL  48  -9.446  15.266  -5.026
  373    HB   VAL  48           HB       VAL  48  -8.727  14.040  -2.337
  374   HG11  VAL  48          HG11      VAL  48  -9.486  16.336  -2.131
  375   HG12  VAL  48          HG12      VAL  48 -10.701  15.230  -1.489
  376   HG13  VAL  48          3HG1      VAL  48 -10.927  15.966  -3.076
  377   HG21  VAL  48          HG21      VAL  48 -10.942  12.966  -2.402
  378   HG22  VAL  48          HG22      VAL  48  -9.909  12.411  -3.721
  379   HG23  VAL  48          HG23      VAL  48 -11.185  13.586  -4.037
  380    H    ASP  49           H        ASP  49  -8.347  17.071  -5.427
  381    HA   ASP  49           HA       ASP  49  -6.170  17.801  -3.616
  382    HB2  ASP  49           HB2      ASP  49  -6.246  18.197  -6.617
  383    HB3  ASP  49           HB1      ASP  49  -5.102  18.996  -5.550
  Start of MODEL   13
    1    H    PCA   1           H        PGL   1 -12.849   9.562   0.169
    2    HA   PCA   1           HA       PGL   1 -11.396  10.380  -1.710
    3    HB2  PCA   1           HB1      PGL   1  -9.213  10.009  -1.210
    4    HB3  PCA   1           HB2      PGL   1  -9.448   8.316  -1.724
    5    HG2  PCA   1           HG1      PGL   1  -9.099   9.351   0.976
    6    HG3  PCA   1           HG2      PGL   1  -9.280   7.645   0.434
    7    H    ARG   2           H        ARG   2 -13.156   7.853  -0.942
    8    HA   ARG   2           HA       ARG   2 -14.215   6.171  -1.920
    9    HB2  ARG   2           HB2      ARG   2 -14.777   7.881  -3.675
   10    HB3  ARG   2           HB1      ARG   2 -13.354   7.381  -4.574
   11    HG2  ARG   2           HG2      ARG   2 -15.319   6.378  -5.555
   12    HG3  ARG   2           HG1      ARG   2 -14.340   5.119  -4.800
   13    HD2  ARG   2           HD2      ARG   2 -15.794   5.205  -2.819
   14    HD3  ARG   2           HD1      ARG   2 -16.793   6.415  -3.621
   15    HE   ARG   2           HE       ARG   2 -16.664   4.227  -5.305
   16   HH11  ARG   2          HH11      ARG   2 -17.892   4.917  -2.044
   17   HH12  ARG   2          HH12      ARG   2 -19.091   3.717  -2.101
   18   HH21  ARG   2          HH21      ARG   2 -18.350   2.579  -5.362
   19   HH22  ARG   2          HH22      ARG   2 -19.349   2.375  -3.994
   20    H    GLY   3           H        GLY   3 -12.767   4.806  -0.989
   21    HA2  GLY   3           HA2      GLY   3 -11.849   2.635  -1.880
   22    HA3  GLY   3           HA1      GLY   3 -10.720   3.670  -2.753
   23    H    SER   4           H        SER   4 -11.400   2.133   0.202
   24    HA   SER   4           HA       SER   4  -9.497   3.746   1.690
   25    HB2  SER   4           HB2      SER   4 -11.001   1.290   2.600
   26    HB3  SER   4           HB1      SER   4 -10.241   2.515   3.604
   27    HG   SER   4           HG       SER   4 -11.930   3.712   1.925
   28    HA   PRO   5           HA       PRO   5  -6.435   1.033  -0.113
   29    HB2  PRO   5           HB2      PRO   5  -4.268   2.033   1.237
   30    HB3  PRO   5           HB1      PRO   5  -4.977   2.762  -0.207
   31    HG2  PRO   5           HG2      PRO   5  -5.381   3.475   2.666
   32    HG3  PRO   5           HG1      PRO   5  -5.185   4.538   1.261
   33    HD2  PRO   5           HD2      PRO   5  -7.576   4.060   2.353
   34    HD3  PRO   5           HD1      PRO   5  -7.382   4.286   0.603
   35    H    ARG   6           H        ARG   6  -6.659   1.337   3.418
   36    HA   ARG   6           HA       ARG   6  -4.934  -0.973   3.771
   37    HB2  ARG   6           HB2      ARG   6  -4.862   0.877   5.422
   38    HB3  ARG   6           HB1      ARG   6  -6.531   0.563   5.852
   39    HG2  ARG   6           HG2      ARG   6  -5.885  -1.674   6.648
   40    HG3  ARG   6           HG1      ARG   6  -4.203  -1.293   6.279
   41    HD2  ARG   6           HD2      ARG   6  -4.685  -0.927   8.642
   42    HD3  ARG   6           HD1      ARG   6  -4.283   0.586   7.834
   43    HE   ARG   6           HE       ARG   6  -7.094   0.039   7.921
   44   HH11  ARG   6          HH11      ARG   6  -4.404   1.483   9.687
   45   HH12  ARG   6          HH12      ARG   6  -5.359   2.498  10.648
   46   HH21  ARG   6          HH21      ARG   6  -8.455   1.421   9.258
   47   HH22  ARG   6          HH22      ARG   6  -7.726   2.451  10.399
   48    H    ALA   7           H        ALA   7  -8.273  -0.211   3.661
   49    HA   ALA   7           HA       ALA   7  -9.283  -2.699   4.563
   50    HB1  ALA   7           HB1      ALA   7 -10.464  -0.747   2.581
   51    HB2  ALA   7           HB2      ALA   7 -10.718  -0.711   4.328
   52    HB3  ALA   7           HB3      ALA   7 -11.341  -2.056   3.368
   53    H    GLU   8           H        GLU   8  -8.466  -1.383   1.389
   54    HA   GLU   8           HA       GLU   8  -9.033  -3.679  -0.127
   55    HB2  GLU   8           HB2      GLU   8  -7.030  -1.508  -0.761
   56    HB3  GLU   8           HB1      GLU   8  -7.741  -2.635  -1.908
   57    HG2  GLU   8           HG2      GLU   8  -9.964  -1.679  -1.379
   58    HG3  GLU   8           HG1      GLU   8  -9.161  -0.481  -0.371
   59    H    TYR   9           H        TYR   9  -6.177  -2.656   1.600
   60    HA   TYR   9           HA       TYR   9  -4.307  -4.509   0.705
   61    HB2  TYR   9           HB2      TYR   9  -3.685  -2.697   2.222
   62    HB3  TYR   9           HB1      TYR   9  -4.704  -3.370   3.484
   63    HD1  TYR   9           HD1      TYR   9  -1.657  -3.985   1.497
   64    HD2  TYR   9           HD2      TYR   9  -3.880  -5.016   4.955
   65    HE1  TYR   9           HE1      TYR   9   0.226  -5.290   2.299
   66    HE2  TYR   9           HE2      TYR   9  -2.007  -6.341   5.789
   67    HH   TYR   9           HH       TYR   9   1.140  -6.192   4.466
   68    H    GLU  10           H        GLU  10  -6.592  -4.775   3.373
   69    HA   GLU  10           HA       GLU  10  -5.976  -7.454   3.987
   70    HB2  GLU  10           HB2      GLU  10  -8.339  -5.711   4.627
   71    HB3  GLU  10           HB1      GLU  10  -8.135  -7.349   5.251
   72    HG2  GLU  10           HG2      GLU  10  -6.117  -5.168   5.662
   73    HG3  GLU  10           HG1      GLU  10  -7.431  -5.492   6.789
   74    H    VAL  11           H        VAL  11  -8.325  -5.948   1.857
   75    HA   VAL  11           HA       VAL  11  -9.789  -8.250   1.144
   76    HB   VAL  11           HB       VAL  11  -9.176  -5.790  -0.548
   77   HG11  VAL  11          HG11      VAL  11 -11.282  -7.905  -0.954
   78   HG12  VAL  11          HG12      VAL  11  -9.857  -7.653  -1.963
   79   HG13  VAL  11          3HG1      VAL  11 -11.120  -6.422  -1.894
   80   HG21  VAL  11          HG21      VAL  11 -10.383  -5.251   1.485
   81   HG22  VAL  11          HG22      VAL  11 -11.582  -6.490   1.125
   82   HG23  VAL  11          HG23      VAL  11 -11.438  -5.071   0.084
   83    H    CYS  12           H        CYS  12  -6.885  -6.817  -0.237
   84    HA   CYS  12           HA       CYS  12  -6.285  -8.501  -2.330
   85    HB2  CYS  12           HB2      CYS  12  -4.962  -6.539  -1.947
   86    HB3  CYS  12           HB1      CYS  12  -4.511  -7.075  -0.337
   87    H    ARG  13           H        ARG  13  -5.592  -8.932   1.088
   88    HA   ARG  13           HA       ARG  13  -4.155 -11.374   0.783
   89    HB2  ARG  13           HB2      ARG  13  -5.520 -10.268   3.242
   90    HB3  ARG  13           HB1      ARG  13  -4.260 -11.495   3.209
   91    HG2  ARG  13           HG2      ARG  13  -2.669  -9.887   2.352
   92    HG3  ARG  13           HG1      ARG  13  -3.926  -8.654   2.278
   93    HD2  ARG  13           HD2      ARG  13  -2.636  -8.272   4.242
   94    HD3  ARG  13           HD1      ARG  13  -4.207  -8.895   4.737
   95    HE   ARG  13           HE       ARG  13  -2.247 -10.950   4.460
   96   HH11  ARG  13          HH11      ARG  13  -3.600  -8.510   6.689
   97   HH12  ARG  13          HH12      ARG  13  -2.875  -9.215   8.061
   98   HH21  ARG  13          HH21      ARG  13  -1.254 -11.861   6.343
   99   HH22  ARG  13          HH22      ARG  13  -1.507 -11.168   7.876
  100    H    LEU  14           H        LEU  14  -7.442 -10.492   1.693
  101    HA   LEU  14           HA       LEU  14  -8.470 -12.992   2.336
  102    HB2  LEU  14           HB2      LEU  14  -9.551 -10.821   2.804
  103    HB3  LEU  14           HB1      LEU  14  -9.908 -10.651   1.103
  104    HG   LEU  14           HG       LEU  14 -11.350 -12.677   1.240
  105   HD11  LEU  14          HD11      LEU  14 -10.856 -12.452   4.196
  106   HD12  LEU  14          HD12      LEU  14 -10.352 -13.776   3.143
  107   HD13  LEU  14          HD13      LEU  14 -12.065 -13.479   3.428
  108   HD21  LEU  14          HD21      LEU  14 -13.197 -11.570   2.392
  109   HD22  LEU  14          HD22      LEU  14 -12.304 -10.438   1.373
  110   HD23  LEU  14          HD23      LEU  14 -12.062 -10.434   3.121
  111    H    ARG  15           H        ARG  15  -8.269 -11.384  -0.781
  112    HA   ARG  15           HA       ARG  15  -9.725 -13.229  -2.338
  113    HB2  ARG  15           HB2      ARG  15  -7.290 -11.632  -3.124
  114    HB3  ARG  15           HB1      ARG  15  -8.363 -12.440  -4.253
  115    HG2  ARG  15           HG2      ARG  15 -10.183 -10.962  -3.589
  116    HG3  ARG  15           HG1      ARG  15  -9.121 -10.186  -2.412
  117    HD2  ARG  15           HD2      ARG  15  -7.604  -9.543  -4.221
  118    HD3  ARG  15           HD1      ARG  15  -8.704 -10.263  -5.390
  119    HE   ARG  15           HE       ARG  15 -10.350  -8.576  -4.327
  120   HH11  ARG  15          HH11      ARG  15  -6.880  -7.998  -4.896
  121   HH12  ARG  15          HH12      ARG  15  -7.066  -6.360  -5.256
  122   HH21  ARG  15          HH21      ARG  15 -10.587  -6.277  -4.835
  123   HH22  ARG  15          HH22      ARG  15  -9.218  -5.368  -5.260
  124    H    CYS  16           H        CYS  16  -6.278 -13.084  -1.588
  125    HA   CYS  16           HA       CYS  16  -5.655 -15.494  -2.897
  126    HB2  CYS  16           HB2      CYS  16  -4.137 -13.977  -0.783
  127    HB3  CYS  16           HB1      CYS  16  -3.493 -15.323  -1.718
  128    H    GLN  17           H        GLN  17  -6.771 -14.763   0.340
  129    HA   GLN  17           HA       GLN  17  -6.123 -17.210   1.558
  130    HB2  GLN  17           HB2      GLN  17  -8.439 -15.346   2.127
  131    HB3  GLN  17           HB1      GLN  17  -8.021 -16.723   3.130
  132    HG2  GLN  17           HG2      GLN  17  -5.830 -15.704   3.575
  133    HG3  GLN  17           HG1      GLN  17  -6.301 -14.312   2.604
  134   HE21  GLN  17          1HE2      GLN  17  -6.789 -16.020   5.593
  135   HE22  GLN  17          2HE2      GLN  17  -7.619 -14.734   6.393
  136    H    VAL  18           H        VAL  18  -8.704 -16.322  -0.580
  137    HA   VAL  18           HA       VAL  18 -10.127 -18.798  -0.102
  138    HB   VAL  18           HB       VAL  18 -10.662 -16.686  -2.213
  139   HG11  VAL  18          HG11      VAL  18 -12.917 -17.670  -2.302
  140   HG12  VAL  18          HG12      VAL  18 -12.399 -18.928  -1.180
  141   HG13  VAL  18          3HG1      VAL  18 -11.668 -18.819  -2.781
  142   HG21  VAL  18          HG21      VAL  18 -10.837 -15.740   0.023
  143   HG22  VAL  18          HG22      VAL  18 -11.908 -17.057   0.504
  144   HG23  VAL  18          HG23      VAL  18 -12.434 -15.895  -0.713
  145    H    ALA  19           H        ALA  19  -8.204 -17.338  -2.677
  146    HA   ALA  19           HA       ALA  19  -8.534 -19.545  -4.447
  147    HB1  ALA  19           HB1      ALA  19  -6.882 -18.451  -5.850
  148    HB2  ALA  19           HB2      ALA  19  -6.467 -17.362  -4.526
  149    HB3  ALA  19           HB3      ALA  19  -8.068 -17.284  -5.261
  150    H    GLU  20           H        GLU  20  -5.992 -18.596  -2.190
  151    HA   GLU  20           HA       GLU  20  -4.601 -21.092  -2.793
  152    HB2  GLU  20           HB2      GLU  20  -3.540 -18.397  -1.998
  153    HB3  GLU  20           HB1      GLU  20  -2.575 -19.865  -1.981
  154    HG2  GLU  20           HG2      GLU  20  -3.931 -18.705  -4.401
  155    HG3  GLU  20           HG1      GLU  20  -2.219 -18.536  -4.006
  156    H    ARG  21           H        ARG  21  -4.142 -22.392  -1.110
  157    HA   ARG  21           HA       ARG  21  -4.962 -21.418   1.508
  158    HB2  ARG  21           HB2      ARG  21  -5.025 -23.766   2.251
  159    HB3  ARG  21           HB1      ARG  21  -6.067 -23.493   0.870
  160    HG2  ARG  21           HG2      ARG  21  -4.389 -24.512  -0.591
  161    HG3  ARG  21           HG1      ARG  21  -3.350 -24.786   0.812
  162    HD2  ARG  21           HD2      ARG  21  -6.131 -25.892   0.449
  163    HD3  ARG  21           HD1      ARG  21  -4.638 -26.800   0.218
  164    HE   ARG  21           HE       ARG  21  -4.215 -26.174   2.651
  165   HH11  ARG  21          HH11      ARG  21  -7.479 -26.769   1.377
  166   HH12  ARG  21          HH12      ARG  21  -8.088 -27.407   2.824
  167   HH21  ARG  21          HH21      ARG  21  -5.058 -26.997   4.644
  168   HH22  ARG  21          HH22      ARG  21  -6.684 -27.520   4.753
  169    H    GLY  22           H        GLY  22  -2.367 -21.606  -0.239
  170    HA2  GLY  22           HA2      GLY  22  -0.451 -22.510   1.711
  171    HA3  GLY  22           HA1      GLY  22  -0.075 -21.708   0.190
  172    H    VAL  23           H        VAL  23   0.721 -21.330   3.109
  173    HA   VAL  23           HA       VAL  23  -0.312 -18.771   3.807
  174    HB   VAL  23           HB       VAL  23   0.427 -20.323   5.568
  175   HG11  VAL  23          HG11      VAL  23   2.309 -21.378   4.505
  176   HG12  VAL  23          HG12      VAL  23   2.798 -20.695   6.055
  177   HG13  VAL  23          3HG1      VAL  23   3.219 -19.869   4.554
  178   HG21  VAL  23          HG21      VAL  23   2.008 -17.756   5.545
  179   HG22  VAL  23          HG22      VAL  23   1.698 -18.746   6.969
  180   HG23  VAL  23          HG23      VAL  23   0.357 -17.969   6.127
  181    H    GLU  24           H        GLU  24   2.574 -19.859   2.155
  182    HA   GLU  24           HA       GLU  24   3.883 -17.331   2.167
  183    HB2  GLU  24           HB2      GLU  24   4.286 -19.742   0.388
  184    HB3  GLU  24           HB1      GLU  24   5.316 -18.324   0.405
  185    HG2  GLU  24           HG2      GLU  24   4.844 -20.127   2.754
  186    HG3  GLU  24           HG1      GLU  24   6.246 -20.184   1.686
  187    H    GLN  25           H        GLN  25   1.605 -18.935   0.174
  188    HA   GLN  25           HA       GLN  25   1.721 -17.360  -2.156
  189    HB2  GLN  25           HB2      GLN  25  -0.561 -18.875  -0.894
  190    HB3  GLN  25           HB1      GLN  25  -0.623 -18.169  -2.502
  191    HG2  GLN  25           HG2      GLN  25   1.398 -20.222  -1.644
  192    HG3  GLN  25           HG1      GLN  25  -0.120 -20.601  -2.462
  193   HE21  GLN  25          1HE2      GLN  25  -0.351 -20.125  -4.565
  194   HE22  GLN  25          2HE2      GLN  25   0.913 -19.622  -5.621
  195    H    GLN  26           H        GLN  26  -0.433 -17.187   0.632
  196    HA   GLN  26           HA       GLN  26  -1.690 -14.729  -0.059
  197    HB2  GLN  26           HB2      GLN  26  -1.319 -16.109   2.594
  198    HB3  GLN  26           HB1      GLN  26  -2.402 -14.751   2.314
  199    HG2  GLN  26           HG2      GLN  26  -3.789 -16.065   0.899
  200    HG3  GLN  26           HG1      GLN  26  -2.612 -17.379   0.875
  201   HE21  GLN  26          1HE2      GLN  26  -4.202 -18.801   1.631
  202   HE22  GLN  26          2HE2      GLN  26  -4.628 -18.830   3.300
  203    H    ARG  27           H        ARG  27   1.221 -15.562   1.676
  204    HA   ARG  27           HA       ARG  27   1.676 -13.035   2.757
  205    HB2  ARG  27           HB2      ARG  27   2.727 -14.977   3.695
  206    HB3  ARG  27           HB1      ARG  27   3.549 -15.304   2.180
  207    HG2  ARG  27           HG2      ARG  27   5.034 -13.517   2.479
  208    HG3  ARG  27           HG1      ARG  27   4.040 -12.808   3.756
  209    HD2  ARG  27           HD2      ARG  27   5.295 -15.523   3.972
  210    HD3  ARG  27           HD1      ARG  27   6.091 -14.051   4.552
  211    HE   ARG  27           HE       ARG  27   3.836 -13.809   5.798
  212   HH11  ARG  27          HH11      ARG  27   5.487 -16.949   5.326
  213   HH12  ARG  27          HH12      ARG  27   5.059 -17.514   6.867
  214   HH21  ARG  27          HH21      ARG  27   3.220 -14.666   7.830
  215   HH22  ARG  27          HH22      ARG  27   3.753 -16.208   8.329
  216    H    LYS  28           H        LYS  28   2.622 -14.503  -0.324
  217    HA   LYS  28           HA       LYS  28   4.247 -12.371  -1.225
  218    HB2  LYS  28           HB2      LYS  28   2.475 -14.202  -2.874
  219    HB3  LYS  28           HB1      LYS  28   3.704 -13.140  -3.532
  220    HG2  LYS  28           HG2      LYS  28   4.170 -15.511  -1.733
  221    HG3  LYS  28           HG1      LYS  28   4.486 -15.431  -3.465
  222    HD2  LYS  28           HD2      LYS  28   6.127 -13.621  -3.032
  223    HD3  LYS  28           HD1      LYS  28   5.851 -13.830  -1.302
  224    HE2  LYS  28           HE2      LYS  28   6.939 -15.907  -3.207
  225    HE3  LYS  28           HE1      LYS  28   7.848 -15.012  -1.991
  226    HZ1  LYS  28           HZ1      LYS  28   7.339 -17.189  -1.193
  227    HZ2  LYS  28           HZ2      LYS  28   5.695 -16.981  -1.488
  228    HZ3  LYS  28           HZ3      LYS  28   6.464 -16.067  -0.288
  229    H    CYS  29           H        CYS  29   0.828 -13.022  -1.458
  230    HA   CYS  29           HA       CYS  29  -0.027 -10.838  -2.907
  231    HB2  CYS  29           HB2      CYS  29  -1.402 -12.312  -0.676
  232    HB3  CYS  29           HB1      CYS  29  -2.228 -11.226  -1.774
  233    H    GLU  30           H        GLU  30   0.289 -11.106   0.675
  234    HA   GLU  30           HA       GLU  30  -0.633  -8.498   1.102
  235    HB2  GLU  30           HB2      GLU  30   0.161  -8.679   3.387
  236    HB3  GLU  30           HB1      GLU  30  -0.603 -10.183   2.917
  237    HG2  GLU  30           HG2      GLU  30   1.609 -11.161   2.550
  238    HG3  GLU  30           HG1      GLU  30   2.342  -9.653   3.053
  239    H    GLN  31           H        GLN  31   2.624  -9.758   0.639
  240    HA   GLN  31           HA       GLN  31   4.007  -7.387   1.255
  241    HB2  GLN  31           HB2      GLN  31   4.773  -9.615  -0.605
  242    HB3  GLN  31           HB1      GLN  31   5.869  -8.352  -0.066
  243    HG2  GLN  31           HG2      GLN  31   5.655  -9.111   2.223
  244    HG3  GLN  31           HG1      GLN  31   4.483 -10.330   1.726
  245   HE21  GLN  31          1HE2      GLN  31   6.002 -10.872  -0.761
  246   HE22  GLN  31          2HE2      GLN  31   7.350 -11.811  -0.276
  247    H    VAL  32           H        VAL  32   2.853  -8.621  -1.871
  248    HA   VAL  32           HA       VAL  32   3.878  -6.527  -3.439
  249    HB   VAL  32           HB       VAL  32   1.452  -8.291  -3.956
  250   HG11  VAL  32          HG11      VAL  32   1.337  -6.252  -5.318
  251   HG12  VAL  32          HG12      VAL  32   1.678  -7.667  -6.313
  252   HG13  VAL  32          3HG1      VAL  32   2.976  -6.548  -5.900
  253   HG21  VAL  32          HG21      VAL  32   2.974  -9.539  -5.421
  254   HG22  VAL  32          HG22      VAL  32   3.534  -9.536  -3.749
  255   HG23  VAL  32          HG23      VAL  32   4.299  -8.481  -4.938
  256    H    CYS  33           H        CYS  33   0.672  -6.939  -1.979
  257    HA   CYS  33           HA       CYS  33  -0.238  -4.416  -2.861
  258    HB2  CYS  33           HB2      CYS  33  -1.292  -6.288  -0.743
  259    HB3  CYS  33           HB1      CYS  33  -2.121  -4.815  -1.232
  260    H    GLU  34           H        GLU  34   1.519  -5.449  -0.019
  261    HA   GLU  34           HA       GLU  34   1.047  -3.224   1.626
  262    HB2  GLU  34           HB2      GLU  34   2.162  -5.503   2.195
  263    HB3  GLU  34           HB1      GLU  34   3.615  -4.775   1.561
  264    HG2  GLU  34           HG2      GLU  34   3.642  -3.116   3.248
  265    HG3  GLU  34           HG1      GLU  34   2.034  -3.582   3.810
  266    H    GLU  35           H        GLU  35   3.292  -3.807  -0.980
  267    HA   GLU  35           HA       GLU  35   4.924  -1.548  -0.613
  268    HB2  GLU  35           HB2      GLU  35   4.167  -2.964  -3.165
  269    HB3  GLU  35           HB1      GLU  35   5.444  -1.765  -3.035
  270    HG2  GLU  35           HG2      GLU  35   6.597  -3.223  -1.429
  271    HG3  GLU  35           HG1      GLU  35   5.329  -4.427  -1.669
  272    H    ARG  36           H        ARG  36   1.827  -1.994  -2.137
  273    HA   ARG  36           HA       ARG  36   1.677   0.582  -3.388
  274    HB2  ARG  36           HB2      ARG  36   0.309  -1.558  -3.902
  275    HB3  ARG  36           HB1      ARG  36  -0.681  -1.076  -2.535
  276    HG2  ARG  36           HG2      ARG  36  -0.957   1.146  -3.702
  277    HG3  ARG  36           HG1      ARG  36  -0.274   0.359  -5.127
  278    HD2  ARG  36           HD2      ARG  36  -2.597   0.157  -5.372
  279    HD3  ARG  36           HD1      ARG  36  -2.065  -1.418  -4.782
  280    HE   ARG  36           HE       ARG  36  -2.680   0.044  -2.549
  281   HH11  ARG  36          HH11      ARG  36  -4.401  -1.346  -5.283
  282   HH12  ARG  36          HH12      ARG  36  -5.955  -1.122  -4.617
  283   HH21  ARG  36          HH21      ARG  36  -4.764   0.388  -1.627
  284   HH22  ARG  36          HH22      ARG  36  -6.189  -0.039  -2.475
  285    H    LEU  37           H        LEU  37   0.846  -0.815  -0.327
  286    HA   LEU  37           HA       LEU  37  -0.626   1.377   0.679
  287    HB2  LEU  37           HB2      LEU  37   0.522  -1.128   1.764
  288    HB3  LEU  37           HB1      LEU  37   0.155   0.109   2.935
  289    HG   LEU  37           HG       LEU  37  -1.632  -1.596   2.652
  290   HD11  LEU  37          HD11      LEU  37  -2.361   1.226   1.923
  291   HD12  LEU  37          HD12      LEU  37  -2.178   0.561   3.550
  292   HD13  LEU  37          HD13      LEU  37  -3.484  -0.001   2.506
  293   HD21  LEU  37          HD21      LEU  37  -1.958  -0.357  -0.079
  294   HD22  LEU  37          HD22      LEU  37  -3.108  -1.453   0.671
  295   HD23  LEU  37          HD23      LEU  37  -1.486  -2.019   0.264
  296    H    ARG  38           H        ARG  38   2.739   0.451   0.781
  297    HA   ARG  38           HA       ARG  38   3.566   2.608   2.410
  298    HB2  ARG  38           HB2      ARG  38   5.154   1.070   0.350
  299    HB3  ARG  38           HB1      ARG  38   5.845   2.168   1.538
  300    HG2  ARG  38           HG2      ARG  38   4.904   0.720   3.317
  301    HG3  ARG  38           HG1      ARG  38   4.413  -0.420   2.063
  302    HD2  ARG  38           HD2      ARG  38   7.218   0.478   2.686
  303    HD3  ARG  38           HD1      ARG  38   6.510  -1.086   3.073
  304    HE   ARG  38           HE       ARG  38   6.443  -0.476   0.282
  305   HH11  ARG  38          HH11      ARG  38   8.471  -1.741   2.885
  306   HH12  ARG  38          HH12      ARG  38   9.490  -2.642   1.853
  307   HH21  ARG  38          HH21      ARG  38   7.839  -1.702  -1.138
  308   HH22  ARG  38          HH22      ARG  38   9.112  -2.632  -0.480
  309    H    GLU  39           H        GLU  39   3.034   2.260  -1.037
  310    HA   GLU  39           HA       GLU  39   3.982   4.791  -1.832
  311    HB2  GLU  39           HB2      GLU  39   1.745   3.155  -3.021
  312    HB3  GLU  39           HB1      GLU  39   2.457   4.566  -3.779
  313    HG2  GLU  39           HG2      GLU  39   4.600   3.380  -3.888
  314    HG3  GLU  39           HG1      GLU  39   3.822   1.958  -3.187
  315    H    ARG  40           H        ARG  40   1.217   3.839  -0.077
  316    HA   ARG  40           HA       ARG  40  -0.185   6.278  -0.679
  317    HB2  ARG  40           HB2      ARG  40  -1.372   4.077  -0.330
  318    HB3  ARG  40           HB1      ARG  40  -0.951   4.196   1.374
  319    HG2  ARG  40           HG2      ARG  40  -3.229   4.935   0.952
  320    HG3  ARG  40           HG1      ARG  40  -2.226   6.258   1.559
  321    HD2  ARG  40           HD2      ARG  40  -1.914   7.087  -0.714
  322    HD3  ARG  40           HD1      ARG  40  -2.882   5.754  -1.345
  323    HE   ARG  40           HE       ARG  40  -4.579   6.887   0.299
  324   HH11  ARG  40          HH11      ARG  40  -2.266   8.488  -1.879
  325   HH12  ARG  40          HH12      ARG  40  -3.353   9.701  -2.355
  326   HH21  ARG  40          HH21      ARG  40  -6.047   8.625  -0.324
  327   HH22  ARG  40          HH22      ARG  40  -5.552   9.805  -1.449
  328    H    GLU  41           H        GLU  41   1.787   4.902   1.823
  329    HA   GLU  41           HA       GLU  41   1.522   7.077   3.680
  330    HB2  GLU  41           HB2      GLU  41   3.660   4.966   3.343
  331    HB3  GLU  41           HB1      GLU  41   3.565   6.076   4.703
  332    HG2  GLU  41           HG2      GLU  41   1.493   5.124   5.414
  333    HG3  GLU  41           HG1      GLU  41   1.408   4.126   3.962
  334    H    GLN  42           H        GLN  42   3.102   6.500   0.823
  335    HA   GLN  42           HA       GLN  42   5.094   8.610   0.942
  336    HB2  GLN  42           HB2      GLN  42   5.505   6.511  -0.268
  337    HB3  GLN  42           HB1      GLN  42   4.052   6.750  -1.208
  338    HG2  GLN  42           HG2      GLN  42   5.108   8.668  -2.322
  339    HG3  GLN  42           HG1      GLN  42   6.574   8.385  -1.383
  340   HE21  GLN  42          1HE2      GLN  42   6.358   5.471  -1.527
  341   HE22  GLN  42          2HE2      GLN  42   6.782   5.054  -3.142
  342    H    GLY  43           H        GLY  43   1.825   8.452   0.734
  343    HA2  GLY  43           HA2      GLY  43   0.254  10.041   0.226
  344    HA3  GLY  43           HA1      GLY  43   1.506  11.005  -0.566
  345    H    ARG  44           H        ARG  44   2.274  10.340  -2.566
  346    HA   ARG  44           HA       ARG  44   0.943   8.291  -4.051
  347    HB2  ARG  44           HB2      ARG  44   0.264   9.816  -5.823
  348    HB3  ARG  44           HB1      ARG  44  -0.540  10.244  -4.320
  349    HG2  ARG  44           HG2      ARG  44   1.202  12.002  -3.986
  350    HG3  ARG  44           HG1      ARG  44   1.788  11.634  -5.612
  351    HD2  ARG  44           HD2      ARG  44  -0.936  12.488  -4.825
  352    HD3  ARG  44           HD1      ARG  44   0.265  13.505  -5.641
  353    HE   ARG  44           HE       ARG  44   0.099  11.608  -7.406
  354   HH11  ARG  44          HH11      ARG  44  -2.650  12.952  -5.610
  355   HH12  ARG  44          HH12      ARG  44  -3.781  12.614  -6.834
  356   HH21  ARG  44          HH21      ARG  44  -1.451  11.103  -9.040
  357   HH22  ARG  44          HH22      ARG  44  -3.083  11.515  -8.831
  358    H    GLY  45           H        GLY  45   2.002   8.685  -6.437
  359    HA2  GLY  45           HA2      GLY  45   4.824   8.612  -5.904
  360    HA3  GLY  45           HA1      GLY  45   4.037   8.270  -7.442
  361    H    GLU  46           H        GLU  46   4.468  10.995  -5.239
  362    HA   GLU  46           HA       GLU  46   4.530  12.748  -7.526
  363    HB2  GLU  46           HB2      GLU  46   4.540  14.601  -5.787
  364    HB3  GLU  46           HB1      GLU  46   3.098  13.603  -5.847
  365    HG2  GLU  46           HG2      GLU  46   3.863  12.360  -3.893
  366    HG3  GLU  46           HG1      GLU  46   5.340  13.319  -3.852
  367    H    ASP  47           H        ASP  47   6.412  12.003  -8.324
  368    HA   ASP  47           HA       ASP  47   8.889  12.412  -6.855
  369    HB2  ASP  47           HB2      ASP  47   8.718  10.483  -8.324
  370    HB3  ASP  47           HB1      ASP  47   8.364  11.525  -9.696
  371    H    VAL  48           H        VAL  48   7.070  13.828  -9.442
  372    HA   VAL  48           HA       VAL  48   8.543  16.263  -9.088
  373    HB   VAL  48           HB       VAL  48   9.664  15.353 -11.035
  374   HG11  VAL  48          HG11      VAL  48   6.959  14.949 -12.294
  375   HG12  VAL  48          HG12      VAL  48   8.047  13.687 -11.722
  376   HG13  VAL  48          3HG1      VAL  48   8.513  14.697 -13.091
  377   HG21  VAL  48          HG21      VAL  48   9.158  17.044 -12.748
  378   HG22  VAL  48          HG22      VAL  48   9.190  17.744 -11.126
  379   HG23  VAL  48          HG23      VAL  48   7.651  17.419 -11.913
  380    H    ASP  49           H        ASP  49   7.029  17.425  -8.249
  381    HA   ASP  49           HA       ASP  49   4.351  17.370  -9.393
  382    HB2  ASP  49           HB2      ASP  49   4.449  17.120  -6.965
  383    HB3  ASP  49           HB1      ASP  49   5.372  18.608  -6.822
  Start of MODEL   14
    1    H    PCA   1           H        PGL   1 -15.701   7.149  -3.299
    2    HA   PCA   1           HA       PGL   1 -15.307   9.514  -2.386
    3    HB2  PCA   1           HB1      PGL   1 -17.145  10.402  -1.387
    4    HB3  PCA   1           HB2      PGL   1 -17.038   9.165  -0.104
    5    HG2  PCA   1           HG1      PGL   1 -18.907   9.291  -2.331
    6    HG3  PCA   1           HG2      PGL   1 -18.822   8.087  -1.000
    7    H    ARG   2           H        ARG   2 -15.466   6.337  -1.275
    8    HA   ARG   2           HA       ARG   2 -13.985   6.825   1.153
    9    HB2  ARG   2           HB2      ARG   2 -14.631   4.234  -0.265
   10    HB3  ARG   2           HB1      ARG   2 -13.879   4.359   1.315
   11    HG2  ARG   2           HG2      ARG   2 -15.891   5.455   2.184
   12    HG3  ARG   2           HG1      ARG   2 -16.648   5.305   0.599
   13    HD2  ARG   2           HD2      ARG   2 -15.703   3.030   2.331
   14    HD3  ARG   2           HD1      ARG   2 -17.377   3.540   2.132
   15    HE   ARG   2           HE       ARG   2 -16.356   3.015  -0.393
   16   HH11  ARG   2          HH11      ARG   2 -16.970   1.187   2.582
   17   HH12  ARG   2          HH12      ARG   2 -17.347  -0.274   1.784
   18   HH21  ARG   2          HH21      ARG   2 -16.819   0.977  -1.488
   19   HH22  ARG   2          HH22      ARG   2 -17.255  -0.388  -0.581
   20    H    GLY   3           H        GLY   3 -11.831   6.366   1.454
   21    HA2  GLY   3           HA2      GLY   3 -10.284   5.587  -0.894
   22    HA3  GLY   3           HA1      GLY   3  -9.925   7.129  -0.128
   23    H    SER   4           H        SER   4 -10.911   4.251   1.583
   24    HA   SER   4           HA       SER   4  -8.675   4.404   3.316
   25    HB2  SER   4           HB2      SER   4 -10.691   3.515   4.228
   26    HB3  SER   4           HB1      SER   4 -10.790   2.255   2.986
   27    HG   SER   4           HG       SER   4  -9.742   2.067   5.333
   28    HA   PRO   5           HA       PRO   5  -5.937   2.105   0.661
   29    HB2  PRO   5           HB2      PRO   5  -3.806   2.111   2.342
   30    HB3  PRO   5           HB1      PRO   5  -4.280   3.525   1.392
   31    HG2  PRO   5           HG2      PRO   5  -4.807   2.914   4.261
   32    HG3  PRO   5           HG1      PRO   5  -4.316   4.445   3.515
   33    HD2  PRO   5           HD2      PRO   5  -6.870   3.894   4.228
   34    HD3  PRO   5           HD1      PRO   5  -6.457   4.953   2.861
   35    H    ARG   6           H        ARG   6  -6.825   1.353   3.955
   36    HA   ARG   6           HA       ARG   6  -5.485  -1.170   3.743
   37    HB2  ARG   6           HB2      ARG   6  -5.442   0.028   5.928
   38    HB3  ARG   6           HB1      ARG   6  -7.174  -0.266   6.084
   39    HG2  ARG   6           HG2      ARG   6  -6.831  -2.640   6.083
   40    HG3  ARG   6           HG1      ARG   6  -5.116  -2.436   5.761
   41    HD2  ARG   6           HD2      ARG   6  -4.885  -1.341   7.963
   42    HD3  ARG   6           HD1      ARG   6  -6.599  -1.650   8.262
   43    HE   ARG   6           HE       ARG   6  -5.608  -4.064   7.546
   44   HH11  ARG   6          HH11      ARG   6  -4.866  -1.795  10.156
   45   HH12  ARG   6          HH12      ARG   6  -4.217  -2.974  11.197
   46   HH21  ARG   6          HH21      ARG   6  -4.739  -5.672   8.963
   47   HH22  ARG   6          HH22      ARG   6  -4.169  -5.253  10.504
   48    H    ALA   7           H        ALA   7  -8.683   0.068   3.384
   49    HA   ALA   7           HA       ALA   7 -10.180  -2.278   3.554
   50    HB1  ALA   7           HB1      ALA   7 -11.758  -1.199   2.030
   51    HB2  ALA   7           HB2      ALA   7 -10.524  -0.023   1.578
   52    HB3  ALA   7           HB3      ALA   7 -11.156  -0.044   3.222
   53    H    GLU   8           H        GLU   8  -8.420  -0.905   0.831
   54    HA   GLU   8           HA       GLU   8  -8.933  -2.930  -1.066
   55    HB2  GLU   8           HB2      GLU   8  -6.480  -1.193  -0.852
   56    HB3  GLU   8           HB1      GLU   8  -7.098  -1.963  -2.299
   57    HG2  GLU   8           HG2      GLU   8  -9.087  -0.534  -2.182
   58    HG3  GLU   8           HG1      GLU   8  -8.403   0.269  -0.767
   59    H    TYR   9           H        TYR   9  -6.377  -2.366   1.257
   60    HA   TYR   9           HA       TYR   9  -4.570  -4.389   0.609
   61    HB2  TYR   9           HB2      TYR   9  -4.070  -2.495   2.039
   62    HB3  TYR   9           HB1      TYR   9  -5.210  -3.082   3.239
   63    HD1  TYR   9           HD1      TYR   9  -4.668  -5.081   4.566
   64    HD2  TYR   9           HD2      TYR   9  -1.843  -3.314   1.934
   65    HE1  TYR   9           HE1      TYR   9  -2.938  -6.252   5.720
   66    HE2  TYR   9           HE2      TYR   9  -0.038  -4.474   3.057
   67    HH   TYR   9           HH       TYR   9   0.405  -5.479   5.302
   68    H    GLU  10           H        GLU  10  -7.192  -4.390   3.029
   69    HA   GLU  10           HA       GLU  10  -6.789  -6.985   3.970
   70    HB2  GLU  10           HB2      GLU  10  -9.412  -5.489   3.819
   71    HB3  GLU  10           HB1      GLU  10  -9.016  -6.898   4.815
   72    HG2  GLU  10           HG2      GLU  10  -7.671  -4.245   5.075
   73    HG3  GLU  10           HG1      GLU  10  -9.066  -4.730   6.030
   74    H    VAL  11           H        VAL  11  -8.992  -5.775   1.440
   75    HA   VAL  11           HA       VAL  11 -10.108  -8.253   0.726
   76    HB   VAL  11           HB       VAL  11  -9.671  -5.802  -1.019
   77   HG11  VAL  11          HG11      VAL  11 -10.066  -7.788  -2.408
   78   HG12  VAL  11          HG12      VAL  11 -11.451  -6.697  -2.455
   79   HG13  VAL  11          3HG1      VAL  11 -11.513  -8.158  -1.470
   80   HG21  VAL  11          HG21      VAL  11 -12.079  -6.731   0.532
   81   HG22  VAL  11          HG22      VAL  11 -11.995  -5.308  -0.510
   82   HG23  VAL  11          HG23      VAL  11 -11.023  -5.383   0.957
   83    H    CYS  12           H        CYS  12  -7.275  -6.588  -0.426
   84    HA   CYS  12           HA       CYS  12  -6.372  -8.158  -2.484
   85    HB2  CYS  12           HB2      CYS  12  -5.345  -6.057  -1.825
   86    HB3  CYS  12           HB1      CYS  12  -4.828  -6.757  -0.305
   87    H    ARG  13           H        ARG  13  -5.684  -8.568   0.987
   88    HA   ARG  13           HA       ARG  13  -4.290 -11.024   0.447
   89    HB2  ARG  13           HB2      ARG  13  -3.826 -11.124   2.822
   90    HB3  ARG  13           HB1      ARG  13  -3.498  -9.509   2.219
   91    HG2  ARG  13           HG2      ARG  13  -5.721  -8.811   3.133
   92    HG3  ARG  13           HG1      ARG  13  -5.846 -10.407   3.873
   93    HD2  ARG  13           HD2      ARG  13  -3.744  -8.313   4.399
   94    HD3  ARG  13           HD1      ARG  13  -5.003  -8.857   5.505
   95    HE   ARG  13           HE       ARG  13  -3.552 -11.100   4.840
   96   HH11  ARG  13          HH11      ARG  13  -2.961  -8.060   6.550
   97   HH12  ARG  13          HH12      ARG  13  -1.603  -8.648   7.384
   98   HH21  ARG  13          HH21      ARG  13  -1.697 -11.891   6.011
   99   HH22  ARG  13          HH22      ARG  13  -0.871 -10.864   7.085
  100    H    LEU  14           H        LEU  14  -7.457 -10.068   1.475
  101    HA   LEU  14           HA       LEU  14  -8.397 -12.466   2.541
  102    HB2  LEU  14           HB2      LEU  14  -9.589 -10.335   2.746
  103    HB3  LEU  14           HB1      LEU  14  -9.895 -10.338   1.025
  104    HG   LEU  14           HG       LEU  14 -11.358 -12.294   1.273
  105   HD11  LEU  14          HD11      LEU  14 -10.812 -11.997   4.222
  106   HD12  LEU  14          HD12      LEU  14 -10.307 -13.345   3.200
  107   HD13  LEU  14          HD13      LEU  14 -12.019 -13.059   3.503
  108   HD21  LEU  14          HD21      LEU  14 -12.029 -10.028   3.146
  109   HD22  LEU  14          HD22      LEU  14 -13.182 -11.162   2.443
  110   HD23  LEU  14          HD23      LEU  14 -12.299 -10.043   1.405
  111    H    ARG  15           H        ARG  15  -8.468 -11.259  -0.803
  112    HA   ARG  15           HA       ARG  15  -9.781 -13.377  -2.033
  113    HB2  ARG  15           HB2      ARG  15  -7.450 -11.772  -3.095
  114    HB3  ARG  15           HB1      ARG  15  -8.374 -12.900  -4.065
  115    HG2  ARG  15           HG2      ARG  15 -10.379 -11.526  -3.717
  116    HG3  ARG  15           HG1      ARG  15  -9.409 -10.382  -2.779
  117    HD2  ARG  15           HD2      ARG  15  -7.979  -9.985  -4.710
  118    HD3  ARG  15           HD1      ARG  15  -8.890 -11.162  -5.648
  119    HE   ARG  15           HE       ARG  15 -10.697  -9.280  -4.743
  120   HH11  ARG  15          HH11      ARG  15  -7.898  -9.345  -6.926
  121   HH12  ARG  15          HH12      ARG  15  -8.470  -8.068  -7.902
  122   HH21  ARG  15          HH21      ARG  15 -11.451  -7.526  -6.075
  123   HH22  ARG  15          HH22      ARG  15 -10.503  -6.983  -7.382
  124    H    CYS  16           H        CYS  16  -6.367 -13.036  -1.310
  125    HA   CYS  16           HA       CYS  16  -5.633 -15.538  -2.355
  126    HB2  CYS  16           HB2      CYS  16  -4.202 -13.741  -0.425
  127    HB3  CYS  16           HB1      CYS  16  -3.497 -15.158  -1.198
  128    H    GLN  17           H        GLN  17  -6.727 -14.534   0.843
  129    HA   GLN  17           HA       GLN  17  -5.931 -16.982   2.064
  130    HB2  GLN  17           HB2      GLN  17  -7.892 -14.893   2.999
  131    HB3  GLN  17           HB1      GLN  17  -7.443 -16.306   3.938
  132    HG2  GLN  17           HG2      GLN  17  -5.086 -15.531   3.861
  133    HG3  GLN  17           HG1      GLN  17  -5.649 -14.058   3.071
  134   HE21  GLN  17          1HE2      GLN  17  -6.878 -12.595   4.249
  135   HE22  GLN  17          2HE2      GLN  17  -6.930 -12.620   5.970
  136    H    VAL  18           H        VAL  18  -8.692 -15.969   0.304
  137    HA   VAL  18           HA       VAL  18 -10.245 -18.265   1.065
  138    HB   VAL  18           HB       VAL  18 -10.642 -16.338  -1.256
  139   HG11  VAL  18          HG11      VAL  18 -12.938 -17.192  -1.346
  140   HG12  VAL  18          HG12      VAL  18 -12.554 -18.354  -0.075
  141   HG13  VAL  18          3HG1      VAL  18 -11.763 -18.476  -1.644
  142   HG21  VAL  18          HG21      VAL  18 -12.396 -15.348   0.158
  143   HG22  VAL  18          HG22      VAL  18 -10.793 -15.203   0.876
  144   HG23  VAL  18          HG23      VAL  18 -11.918 -16.420   1.474
  145    H    ALA  19           H        ALA  19  -8.401 -17.243  -1.757
  146    HA   ALA  19           HA       ALA  19  -8.801 -19.582  -3.286
  147    HB1  ALA  19           HB1      ALA  19  -6.993 -18.726  -4.692
  148    HB2  ALA  19           HB2      ALA  19  -6.564 -17.565  -3.438
  149    HB3  ALA  19           HB3      ALA  19  -8.120 -17.440  -4.256
  150    H    GLU  20           H        GLU  20  -6.080 -18.561  -1.242
  151    HA   GLU  20           HA       GLU  20  -4.918 -21.264  -1.435
  152    HB2  GLU  20           HB2      GLU  20  -3.554 -18.614  -0.949
  153    HB3  GLU  20           HB1      GLU  20  -2.765 -20.168  -1.083
  154    HG2  GLU  20           HG2      GLU  20  -4.220 -18.722  -3.290
  155    HG3  GLU  20           HG1      GLU  20  -2.474 -18.799  -3.081
  156    H    ARG  21           H        ARG  21  -4.152 -22.096   0.588
  157    HA   ARG  21           HA       ARG  21  -4.589 -20.301   2.837
  158    HB2  ARG  21           HB2      ARG  21  -5.255 -22.140   4.281
  159    HB3  ARG  21           HB1      ARG  21  -6.312 -22.042   2.893
  160    HG2  ARG  21           HG2      ARG  21  -5.225 -23.971   1.906
  161    HG3  ARG  21           HG1      ARG  21  -4.088 -24.038   3.261
  162    HD2  ARG  21           HD2      ARG  21  -7.086 -24.353   3.408
  163    HD3  ARG  21           HD1      ARG  21  -5.886 -25.627   3.642
  164    HE   ARG  21           HE       ARG  21  -5.103 -24.017   5.521
  165   HH11  ARG  21          HH11      ARG  21  -8.444 -24.943   4.772
  166   HH12  ARG  21          HH12      ARG  21  -9.057 -24.502   6.296
  167   HH21  ARG  21          HH21      ARG  21  -5.963 -23.414   7.621
  168   HH22  ARG  21          HH22      ARG  21  -7.619 -23.643   7.954
  169    H    GLY  22           H        GLY  22  -2.327 -21.129   1.079
  170    HA2  GLY  22           HA2      GLY  22  -0.439 -22.230   2.966
  171    HA3  GLY  22           HA1      GLY  22  -0.119 -21.742   1.304
  172    H    VAL  23           H        VAL  23   1.134 -21.099   3.959
  173    HA   VAL  23           HA       VAL  23   0.545 -18.479   4.757
  174    HB   VAL  23           HB       VAL  23   3.207 -19.885   5.058
  175   HG11  VAL  23          HG11      VAL  23   3.284 -17.543   5.633
  176   HG12  VAL  23          HG12      VAL  23   3.424 -18.535   7.084
  177   HG13  VAL  23          3HG1      VAL  23   1.897 -17.740   6.702
  178   HG21  VAL  23          HG21      VAL  23   2.378 -20.737   7.199
  179   HG22  VAL  23          HG22      VAL  23   1.419 -21.352   5.852
  180   HG23  VAL  23          HG23      VAL  23   0.793 -20.047   6.860
  181    H    GLU  24           H        GLU  24   3.177 -19.698   2.704
  182    HA   GLU  24           HA       GLU  24   4.397 -17.210   2.243
  183    HB2  GLU  24           HB2      GLU  24   4.450 -19.716   0.584
  184    HB3  GLU  24           HB1      GLU  24   5.486 -18.325   0.305
  185    HG2  GLU  24           HG2      GLU  24   5.412 -19.954   2.823
  186    HG3  GLU  24           HG1      GLU  24   6.598 -20.134   1.533
  187    H    GLN  25           H        GLN  25   1.934 -18.935   0.429
  188    HA   GLN  25           HA       GLN  25   1.820 -17.232  -1.807
  189    HB2  GLN  25           HB2      GLN  25  -0.376 -18.875  -0.546
  190    HB3  GLN  25           HB1      GLN  25  -0.516 -18.069  -2.098
  191    HG2  GLN  25           HG2      GLN  25   1.450 -20.249  -1.416
  192    HG3  GLN  25           HG1      GLN  25  -0.028 -20.433  -2.360
  193   HE21  GLN  25          1HE2      GLN  25   3.230 -19.314  -2.338
  194   HE22  GLN  25          2HE2      GLN  25   3.335 -18.986  -4.031
  195    H    GLN  26           H        GLN  26   0.023 -17.133   1.225
  196    HA   GLN  26           HA       GLN  26  -1.516 -14.807   0.549
  197    HB2  GLN  26           HB2      GLN  26  -0.873 -15.941   3.277
  198    HB3  GLN  26           HB1      GLN  26  -2.198 -14.856   2.873
  199    HG2  GLN  26           HG2      GLN  26  -3.259 -16.561   1.546
  200    HG3  GLN  26           HG1      GLN  26  -1.889 -17.642   1.781
  201   HE21  GLN  26          1HE2      GLN  26  -4.611 -18.183   2.412
  202   HE22  GLN  26          2HE2      GLN  26  -4.707 -18.388   4.119
  203    H    ARG  27           H        ARG  27   1.537 -15.376   2.173
  204    HA   ARG  27           HA       ARG  27   1.991 -12.782   3.080
  205    HB2  ARG  27           HB2      ARG  27   3.885 -14.978   2.322
  206    HB3  ARG  27           HB1      ARG  27   4.460 -13.409   2.862
  207    HG2  ARG  27           HG2      ARG  27   3.273 -13.682   4.950
  208    HG3  ARG  27           HG1      ARG  27   2.682 -15.258   4.418
  209    HD2  ARG  27           HD2      ARG  27   4.893 -16.144   4.348
  210    HD3  ARG  27           HD1      ARG  27   5.596 -14.547   4.608
  211    HE   ARG  27           HE       ARG  27   4.047 -14.880   6.754
  212   HH11  ARG  27          HH11      ARG  27   6.373 -17.147   5.310
  213   HH12  ARG  27          HH12      ARG  27   7.051 -17.622   6.784
  214   HH21  ARG  27          HH21      ARG  27   4.936 -15.587   8.807
  215   HH22  ARG  27          HH22      ARG  27   6.198 -16.720   8.855
  216    H    LYS  28           H        LYS  28   2.800 -14.294  -0.004
  217    HA   LYS  28           HA       LYS  28   4.141 -12.065  -1.059
  218    HB2  LYS  28           HB2      LYS  28   2.612 -14.212  -2.543
  219    HB3  LYS  28           HB1      LYS  28   3.730 -13.071  -3.286
  220    HG2  LYS  28           HG2      LYS  28   5.543 -13.964  -1.897
  221    HG3  LYS  28           HG1      LYS  28   4.420 -15.130  -1.207
  222    HD2  LYS  28           HD2      LYS  28   4.059 -16.074  -3.435
  223    HD3  LYS  28           HD1      LYS  28   5.219 -14.921  -4.105
  224    HE2  LYS  28           HE2      LYS  28   6.939 -15.846  -2.565
  225    HE3  LYS  28           HE1      LYS  28   5.772 -17.062  -2.054
  226    HZ1  LYS  28           HZ1      LYS  28   6.808 -16.696  -4.802
  227    HZ2  LYS  28           HZ2      LYS  28   5.697 -17.882  -4.341
  228    HZ3  LYS  28           HZ3      LYS  28   7.264 -17.912  -3.731
  229    H    CYS  29           H        CYS  29   0.801 -12.934  -0.953
  230    HA   CYS  29           HA       CYS  29  -0.221 -10.859  -2.535
  231    HB2  CYS  29           HB2      CYS  29  -1.401 -12.532  -0.360
  232    HB3  CYS  29           HB1      CYS  29  -2.374 -11.395  -1.263
  233    H    GLU  30           H        GLU  30   0.284 -11.062   1.029
  234    HA   GLU  30           HA       GLU  30  -0.827  -8.516   1.468
  235    HB2  GLU  30           HB2      GLU  30   0.031  -8.626   3.720
  236    HB3  GLU  30           HB1      GLU  30  -0.496 -10.241   3.294
  237    HG2  GLU  30           HG2      GLU  30   1.856 -10.849   2.847
  238    HG3  GLU  30           HG1      GLU  30   2.338  -9.239   3.339
  239    H    GLN  31           H        GLN  31   2.412  -9.632   0.727
  240    HA   GLN  31           HA       GLN  31   3.706  -7.210   1.201
  241    HB2  GLN  31           HB2      GLN  31   4.527  -9.459  -0.624
  242    HB3  GLN  31           HB1      GLN  31   5.551  -8.081  -0.245
  243    HG2  GLN  31           HG2      GLN  31   4.530 -10.183   1.659
  244    HG3  GLN  31           HG1      GLN  31   6.195  -9.927   1.140
  245   HE21  GLN  31          1HE2      GLN  31   6.012  -7.016   1.348
  246   HE22  GLN  31          2HE2      GLN  31   5.935  -6.643   3.028
  247    H    VAL  32           H        VAL  32   2.346  -8.446  -1.837
  248    HA   VAL  32           HA       VAL  32   3.243  -6.375  -3.498
  249    HB   VAL  32           HB       VAL  32   0.655  -7.966  -3.729
  250   HG11  VAL  32          HG11      VAL  32   0.489  -5.924  -5.063
  251   HG12  VAL  32          HG12      VAL  32   0.646  -7.338  -6.105
  252   HG13  VAL  32          3HG1      VAL  32   2.035  -6.288  -5.831
  253   HG21  VAL  32          HG21      VAL  32   3.343  -8.327  -5.039
  254   HG22  VAL  32          HG22      VAL  32   1.897  -9.265  -5.397
  255   HG23  VAL  32          HG23      VAL  32   2.632  -9.357  -3.796
  256    H    CYS  33           H        CYS  33   0.377  -6.534  -1.492
  257    HA   CYS  33           HA       CYS  33  -0.404  -3.917  -2.330
  258    HB2  CYS  33           HB2      CYS  33  -1.618  -5.877  -0.421
  259    HB3  CYS  33           HB1      CYS  33  -2.272  -4.252  -0.621
  260    H    GLU  34           H        GLU  34   1.305  -5.245   0.397
  261    HA   GLU  34           HA       GLU  34   1.203  -2.992   2.082
  262    HB2  GLU  34           HB2      GLU  34   2.017  -5.164   2.878
  263    HB3  GLU  34           HB1      GLU  34   3.353  -5.093   1.742
  264    HG2  GLU  34           HG2      GLU  34   4.269  -3.167   2.920
  265    HG3  GLU  34           HG1      GLU  34   2.918  -3.220   4.048
  266    H    GLU  35           H        GLU  35   3.355  -3.944  -0.523
  267    HA   GLU  35           HA       GLU  35   5.168  -1.807  -0.223
  268    HB2  GLU  35           HB2      GLU  35   4.617  -3.492  -2.660
  269    HB3  GLU  35           HB1      GLU  35   5.993  -2.413  -2.459
  270    HG2  GLU  35           HG2      GLU  35   6.681  -3.737  -0.492
  271    HG3  GLU  35           HG1      GLU  35   5.375  -4.868  -0.840
  272    H    ARG  36           H        ARG  36   2.156  -2.110  -1.862
  273    HA   ARG  36           HA       ARG  36   2.439   0.352  -3.326
  274    HB2  ARG  36           HB2      ARG  36   0.860  -1.494  -4.006
  275    HB3  ARG  36           HB1      ARG  36  -0.125  -1.100  -2.605
  276    HG2  ARG  36           HG2      ARG  36  -0.512   1.142  -3.490
  277    HG3  ARG  36           HG1      ARG  36   0.495   0.768  -4.886
  278    HD2  ARG  36           HD2      ARG  36  -1.734   0.512  -5.602
  279    HD3  ARG  36           HD1      ARG  36  -1.101  -1.114  -5.381
  280    HE   ARG  36           HE       ARG  36  -2.533  -0.016  -3.126
  281   HH11  ARG  36          HH11      ARG  36  -2.693  -2.065  -5.997
  282   HH12  ARG  36          HH12      ARG  36  -4.222  -2.711  -5.677
  283   HH21  ARG  36          HH21      ARG  36  -4.770  -0.871  -2.685
  284   HH22  ARG  36          HH22      ARG  36  -5.403  -2.031  -3.743
  285    H    LEU  37           H        LEU  37   1.152  -0.699  -0.259
  286    HA   LEU  37           HA       LEU  37  -0.086   1.750   0.337
  287    HB2  LEU  37           HB2      LEU  37   0.636  -0.536   2.084
  288    HB3  LEU  37           HB1      LEU  37  -0.131   0.893   2.716
  289    HG   LEU  37           HG       LEU  37  -1.229  -1.296   1.066
  290   HD11  LEU  37          HD11      LEU  37  -1.591  -1.222   3.394
  291   HD12  LEU  37          HD12      LEU  37  -3.135  -0.838   2.578
  292   HD13  LEU  37          HD13      LEU  37  -2.140   0.448   3.276
  293   HD21  LEU  37          HD21      LEU  37  -3.152   0.104   0.374
  294   HD22  LEU  37          HD22      LEU  37  -1.654   0.573  -0.417
  295   HD23  LEU  37          HD23      LEU  37  -2.282   1.544   0.920
  296    H    ARG  38           H        ARG  38   3.128   0.552   0.901
  297    HA   ARG  38           HA       ARG  38   4.107   2.254   2.890
  298    HB2  ARG  38           HB2      ARG  38   5.531   1.704   0.307
  299    HB3  ARG  38           HB1      ARG  38   6.274   2.164   1.819
  300    HG2  ARG  38           HG2      ARG  38   5.637   0.010   2.766
  301    HG3  ARG  38           HG1      ARG  38   4.910  -0.443   1.223
  302    HD2  ARG  38           HD2      ARG  38   7.814   0.180   1.768
  303    HD3  ARG  38           HD1      ARG  38   7.128  -1.383   1.325
  304    HE   ARG  38           HE       ARG  38   6.820   0.827  -0.576
  305   HH11  ARG  38          HH11      ARG  38   8.529  -2.179   0.228
  306   HH12  ARG  38          HH12      ARG  38   9.158  -2.378  -1.332
  307   HH21  ARG  38          HH21      ARG  38   7.696   0.541  -2.698
  308   HH22  ARG  38          HH22      ARG  38   8.658  -0.806  -3.024
  309    H    GLU  39           H        GLU  39   3.718   2.735  -0.515
  310    HA   GLU  39           HA       GLU  39   4.894   5.290  -0.742
  311    HB2  GLU  39           HB2      GLU  39   2.882   4.092  -2.619
  312    HB3  GLU  39           HB1      GLU  39   4.210   5.177  -2.990
  313    HG2  GLU  39           HG2      GLU  39   4.410   2.270  -2.216
  314    HG3  GLU  39           HG1      GLU  39   4.721   2.969  -3.797
  315    H    ARG  40           H        ARG  40   1.700   4.138   0.087
  316    HA   ARG  40           HA       ARG  40   0.545   6.715  -0.528
  317    HB2  ARG  40           HB2      ARG  40  -0.499   4.513  -1.154
  318    HB3  ARG  40           HB1      ARG  40  -0.820   4.284   0.556
  319    HG2  ARG  40           HG2      ARG  40  -2.189   6.259   0.605
  320    HG3  ARG  40           HG1      ARG  40  -1.808   6.589  -1.088
  321    HD2  ARG  40           HD2      ARG  40  -3.224   4.165  -0.031
  322    HD3  ARG  40           HD1      ARG  40  -3.964   5.530  -0.887
  323    HE   ARG  40           HE       ARG  40  -2.022   4.583  -2.553
  324   HH11  ARG  40          HH11      ARG  40  -4.938   3.280  -1.091
  325   HH12  ARG  40          HH12      ARG  40  -5.223   2.097  -2.280
  326   HH21  ARG  40          HH21      ARG  40  -2.354   3.056  -4.213
  327   HH22  ARG  40          HH22      ARG  40  -3.714   2.022  -4.185
  328    H    GLU  41           H        GLU  41   1.403   4.710   2.215
  329    HA   GLU  41           HA       GLU  41   0.103   6.499   4.037
  330    HB2  GLU  41           HB2      GLU  41   1.038   5.119   5.834
  331    HB3  GLU  41           HB1      GLU  41   0.223   4.141   4.631
  332    HG2  GLU  41           HG2      GLU  41   2.410   3.553   3.671
  333    HG3  GLU  41           HG1      GLU  41   3.190   4.493   4.944
  334    H    GLN  42           H        GLN  42   3.389   5.997   2.888
  335    HA   GLN  42           HA       GLN  42   4.273   8.190   4.576
  336    HB2  GLN  42           HB2      GLN  42   5.813   6.458   2.627
  337    HB3  GLN  42           HB1      GLN  42   6.524   7.700   3.650
  338    HG2  GLN  42           HG2      GLN  42   5.144   5.186   4.574
  339    HG3  GLN  42           HG1      GLN  42   6.871   5.515   4.623
  340   HE21  GLN  42          1HE2      GLN  42   6.609   8.260   5.522
  341   HE22  GLN  42          2HE2      GLN  42   6.070   8.205   7.150
  342    H    GLY  43           H        GLY  43   2.494   8.108   2.115
  343    HA2  GLY  43           HA2      GLY  43   3.580  10.571   0.959
  344    HA3  GLY  43           HA1      GLY  43   2.908   9.303  -0.076
  345    H    ARG  44           H        ARG  44   1.734  10.012   3.078
  346    HA   ARG  44           HA       ARG  44  -0.937  10.222   2.165
  347    HB2  ARG  44           HB2      ARG  44  -0.242   9.239   4.349
  348    HB3  ARG  44           HB1      ARG  44   0.231  10.843   4.882
  349    HG2  ARG  44           HG2      ARG  44  -1.910  10.325   5.797
  350    HG3  ARG  44           HG1      ARG  44  -2.116  11.577   4.566
  351    HD2  ARG  44           HD2      ARG  44  -2.710   9.792   2.949
  352    HD3  ARG  44           HD1      ARG  44  -2.606   8.640   4.279
  353    HE   ARG  44           HE       ARG  44  -4.377  10.873   4.673
  354   HH11  ARG  44          HH11      ARG  44  -4.108   7.472   3.673
  355   HH12  ARG  44          HH12      ARG  44  -5.770   7.167   3.876
  356   HH21  ARG  44          HH21      ARG  44  -6.606  10.416   4.932
  357   HH22  ARG  44          HH22      ARG  44  -7.233   8.862   4.605
  358    H    GLY  45           H        GLY  45   1.413  12.399   3.544
  359    HA2  GLY  45           HA2      GLY  45   0.913  14.629   2.094
  360    HA3  GLY  45           HA1      GLY  45  -0.275  14.705   3.394
  361    H    GLU  46           H        GLU  46   3.103  14.044   2.838
  362    HA   GLU  46           HA       GLU  46   3.741  14.475   5.563
  363    HB2  GLU  46           HB2      GLU  46   5.703  14.341   3.287
  364    HB3  GLU  46           HB1      GLU  46   5.994  13.990   4.980
  365    HG2  GLU  46           HG2      GLU  46   4.390  12.352   3.027
  366    HG3  GLU  46           HG1      GLU  46   5.896  11.914   3.822
  367    H    ASP  47           H        ASP  47   3.556  16.421   2.818
  368    HA   ASP  47           HA       ASP  47   4.820  18.609   4.285
  369    HB2  ASP  47           HB2      ASP  47   4.349  18.304   1.324
  370    HB3  ASP  47           HB1      ASP  47   4.728  19.862   2.052
  371    H    VAL  48           H        VAL  48   1.929  17.885   2.417
  372    HA   VAL  48           HA       VAL  48   0.658  19.965   4.008
  373    HB   VAL  48           HB       VAL  48  -1.085  20.205   2.192
  374   HG11  VAL  48          HG11      VAL  48   0.311  21.600   0.731
  375   HG12  VAL  48          HG12      VAL  48   1.755  20.863   1.425
  376   HG13  VAL  48          3HG1      VAL  48   0.691  21.841   2.436
  377   HG21  VAL  48          HG21      VAL  48  -0.518  19.456  -0.080
  378   HG22  VAL  48          HG22      VAL  48  -0.710  18.089   1.020
  379   HG23  VAL  48          HG23      VAL  48   0.904  18.626   0.553
  380    H    ASP  49           H        ASP  49  -0.531  19.223   5.539
  381    HA   ASP  49           HA       ASP  49  -2.008  16.748   5.061
  382    HB2  ASP  49           HB2      ASP  49  -0.192  16.360   6.685
  383    HB3  ASP  49           HB1      ASP  49  -0.816  17.661   7.694
  Start of MODEL   15
    1    H    PCA   1           H        PGL   1 -16.409   0.537   3.574
    2    HA   PCA   1           HA       PGL   1 -15.201   2.786   2.978
    3    HB2  PCA   1           HB1      PGL   1 -13.275   3.084   4.150
    4    HB3  PCA   1           HB2      PGL   1 -12.633   1.536   3.527
    5    HG2  PCA   1           HG1      PGL   1 -13.714   2.080   6.161
    6    HG3  PCA   1           HG2      PGL   1 -13.091   0.525   5.509
    7    H    ARG   2           H        ARG   2 -15.009   2.797   0.892
    8    HA   ARG   2           HA       ARG   2 -14.007   0.396  -0.469
    9    HB2  ARG   2           HB2      ARG   2 -15.807   2.557  -1.581
   10    HB3  ARG   2           HB1      ARG   2 -15.282   1.110  -2.413
   11    HG2  ARG   2           HG2      ARG   2 -16.552  -0.272  -0.878
   12    HG3  ARG   2           HG1      ARG   2 -17.051   1.164   0.023
   13    HD2  ARG   2           HD2      ARG   2 -17.693   0.521  -2.851
   14    HD3  ARG   2           HD1      ARG   2 -18.810   0.470  -1.487
   15    HE   ARG   2           HE       ARG   2 -17.699   3.006  -1.588
   16   HH11  ARG   2          HH11      ARG   2 -19.932   1.012  -3.461
   17   HH12  ARG   2          HH12      ARG   2 -20.703   2.313  -4.232
   18   HH21  ARG   2          HH21      ARG   2 -18.717   4.823  -2.665
   19   HH22  ARG   2          HH22      ARG   2 -20.003   4.551  -3.757
   20    H    GLY   3           H        GLY   3 -12.237   0.659  -1.718
   21    HA2  GLY   3           HA2      GLY   3 -10.601   1.684  -2.950
   22    HA3  GLY   3           HA1      GLY   3 -11.523   3.177  -2.873
   23    H    SER   4           H        SER   4 -11.115   2.085   0.207
   24    HA   SER   4           HA       SER   4  -9.045   4.024   0.656
   25    HB2  SER   4           HB2      SER   4 -10.731   2.431   2.591
   26    HB3  SER   4           HB1      SER   4  -9.641   3.756   3.028
   27    HG   SER   4           HG       SER   4 -10.882   4.952   1.398
   28    HA   PRO   5           HA       PRO   5  -5.567   1.384   0.477
   29    HB2  PRO   5           HB2      PRO   5  -4.375   2.428   2.839
   30    HB3  PRO   5           HB1      PRO   5  -3.977   2.816   1.175
   31    HG2  PRO   5           HG2      PRO   5  -5.629   4.292   3.109
   32    HG3  PRO   5           HG1      PRO   5  -4.838   4.874   1.642
   33    HD2  PRO   5           HD2      PRO   5  -7.507   4.589   1.874
   34    HD3  PRO   5           HD1      PRO   5  -6.644   4.403   0.334
   35    H    ARG   6           H        ARG   6  -6.590   1.841   3.858
   36    HA   ARG   6           HA       ARG   6  -5.387  -0.535   4.810
   37    HB2  ARG   6           HB2      ARG   6  -5.881   1.303   6.295
   38    HB3  ARG   6           HB1      ARG   6  -7.591   1.181   5.948
   39    HG2  ARG   6           HG2      ARG   6  -7.715  -0.929   7.093
   40    HG3  ARG   6           HG1      ARG   6  -5.969  -0.921   7.359
   41    HD2  ARG   6           HD2      ARG   6  -7.896   1.160   8.386
   42    HD3  ARG   6           HD1      ARG   6  -7.243  -0.164   9.346
   43    HE   ARG   6           HE       ARG   6  -5.004   0.876   8.627
   44   HH11  ARG   6          HH11      ARG   6  -7.910   2.772   9.363
   45   HH12  ARG   6          HH12      ARG   6  -7.070   4.066  10.072
   46   HH21  ARG   6          HH21      ARG   6  -3.844   2.691   9.600
   47   HH22  ARG   6          HH22      ARG   6  -4.700   4.030  10.168
   48    H    ALA   7           H        ALA   7  -8.701   0.177   3.866
   49    HA   ALA   7           HA       ALA   7  -9.736  -2.374   4.428
   50    HB1  ALA   7           HB1      ALA   7 -11.169  -0.418   4.097
   51    HB2  ALA   7           HB2      ALA   7 -11.610  -1.715   2.986
   52    HB3  ALA   7           HB3      ALA   7 -10.674  -0.336   2.407
   53    H    GLU   8           H        GLU   8  -8.474  -0.933   1.427
   54    HA   GLU   8           HA       GLU   8  -8.871  -3.213  -0.165
   55    HB2  GLU   8           HB2      GLU   8  -6.891  -0.973  -0.512
   56    HB3  GLU   8           HB1      GLU   8  -7.137  -2.246  -1.690
   57    HG2  GLU   8           HG2      GLU   8  -9.583  -1.499  -1.705
   58    HG3  GLU   8           HG1      GLU   8  -8.997  -0.049  -0.883
   59    H    TYR   9           H        TYR   9  -6.279  -2.328   1.968
   60    HA   TYR   9           HA       TYR   9  -4.367  -4.197   1.171
   61    HB2  TYR   9           HB2      TYR   9  -3.841  -2.441   2.781
   62    HB3  TYR   9           HB1      TYR   9  -4.982  -3.122   3.929
   63    HD1  TYR   9           HD1      TYR   9  -4.221  -4.564   5.547
   64    HD2  TYR   9           HD2      TYR   9  -1.896  -4.027   2.041
   65    HE1  TYR   9           HE1      TYR   9  -2.475  -5.970   6.517
   66    HE2  TYR   9           HE2      TYR   9  -0.114  -5.414   2.984
   67    HH   TYR   9           HH       TYR   9   0.709  -6.168   5.135
   68    H    GLU  10           H        GLU  10  -6.952  -4.437   3.566
   69    HA   GLU  10           HA       GLU  10  -6.371  -7.110   4.240
   70    HB2  GLU  10           HB2      GLU  10  -9.003  -5.693   4.570
   71    HB3  GLU  10           HB1      GLU  10  -8.400  -7.094   5.460
   72    HG2  GLU  10           HG2      GLU  10  -6.640  -5.697   6.424
   73    HG3  GLU  10           HG1      GLU  10  -7.322  -4.299   5.594
   74    H    VAL  11           H        VAL  11  -8.666  -5.608   2.014
   75    HA   VAL  11           HA       VAL  11  -9.994  -7.947   1.192
   76    HB   VAL  11           HB       VAL  11  -9.505  -5.404  -0.407
   77   HG11  VAL  11          HG11      VAL  11 -10.087  -7.256  -1.905
   78   HG12  VAL  11          HG12      VAL  11 -11.410  -6.095  -1.800
   79   HG13  VAL  11          3HG1      VAL  11 -11.501  -7.619  -0.917
   80   HG21  VAL  11          HG21      VAL  11 -11.888  -6.300   1.209
   81   HG22  VAL  11          HG22      VAL  11 -11.783  -4.819   0.254
   82   HG23  VAL  11          HG23      VAL  11 -10.741  -5.039   1.661
   83    H    CYS  12           H        CYS  12  -7.114  -6.376  -0.106
   84    HA   CYS  12           HA       CYS  12  -6.600  -8.029  -2.280
   85    HB2  CYS  12           HB2      CYS  12  -5.430  -5.877  -1.712
   86    HB3  CYS  12           HB1      CYS  12  -4.575  -6.731  -0.444
   87    H    ARG  13           H        ARG  13  -5.713  -8.410   1.120
   88    HA   ARG  13           HA       ARG  13  -4.213 -10.833   0.789
   89    HB2  ARG  13           HB2      ARG  13  -5.644  -9.790   3.240
   90    HB3  ARG  13           HB1      ARG  13  -4.409 -11.039   3.228
   91    HG2  ARG  13           HG2      ARG  13  -2.738  -9.431   2.568
   92    HG3  ARG  13           HG1      ARG  13  -3.968  -8.178   2.399
   93    HD2  ARG  13           HD2      ARG  13  -2.853  -7.866   4.501
   94    HD3  ARG  13           HD1      ARG  13  -4.490  -8.431   4.813
   95    HE   ARG  13           HE       ARG  13  -2.091 -10.141   4.954
   96   HH11  ARG  13          HH11      ARG  13  -5.359  -9.358   6.156
   97   HH12  ARG  13          HH12      ARG  13  -5.249 -10.402   7.467
   98   HH21  ARG  13          HH21      ARG  13  -1.963 -11.524   6.675
   99   HH22  ARG  13          HH22      ARG  13  -3.253 -11.703   7.805
  100    H    LEU  14           H        LEU  14  -7.521 -10.048   1.708
  101    HA   LEU  14           HA       LEU  14  -8.519 -12.544   2.343
  102    HB2  LEU  14           HB2      LEU  14  -9.698 -10.448   2.756
  103    HB3  LEU  14           HB1      LEU  14  -9.914 -10.215   1.037
  104    HG   LEU  14           HG       LEU  14 -11.368 -12.225   0.975
  105   HD11  LEU  14          HD11      LEU  14 -10.488 -13.417   2.892
  106   HD12  LEU  14          HD12      LEU  14 -12.219 -13.140   3.070
  107   HD13  LEU  14          HD13      LEU  14 -11.072 -12.150   3.971
  108   HD21  LEU  14          HD21      LEU  14 -12.336  -9.998   1.169
  109   HD22  LEU  14          HD22      LEU  14 -12.200 -10.081   2.926
  110   HD23  LEU  14          HD23      LEU  14 -13.287 -11.176   2.075
  111    H    ARG  15           H        ARG  15  -8.377 -10.952  -0.810
  112    HA   ARG  15           HA       ARG  15  -9.758 -12.842  -2.328
  113    HB2  ARG  15           HB2      ARG  15  -7.397 -11.187  -3.208
  114    HB3  ARG  15           HB1      ARG  15  -8.503 -12.014  -4.289
  115    HG2  ARG  15           HG2      ARG  15 -10.336 -10.589  -3.409
  116    HG3  ARG  15           HG1      ARG  15  -9.139  -9.722  -2.446
  117    HD2  ARG  15           HD2      ARG  15  -9.261  -9.913  -5.453
  118    HD3  ARG  15           HD1      ARG  15  -9.573  -8.486  -4.463
  119    HE   ARG  15           HE       ARG  15  -6.944  -9.683  -4.230
  120   HH11  ARG  15          HH11      ARG  15  -8.884  -7.183  -5.815
  121   HH12  ARG  15          HH12      ARG  15  -7.558  -6.203  -6.212
  122   HH21  ARG  15          HH21      ARG  15  -5.133  -8.416  -4.845
  123   HH22  ARG  15          HH22      ARG  15  -5.336  -6.947  -5.682
  124    H    CYS  16           H        CYS  16  -6.307 -12.691  -1.575
  125    HA   CYS  16           HA       CYS  16  -5.669 -15.041  -2.998
  126    HB2  CYS  16           HB2      CYS  16  -4.194 -13.474  -0.915
  127    HB3  CYS  16           HB1      CYS  16  -3.523 -14.937  -1.611
  128    H    GLN  17           H        GLN  17  -6.697 -14.457   0.292
  129    HA   GLN  17           HA       GLN  17  -5.990 -16.969   1.369
  130    HB2  GLN  17           HB2      GLN  17  -8.232 -15.105   2.149
  131    HB3  GLN  17           HB1      GLN  17  -7.742 -16.506   3.086
  132    HG2  GLN  17           HG2      GLN  17  -5.512 -15.501   3.375
  133    HG3  GLN  17           HG1      GLN  17  -6.059 -14.091   2.476
  134   HE21  GLN  17          1HE2      GLN  17  -8.740 -14.141   3.684
  135   HE22  GLN  17          2HE2      GLN  17  -8.521 -13.577   5.296
  136    H    VAL  18           H        VAL  18  -8.697 -15.902  -0.489
  137    HA   VAL  18           HA       VAL  18 -10.154 -18.366  -0.136
  138    HB   VAL  18           HB       VAL  18 -10.672 -16.085  -2.074
  139   HG11  VAL  18          HG11      VAL  18 -11.795 -18.136  -2.750
  140   HG12  VAL  18          HG12      VAL  18 -12.965 -16.947  -2.176
  141   HG13  VAL  18          3HG1      VAL  18 -12.499 -18.296  -1.141
  142   HG21  VAL  18          HG21      VAL  18 -11.853 -16.593   0.651
  143   HG22  VAL  18          HG22      VAL  18 -12.360 -15.325  -0.465
  144   HG23  VAL  18          HG23      VAL  18 -10.736 -15.297   0.224
  145    H    ALA  19           H        ALA  19  -7.857 -17.028  -2.355
  146    HA   ALA  19           HA       ALA  19  -8.455 -18.877  -4.479
  147    HB1  ALA  19           HB1      ALA  19  -6.571 -17.872  -5.632
  148    HB2  ALA  19           HB2      ALA  19  -6.099 -17.039  -4.151
  149    HB3  ALA  19           HB3      ALA  19  -7.616 -16.624  -4.949
  150    H    GLU  20           H        GLU  20  -5.700 -18.481  -2.216
  151    HA   GLU  20           HA       GLU  20  -5.218 -21.342  -2.495
  152    HB2  GLU  20           HB2      GLU  20  -3.055 -19.215  -2.593
  153    HB3  GLU  20           HB1      GLU  20  -2.757 -20.932  -2.429
  154    HG2  GLU  20           HG2      GLU  20  -3.730 -21.315  -4.644
  155    HG3  GLU  20           HG1      GLU  20  -4.032 -19.587  -4.805
  156    H    ARG  21           H        ARG  21  -4.483 -22.274  -0.607
  157    HA   ARG  21           HA       ARG  21  -4.732 -20.527   1.730
  158    HB2  ARG  21           HB2      ARG  21  -4.987 -23.518   1.488
  159    HB3  ARG  21           HB1      ARG  21  -5.086 -22.636   3.004
  160    HG2  ARG  21           HG2      ARG  21  -7.049 -21.439   2.185
  161    HG3  ARG  21           HG1      ARG  21  -6.944 -22.319   0.658
  162    HD2  ARG  21           HD2      ARG  21  -8.604 -23.317   2.150
  163    HD3  ARG  21           HD1      ARG  21  -7.266 -24.419   1.832
  164    HE   ARG  21           HE       ARG  21  -6.895 -22.862   4.202
  165   HH11  ARG  21          HH11      ARG  21  -8.407 -25.818   2.942
  166   HH12  ARG  21          HH12      ARG  21  -8.457 -26.584   4.461
  167   HH21  ARG  21          HH21      ARG  21  -6.931 -23.954   6.279
  168   HH22  ARG  21          HH22      ARG  21  -7.594 -25.523   6.366
  169    H    GLY  22           H        GLY  22  -2.383 -21.373  -0.081
  170    HA2  GLY  22           HA2      GLY  22  -0.535 -22.625   1.731
  171    HA3  GLY  22           HA1      GLY  22  -0.135 -21.904   0.175
  172    H    VAL  23           H        VAL  23   0.979 -21.731   2.990
  173    HA   VAL  23           HA       VAL  23   0.513 -19.172   4.054
  174    HB   VAL  23           HB       VAL  23   2.939 -20.959   4.393
  175   HG11  VAL  23          HG11      VAL  23   3.357 -19.701   6.461
  176   HG12  VAL  23          HG12      VAL  23   2.025 -18.616   6.064
  177   HG13  VAL  23          3HG1      VAL  23   3.457 -18.662   5.039
  178   HG21  VAL  23          HG21      VAL  23   0.462 -20.648   6.089
  179   HG22  VAL  23          HG22      VAL  23   1.865 -21.631   6.496
  180   HG23  VAL  23          HG23      VAL  23   0.877 -22.045   5.094
  181    H    GLU  24           H        GLU  24   3.035 -20.371   1.910
  182    HA   GLU  24           HA       GLU  24   4.432 -17.894   1.847
  183    HB2  GLU  24           HB2      GLU  24   4.575 -20.234  -0.056
  184    HB3  GLU  24           HB1      GLU  24   5.675 -18.868  -0.043
  185    HG2  GLU  24           HG2      GLU  24   6.373 -19.452   2.225
  186    HG3  GLU  24           HG1      GLU  24   5.290 -20.840   2.189
  187    H    GLN  25           H        GLN  25   2.045 -19.433  -0.162
  188    HA   GLN  25           HA       GLN  25   2.072 -17.623  -2.308
  189    HB2  GLN  25           HB2      GLN  25  -0.200 -19.272  -1.223
  190    HB3  GLN  25           HB1      GLN  25  -0.254 -18.390  -2.743
  191    HG2  GLN  25           HG2      GLN  25   1.637 -20.616  -2.051
  192    HG3  GLN  25           HG1      GLN  25   0.227 -20.720  -3.108
  193   HE21  GLN  25          1HE2      GLN  25   0.292 -19.691  -5.103
  194   HE22  GLN  25          2HE2      GLN  25   1.786 -19.257  -5.861
  195    H    GLN  26           H        GLN  26   0.062 -17.637   0.607
  196    HA   GLN  26           HA       GLN  26  -1.263 -15.208  -0.075
  197    HB2  GLN  26           HB2      GLN  26  -0.920 -16.418   2.665
  198    HB3  GLN  26           HB1      GLN  26  -2.133 -15.245   2.169
  199    HG2  GLN  26           HG2      GLN  26  -3.122 -16.907   0.677
  200    HG3  GLN  26           HG1      GLN  26  -1.909 -18.078   1.189
  201   HE21  GLN  26          1HE2      GLN  26  -4.684 -18.348   1.401
  202   HE22  GLN  26          2HE2      GLN  26  -5.097 -18.496   3.067
  203    H    ARG  27           H        ARG  27   1.686 -15.970   1.729
  204    HA   ARG  27           HA       ARG  27   2.010 -13.365   2.738
  205    HB2  ARG  27           HB2      ARG  27   3.130 -15.311   3.695
  206    HB3  ARG  27           HB1      ARG  27   4.058 -15.509   2.221
  207    HG2  ARG  27           HG2      ARG  27   5.294 -13.548   2.619
  208    HG3  ARG  27           HG1      ARG  27   4.205 -13.030   3.908
  209    HD2  ARG  27           HD2      ARG  27   6.213 -13.972   4.886
  210    HD3  ARG  27           HD1      ARG  27   4.799 -15.003   5.166
  211    HE   ARG  27           HE       ARG  27   6.477 -15.639   2.902
  212   HH11  ARG  27          HH11      ARG  27   5.491 -16.406   6.206
  213   HH12  ARG  27          HH12      ARG  27   6.158 -17.971   6.215
  214   HH21  ARG  27          HH21      ARG  27   7.463 -17.802   2.915
  215   HH22  ARG  27          HH22      ARG  27   7.329 -18.775   4.305
  216    H    LYS  28           H        LYS  28   3.068 -14.939  -0.242
  217    HA   LYS  28           HA       LYS  28   4.592 -12.846  -1.308
  218    HB2  LYS  28           HB2      LYS  28   2.772 -14.822  -2.711
  219    HB3  LYS  28           HB1      LYS  28   3.843 -13.737  -3.569
  220    HG2  LYS  28           HG2      LYS  28   4.669 -15.929  -1.668
  221    HG3  LYS  28           HG1      LYS  28   4.764 -15.985  -3.428
  222    HD2  LYS  28           HD2      LYS  28   6.331 -14.067  -3.363
  223    HD3  LYS  28           HD1      LYS  28   6.261 -14.110  -1.601
  224    HE2  LYS  28           HE2      LYS  28   7.133 -16.423  -1.653
  225    HE3  LYS  28           HE1      LYS  28   7.257 -16.310  -3.404
  226    HZ1  LYS  28           HZ1      LYS  28   9.386 -15.859  -2.359
  227    HZ2  LYS  28           HZ2      LYS  28   8.707 -14.612  -1.453
  228    HZ3  LYS  28           HZ3      LYS  28   8.818 -14.455  -3.111
  229    H    CYS  29           H        CYS  29   1.147 -13.498  -1.445
  230    HA   CYS  29           HA       CYS  29   0.325 -11.239  -2.843
  231    HB2  CYS  29           HB2      CYS  29  -1.035 -12.940  -0.791
  232    HB3  CYS  29           HB1      CYS  29  -1.876 -11.607  -1.551
  233    H    GLU  30           H        GLU  30   0.459 -11.717   0.710
  234    HA   GLU  30           HA       GLU  30  -0.476  -9.259   1.538
  235    HB2  GLU  30           HB2      GLU  30   1.702 -10.900   2.832
  236    HB3  GLU  30           HB1      GLU  30   0.854  -9.572   3.602
  237    HG2  GLU  30           HG2      GLU  30  -1.243 -10.823   3.427
  238    HG3  GLU  30           HG1      GLU  30  -0.369 -12.157   2.674
  239    H    GLN  31           H        GLN  31   2.827 -10.138   0.754
  240    HA   GLN  31           HA       GLN  31   4.010  -7.684   1.390
  241    HB2  GLN  31           HB2      GLN  31   4.858  -9.858  -0.501
  242    HB3  GLN  31           HB1      GLN  31   5.868  -8.477  -0.087
  243    HG2  GLN  31           HG2      GLN  31   5.927  -9.116   2.198
  244    HG3  GLN  31           HG1      GLN  31   4.749 -10.400   1.926
  245   HE21  GLN  31          1HE2      GLN  31   5.388 -12.226   0.904
  246   HE22  GLN  31          2HE2      GLN  31   7.056 -12.662   0.713
  247    H    VAL  32           H        VAL  32   2.821  -8.882  -1.754
  248    HA   VAL  32           HA       VAL  32   3.534  -6.559  -3.196
  249    HB   VAL  32           HB       VAL  32   1.336  -8.582  -3.772
  250   HG11  VAL  32          HG11      VAL  32   1.384  -7.751  -6.074
  251   HG12  VAL  32          HG12      VAL  32   2.554  -6.518  -5.611
  252   HG13  VAL  32          3HG1      VAL  32   0.916  -6.469  -4.956
  253   HG21  VAL  32          HG21      VAL  32   2.946  -9.495  -5.380
  254   HG22  VAL  32          HG22      VAL  32   3.555  -9.555  -3.725
  255   HG23  VAL  32          HG23      VAL  32   4.141  -8.318  -4.837
  256    H    CYS  33           H        CYS  33   0.564  -7.517  -1.565
  257    HA   CYS  33           HA       CYS  33  -0.985  -5.262  -2.181
  258    HB2  CYS  33           HB2      CYS  33  -1.097  -6.905   0.361
  259    HB3  CYS  33           HB1      CYS  33  -2.381  -5.895  -0.286
  260    H    GLU  34           H        GLU  34   1.420  -5.837   0.317
  261    HA   GLU  34           HA       GLU  34   0.829  -3.497   1.804
  262    HB2  GLU  34           HB2      GLU  34   1.871  -5.683   2.628
  263    HB3  GLU  34           HB1      GLU  34   3.357  -5.108   1.905
  264    HG2  GLU  34           HG2      GLU  34   3.487  -3.276   3.390
  265    HG3  GLU  34           HG1      GLU  34   1.846  -3.560   3.976
  266    H    GLU  35           H        GLU  35   3.057  -4.288  -0.805
  267    HA   GLU  35           HA       GLU  35   4.535  -1.879  -0.567
  268    HB2  GLU  35           HB2      GLU  35   4.184  -3.655  -2.984
  269    HB3  GLU  35           HB1      GLU  35   5.322  -2.319  -2.885
  270    HG2  GLU  35           HG2      GLU  35   5.334  -4.842  -1.254
  271    HG3  GLU  35           HG1      GLU  35   6.475  -4.378  -2.513
  272    H    ARG  36           H        ARG  36   1.596  -2.737  -2.214
  273    HA   ARG  36           HA       ARG  36   1.281  -0.294  -3.601
  274    HB2  ARG  36           HB2      ARG  36  -0.110  -2.231  -4.139
  275    HB3  ARG  36           HB1      ARG  36  -0.827  -2.182  -2.534
  276    HG2  ARG  36           HG2      ARG  36  -1.811  -0.012  -3.018
  277    HG3  ARG  36           HG1      ARG  36  -1.074  -0.023  -4.617
  278    HD2  ARG  36           HD2      ARG  36  -3.414  -0.649  -4.684
  279    HD3  ARG  36           HD1      ARG  36  -2.383  -1.974  -5.223
  280    HE   ARG  36           HE       ARG  36  -2.682  -2.707  -2.768
  281   HH11  ARG  36          HH11      ARG  36  -5.160  -1.165  -4.789
  282   HH12  ARG  36          HH12      ARG  36  -6.482  -1.976  -4.120
  283   HH21  ARG  36          HH21      ARG  36  -4.503  -3.944  -1.873
  284   HH22  ARG  36          HH22      ARG  36  -6.073  -3.690  -2.454
  285    H    LEU  37           H        LEU  37   0.427  -1.373  -0.404
  286    HA   LEU  37           HA       LEU  37  -0.892   0.966   0.462
  287    HB2  LEU  37           HB2      LEU  37   0.354  -1.402   1.758
  288    HB3  LEU  37           HB1      LEU  37   0.020  -0.020   2.769
  289    HG   LEU  37           HG       LEU  37  -1.719  -1.933   2.650
  290   HD11  LEU  37          HD11      LEU  37  -3.543  -0.336   2.931
  291   HD12  LEU  37          HD12      LEU  37  -2.557   0.917   2.193
  292   HD13  LEU  37          HD13      LEU  37  -2.081   0.220   3.745
  293   HD21  LEU  37          HD21      LEU  37  -3.426  -1.681   0.897
  294   HD22  LEU  37          HD22      LEU  37  -1.863  -2.114   0.208
  295   HD23  LEU  37          HD23      LEU  37  -2.437  -0.454   0.109
  296    H    ARG  38           H        ARG  38   2.413  -0.088   0.578
  297    HA   ARG  38           HA       ARG  38   3.639   1.972   1.948
  298    HB2  ARG  38           HB2      ARG  38   4.763  -0.082   1.310
  299    HB3  ARG  38           HB1      ARG  38   4.648   0.360  -0.383
  300    HG2  ARG  38           HG2      ARG  38   6.137   2.247   0.002
  301    HG3  ARG  38           HG1      ARG  38   6.253   1.811   1.708
  302    HD2  ARG  38           HD2      ARG  38   7.167  -0.369   1.077
  303    HD3  ARG  38           HD1      ARG  38   7.073   0.089  -0.622
  304    HE   ARG  38           HE       ARG  38   8.530   2.031   0.714
  305   HH11  ARG  38          HH11      ARG  38   8.867  -1.414  -0.187
  306   HH12  ARG  38          HH12      ARG  38  10.570  -1.340  -0.206
  307   HH21  ARG  38          HH21      ARG  38  10.826   2.090   0.629
  308   HH22  ARG  38          HH22      ARG  38  11.725   0.691   0.280
  309    H    GLU  39           H        GLU  39   3.055   1.742  -1.581
  310    HA   GLU  39           HA       GLU  39   4.209   4.270  -2.057
  311    HB2  GLU  39           HB2      GLU  39   3.246   4.154  -4.344
  312    HB3  GLU  39           HB1      GLU  39   4.105   2.700  -3.887
  313    HG2  GLU  39           HG2      GLU  39   2.018   1.559  -3.497
  314    HG3  GLU  39           HG1      GLU  39   1.123   3.022  -3.893
  315    H    ARG  40           H        ARG  40   0.994   3.283  -1.291
  316    HA   ARG  40           HA       ARG  40  -0.107   5.850  -1.907
  317    HB2  ARG  40           HB2      ARG  40  -1.373   3.676  -2.128
  318    HB3  ARG  40           HB1      ARG  40  -1.442   3.617  -0.378
  319    HG2  ARG  40           HG2      ARG  40  -2.716   5.674  -0.313
  320    HG3  ARG  40           HG1      ARG  40  -2.591   5.835  -2.061
  321    HD2  ARG  40           HD2      ARG  40  -3.956   3.575  -0.606
  322    HD3  ARG  40           HD1      ARG  40  -4.770   4.955  -1.333
  323    HE   ARG  40           HE       ARG  40  -3.195   3.696  -3.273
  324   HH11  ARG  40          HH11      ARG  40  -6.179   3.149  -1.455
  325   HH12  ARG  40          HH12      ARG  40  -6.834   2.033  -2.568
  326   HH21  ARG  40          HH21      ARG  40  -4.131   2.241  -4.849
  327   HH22  ARG  40          HH22      ARG  40  -5.658   1.556  -4.566
  328    H    GLU  41           H        GLU  41   1.582   4.640   0.808
  329    HA   GLU  41           HA       GLU  41   0.307   6.684   2.479
  330    HB2  GLU  41           HB2      GLU  41   1.428   5.743   4.427
  331    HB3  GLU  41           HB1      GLU  41   0.472   4.526   3.613
  332    HG2  GLU  41           HG2      GLU  41   2.445   3.527   2.698
  333    HG3  GLU  41           HG1      GLU  41   3.449   4.839   3.319
  334    H    GLN  42           H        GLN  42   3.148   6.139   0.703
  335    HA   GLN  42           HA       GLN  42   4.708   8.004   2.287
  336    HB2  GLN  42           HB2      GLN  42   6.545   7.462   0.857
  337    HB3  GLN  42           HB1      GLN  42   5.694   5.968   1.185
  338    HG2  GLN  42           HG2      GLN  42   4.563   6.223  -1.035
  339    HG3  GLN  42           HG1      GLN  42   5.639   7.581  -1.354
  340   HE21  GLN  42          1HE2      GLN  42   5.523   5.230  -2.878
  341   HE22  GLN  42          2HE2      GLN  42   7.030   4.401  -2.731
  342    H    GLY  43           H        GLY  43   2.491   8.106  -0.171
  343    HA2  GLY  43           HA2      GLY  43   2.659  10.923  -0.404
  344    HA3  GLY  43           HA1      GLY  43   3.031  10.058  -1.908
  345    H    ARG  44           H        ARG  44   0.622  11.617  -1.455
  346    HA   ARG  44           HA       ARG  44  -1.403   9.692  -0.859
  347    HB2  ARG  44           HB2      ARG  44  -1.717  12.413  -2.147
  348    HB3  ARG  44           HB1      ARG  44  -3.029  11.412  -1.536
  349    HG2  ARG  44           HG2      ARG  44  -1.967  11.533   0.723
  350    HG3  ARG  44           HG1      ARG  44  -0.833  12.707   0.055
  351    HD2  ARG  44           HD2      ARG  44  -2.578  13.924   1.130
  352    HD3  ARG  44           HD1      ARG  44  -2.799  14.092  -0.611
  353    HE   ARG  44           HE       ARG  44  -4.280  11.910   0.431
  354   HH11  ARG  44          HH11      ARG  44  -4.351  15.445   0.098
  355   HH12  ARG  44          HH12      ARG  44  -6.044  15.580   0.216
  356   HH21  ARG  44          HH21      ARG  44  -6.619  12.103   0.651
  357   HH22  ARG  44          HH22      ARG  44  -7.358  13.629   0.586
  358    H    GLY  45           H        GLY  45  -1.587   8.067  -2.052
  359    HA2  GLY  45           HA2      GLY  45  -2.355   6.928  -3.980
  360    HA3  GLY  45           HA1      GLY  45  -1.909   8.337  -4.953
  361    H    GLU  46           H        GLU  46   0.451   8.951  -4.424
  362    HA   GLU  46           HA       GLU  46   2.451   7.153  -3.837
  363    HB2  GLU  46           HB2      GLU  46   1.941   6.003  -5.957
  364    HB3  GLU  46           HB1      GLU  46   1.900   7.528  -6.821
  365    HG2  GLU  46           HG2      GLU  46   3.933   6.246  -7.310
  366    HG3  GLU  46           HG1      GLU  46   4.300   7.785  -6.547
  367    H    ASP  47           H        ASP  47   4.451   8.278  -4.016
  368    HA   ASP  47           HA       ASP  47   4.030  11.181  -4.060
  369    HB2  ASP  47           HB2      ASP  47   5.254  10.198  -2.125
  370    HB3  ASP  47           HB1      ASP  47   6.506   9.658  -3.237
  371    H    VAL  48           H        VAL  48   6.438   8.889  -5.375
  372    HA   VAL  48           HA       VAL  48   6.443  10.504  -7.787
  373    HB   VAL  48           HB       VAL  48   8.439  11.184  -6.488
  374   HG11  VAL  48          HG11      VAL  48   9.293   8.306  -6.656
  375   HG12  VAL  48          HG12      VAL  48   8.876   9.207  -5.198
  376   HG13  VAL  48          3HG1      VAL  48  10.314   9.641  -6.122
  377   HG21  VAL  48          HG21      VAL  48   8.591  11.278  -8.902
  378   HG22  VAL  48          HG22      VAL  48   9.106   9.594  -8.963
  379   HG23  VAL  48          HG23      VAL  48  10.153  10.809  -8.229
  380    H    ASP  49           H        ASP  49   6.419   9.365  -9.618
  381    HA   ASP  49           HA       ASP  49   6.009   6.531  -9.442
  382    HB2  ASP  49           HB2      ASP  49   5.923   8.508 -11.717
  383    HB3  ASP  49           HB1      ASP  49   5.841   6.779 -12.003
  Start of MODEL   16
    1    H    PCA   1           H        PGL   1 -10.869   9.023  -3.543
    2    HA   PCA   1           HA       PGL   1 -12.124  10.374  -1.686
    3    HB2  PCA   1           HB1      PGL   1 -14.195  11.035  -2.322
    4    HB3  PCA   1           HB2      PGL   1 -14.688   9.332  -2.528
    5    HG2  PCA   1           HG1      PGL   1 -14.046  11.262  -4.589
    6    HG3  PCA   1           HG2      PGL   1 -14.544   9.546  -4.776
    7    H    ARG   2           H        ARG   2 -12.515   7.272  -3.182
    8    HA   ARG   2           HA       ARG   2 -12.996   6.128  -0.510
    9    HB2  ARG   2           HB2      ARG   2 -13.884   5.054  -3.181
   10    HB3  ARG   2           HB1      ARG   2 -14.078   4.216  -1.648
   11    HG2  ARG   2           HG2      ARG   2 -15.478   6.088  -0.856
   12    HG3  ARG   2           HG1      ARG   2 -15.338   6.821  -2.454
   13    HD2  ARG   2           HD2      ARG   2 -16.498   4.110  -1.858
   14    HD3  ARG   2           HD1      ARG   2 -17.426   5.568  -2.198
   15    HE   ARG   2           HE       ARG   2 -15.564   4.965  -4.274
   16   HH11  ARG   2          HH11      ARG   2 -18.732   4.061  -3.001
   17   HH12  ARG   2          HH12      ARG   2 -19.363   3.577  -4.499
   18   HH21  ARG   2          HH21      ARG   2 -16.391   4.264  -6.329
   19   HH22  ARG   2          HH22      ARG   2 -17.984   3.663  -6.434
   20    H    GLY   3           H        GLY   3 -10.594   6.694  -2.387
   21    HA2  GLY   3           HA2      GLY   3  -9.475   4.053  -2.722
   22    HA3  GLY   3           HA1      GLY   3  -8.707   5.593  -3.109
   23    H    SER   4           H        SER   4  -9.973   3.953  -0.314
   24    HA   SER   4           HA       SER   4  -8.121   5.151   1.467
   25    HB2  SER   4           HB2      SER   4 -10.010   2.851   1.904
   26    HB3  SER   4           HB1      SER   4  -9.336   3.948   3.118
   27    HG   SER   4           HG       SER   4 -10.387   5.631   1.694
   28    HA   PRO   5           HA       PRO   5  -4.781   2.273   0.826
   29    HB2  PRO   5           HB2      PRO   5  -4.274   2.724   3.717
   30    HB3  PRO   5           HB1      PRO   5  -3.174   2.889   2.348
   31    HG2  PRO   5           HG2      PRO   5  -4.189   5.040   3.543
   32    HG3  PRO   5           HG1      PRO   5  -3.968   4.985   1.787
   33    HD2  PRO   5           HD2      PRO   5  -6.473   4.739   3.384
   34    HD3  PRO   5           HD1      PRO   5  -6.189   5.487   1.799
   35    H    ARG   6           H        ARG   6  -6.489   1.882   3.989
   36    HA   ARG   6           HA       ARG   6  -5.693  -0.834   4.122
   37    HB2  ARG   6           HB2      ARG   6  -6.979  -1.110   6.112
   38    HB3  ARG   6           HB1      ARG   6  -6.234   0.474   6.179
   39    HG2  ARG   6           HG2      ARG   6  -8.348   1.521   5.649
   40    HG3  ARG   6           HG1      ARG   6  -9.097  -0.060   5.414
   41    HD2  ARG   6           HD2      ARG   6  -7.934   0.993   7.993
   42    HD3  ARG   6           HD1      ARG   6  -9.649   0.828   7.619
   43    HE   ARG   6           HE       ARG   6  -8.775  -1.690   7.280
   44   HH11  ARG   6          HH11      ARG   6  -8.363   0.577   9.974
   45   HH12  ARG   6          HH12      ARG   6  -8.153  -0.618  11.154
   46   HH21  ARG   6          HH21      ARG   6  -8.441  -3.357   8.899
   47   HH22  ARG   6          HH22      ARG   6  -8.185  -2.912  10.528
   48    H    ALA   7           H        ALA   7  -8.299   0.689   2.576
   49    HA   ALA   7           HA       ALA   7 -10.110  -1.493   2.514
   50    HB1  ALA   7           HB1      ALA   7 -11.137  -0.329   0.596
   51    HB2  ALA   7           HB2      ALA   7  -9.758   0.770   0.533
   52    HB3  ALA   7           HB3      ALA   7 -10.829   0.776   1.936
   53    H    GLU   8           H        GLU   8  -7.793  -0.269   0.152
   54    HA   GLU   8           HA       GLU   8  -7.891  -2.469  -1.601
   55    HB2  GLU   8           HB2      GLU   8  -5.783  -0.371  -1.110
   56    HB3  GLU   8           HB1      GLU   8  -5.678  -1.563  -2.397
   57    HG2  GLU   8           HG2      GLU   8  -7.929   0.405  -2.087
   58    HG3  GLU   8           HG1      GLU   8  -6.523   0.646  -3.126
   59    H    TYR   9           H        TYR   9  -6.114  -1.811   1.272
   60    HA   TYR   9           HA       TYR   9  -4.037  -3.693   1.090
   61    HB2  TYR   9           HB2      TYR   9  -4.251  -1.767   2.685
   62    HB3  TYR   9           HB1      TYR   9  -5.423  -2.736   3.564
   63    HD1  TYR   9           HD1      TYR   9  -1.959  -2.537   2.509
   64    HD2  TYR   9           HD2      TYR   9  -4.702  -4.376   5.136
   65    HE1  TYR   9           HE1      TYR   9  -0.122  -3.367   3.726
   66    HE2  TYR   9           HE2      TYR   9  -2.844  -5.298   6.439
   67    HH   TYR   9           HH       TYR   9   0.266  -4.167   6.140
   68    H    GLU  10           H        GLU  10  -7.021  -3.844   3.025
   69    HA   GLU  10           HA       GLU  10  -6.493  -6.475   3.846
   70    HB2  GLU  10           HB2      GLU  10  -9.040  -4.900   4.057
   71    HB3  GLU  10           HB1      GLU  10  -8.645  -6.365   4.960
   72    HG2  GLU  10           HG2      GLU  10  -6.799  -5.245   6.034
   73    HG3  GLU  10           HG1      GLU  10  -7.110  -3.786   5.103
   74    H    VAL  11           H        VAL  11  -8.606  -5.190   1.293
   75    HA   VAL  11           HA       VAL  11  -9.818  -7.690   0.753
   76    HB   VAL  11           HB       VAL  11  -9.433  -5.338  -1.143
   77   HG11  VAL  11          HG11      VAL  11 -11.299  -6.291  -2.426
   78   HG12  VAL  11          HG12      VAL  11 -11.348  -7.671  -1.330
   79   HG13  VAL  11          3HG1      VAL  11  -9.938  -7.413  -2.356
   80   HG21  VAL  11          HG21      VAL  11 -10.688  -4.725   0.855
   81   HG22  VAL  11          HG22      VAL  11 -11.780  -6.088   0.603
   82   HG23  VAL  11          HG23      VAL  11 -11.748  -4.759  -0.555
   83    H    CYS  12           H        CYS  12  -6.922  -6.126  -0.484
   84    HA   CYS  12           HA       CYS  12  -6.114  -7.945  -2.434
   85    HB2  CYS  12           HB2      CYS  12  -5.013  -5.808  -2.134
   86    HB3  CYS  12           HB1      CYS  12  -4.538  -6.231  -0.504
   87    H    ARG  13           H        ARG  13  -5.493  -7.905   1.049
   88    HA   ARG  13           HA       ARG  13  -3.964 -10.305   1.140
   89    HB2  ARG  13           HB2      ARG  13  -5.625  -9.071   3.353
   90    HB3  ARG  13           HB1      ARG  13  -4.349 -10.258   3.558
   91    HG2  ARG  13           HG2      ARG  13  -2.718  -8.608   2.734
   92    HG3  ARG  13           HG1      ARG  13  -4.017  -7.423   2.595
   93    HD2  ARG  13           HD2      ARG  13  -2.866  -7.037   4.668
   94    HD3  ARG  13           HD1      ARG  13  -4.452  -7.713   5.037
   95    HE   ARG  13           HE       ARG  13  -2.591  -9.797   4.830
   96   HH11  ARG  13          HH11      ARG  13  -3.503  -7.229   7.115
   97   HH12  ARG  13          HH12      ARG  13  -2.737  -7.970   8.437
   98   HH21  ARG  13          HH21      ARG  13  -1.559 -10.754   6.600
   99   HH22  ARG  13          HH22      ARG  13  -1.568 -10.040   8.141
  100    H    LEU  14           H        LEU  14  -7.365  -9.570   1.693
  101    HA   LEU  14           HA       LEU  14  -8.318 -11.995   2.596
  102    HB2  LEU  14           HB2      LEU  14  -9.614  -9.910   2.536
  103    HB3  LEU  14           HB1      LEU  14  -9.693 -10.014   0.793
  104    HG   LEU  14           HG       LEU  14 -10.991 -12.125   1.025
  105   HD11  LEU  14          HD11      LEU  14 -10.999 -11.397   3.945
  106   HD12  LEU  14          HD12      LEU  14 -10.275 -12.833   3.215
  107   HD13  LEU  14          HD13      LEU  14 -12.024 -12.616   3.193
  108   HD21  LEU  14          HD21      LEU  14 -12.113 -10.008   0.622
  109   HD22  LEU  14          HD22      LEU  14 -12.148  -9.677   2.352
  110   HD23  LEU  14          HD23      LEU  14 -13.081 -11.021   1.694
  111    H    ARG  15           H        ARG  15  -8.220 -10.824  -0.751
  112    HA   ARG  15           HA       ARG  15  -9.381 -13.100  -1.879
  113    HB2  ARG  15           HB2      ARG  15  -7.533 -11.096  -3.163
  114    HB3  ARG  15           HB1      ARG  15  -8.423 -12.333  -4.038
  115    HG2  ARG  15           HG2      ARG  15  -9.604 -10.072  -2.438
  116    HG3  ARG  15           HG1      ARG  15  -9.568 -10.219  -4.196
  117    HD2  ARG  15           HD2      ARG  15 -10.945 -12.269  -4.021
  118    HD3  ARG  15           HD1      ARG  15 -11.017 -12.043  -2.275
  119    HE   ARG  15           HE       ARG  15 -11.933  -9.856  -3.916
  120   HH11  ARG  15          HH11      ARG  15 -12.805 -12.639  -1.913
  121   HH12  ARG  15          HH12      ARG  15 -14.449 -12.239  -1.793
  122   HH21  ARG  15          HH21      ARG  15 -14.219  -9.297  -3.752
  123   HH22  ARG  15          HH22      ARG  15 -15.269 -10.288  -2.851
  124    H    CYS  16           H        CYS  16  -5.926 -12.333  -1.633
  125    HA   CYS  16           HA       CYS  16  -5.260 -14.831  -2.758
  126    HB2  CYS  16           HB2      CYS  16  -3.733 -12.617  -1.621
  127    HB3  CYS  16           HB1      CYS  16  -2.938 -14.179  -1.534
  128    H    GLN  17           H        GLN  17  -5.804 -13.884   0.572
  129    HA   GLN  17           HA       GLN  17  -4.675 -16.246   1.656
  130    HB2  GLN  17           HB2      GLN  17  -6.710 -14.321   2.757
  131    HB3  GLN  17           HB1      GLN  17  -6.193 -15.743   3.644
  132    HG2  GLN  17           HG2      GLN  17  -3.880 -14.906   3.602
  133    HG3  GLN  17           HG1      GLN  17  -4.436 -13.467   2.746
  134   HE21  GLN  17          1HE2      GLN  17  -3.695 -12.121   4.487
  135   HE22  GLN  17          2HE2      GLN  17  -4.563 -12.076   5.963
  136    H    VAL  18           H        VAL  18  -7.794 -15.502   0.328
  137    HA   VAL  18           HA       VAL  18  -8.852 -18.058   1.162
  138    HB   VAL  18           HB       VAL  18 -10.087 -15.934  -0.623
  139   HG11  VAL  18          HG11      VAL  18 -11.039 -18.130  -1.105
  140   HG12  VAL  18          HG12      VAL  18 -12.210 -17.122  -0.252
  141   HG13  VAL  18          3HG1      VAL  18 -11.342 -18.390   0.613
  142   HG21  VAL  18          HG21      VAL  18  -9.757 -15.173   1.665
  143   HG22  VAL  18          HG22      VAL  18 -10.575 -16.610   2.277
  144   HG23  VAL  18          HG23      VAL  18 -11.471 -15.419   1.335
  145    H    ALA  19           H        ALA  19  -7.727 -16.565  -1.841
  146    HA   ALA  19           HA       ALA  19  -8.445 -18.740  -3.506
  147    HB1  ALA  19           HB1      ALA  19  -7.104 -17.673  -5.220
  148    HB2  ALA  19           HB2      ALA  19  -6.351 -16.633  -4.012
  149    HB3  ALA  19           HB3      ALA  19  -8.069 -16.467  -4.368
  150    H    GLU  20           H        GLU  20  -5.419 -17.899  -1.870
  151    HA   GLU  20           HA       GLU  20  -4.294 -20.485  -2.708
  152    HB2  GLU  20           HB2      GLU  20  -2.912 -17.971  -1.738
  153    HB3  GLU  20           HB1      GLU  20  -2.107 -19.465  -2.181
  154    HG2  GLU  20           HG2      GLU  20  -3.700 -17.720  -4.048
  155    HG3  GLU  20           HG1      GLU  20  -1.942 -17.754  -3.920
  156    H    ARG  21           H        ARG  21  -3.775 -21.921  -1.063
  157    HA   ARG  21           HA       ARG  21  -4.258 -20.924   1.654
  158    HB2  ARG  21           HB2      ARG  21  -4.777 -23.213   2.326
  159    HB3  ARG  21           HB1      ARG  21  -5.805 -22.729   0.995
  160    HG2  ARG  21           HG2      ARG  21  -4.363 -24.001  -0.546
  161    HG3  ARG  21           HG1      ARG  21  -3.387 -24.520   0.831
  162    HD2  ARG  21           HD2      ARG  21  -6.312 -25.102   0.357
  163    HD3  ARG  21           HD1      ARG  21  -4.979 -26.250   0.237
  164    HE   ARG  21           HE       ARG  21  -5.043 -25.076   2.804
  165   HH11  ARG  21          HH11      ARG  21  -6.687 -27.535   0.872
  166   HH12  ARG  21          HH12      ARG  21  -7.331 -28.354   2.216
  167   HH21  ARG  21          HH21      ARG  21  -5.875 -26.194   4.611
  168   HH22  ARG  21          HH22      ARG  21  -6.844 -27.588   4.412
  169    H    GLY  22           H        GLY  22  -1.813 -21.226  -0.211
  170    HA2  GLY  22           HA2      GLY  22  -0.067 -22.696   1.617
  171    HA3  GLY  22           HA1      GLY  22   0.375 -22.124   0.008
  172    H    VAL  23           H        VAL  23   1.468 -21.757   2.812
  173    HA   VAL  23           HA       VAL  23   1.066 -19.159   3.725
  174    HB   VAL  23           HB       VAL  23   3.533 -20.887   4.084
  175   HG11  VAL  23          HG11      VAL  23   3.999 -18.553   4.643
  176   HG12  VAL  23          HG12      VAL  23   3.964 -19.555   6.094
  177   HG13  VAL  23          3HG1      VAL  23   2.592 -18.519   5.704
  178   HG21  VAL  23          HG21      VAL  23   2.510 -21.531   6.213
  179   HG22  VAL  23          HG22      VAL  23   1.479 -21.977   4.852
  180   HG23  VAL  23          HG23      VAL  23   1.092 -20.561   5.827
  181    H    GLU  24           H        GLU  24   3.667 -20.340   1.588
  182    HA   GLU  24           HA       GLU  24   5.026 -17.858   1.493
  183    HB2  GLU  24           HB2      GLU  24   5.159 -20.255  -0.323
  184    HB3  GLU  24           HB1      GLU  24   6.206 -18.854  -0.477
  185    HG2  GLU  24           HG2      GLU  24   6.007 -20.562   1.986
  186    HG3  GLU  24           HG1      GLU  24   7.231 -20.746   0.730
  187    H    GLN  25           H        GLN  25   2.572 -19.295  -0.510
  188    HA   GLN  25           HA       GLN  25   2.772 -17.345  -2.570
  189    HB2  GLN  25           HB2      GLN  25   0.500 -19.213  -1.904
  190    HB3  GLN  25           HB1      GLN  25   0.602 -18.236  -3.364
  191    HG2  GLN  25           HG2      GLN  25   2.616 -20.320  -2.561
  192    HG3  GLN  25           HG1      GLN  25   1.284 -20.593  -3.677
  193   HE21  GLN  25          1HE2      GLN  25   2.694 -21.134  -5.310
  194   HE22  GLN  25          2HE2      GLN  25   3.639 -19.979  -6.157
  195    H    GLN  26           H        GLN  26   0.743 -17.646   0.295
  196    HA   GLN  26           HA       GLN  26  -0.805 -15.326  -0.234
  197    HB2  GLN  26           HB2      GLN  26  -0.101 -16.559   2.435
  198    HB3  GLN  26           HB1      GLN  26  -1.349 -15.355   2.169
  199    HG2  GLN  26           HG2      GLN  26  -2.588 -16.946   0.788
  200    HG3  GLN  26           HG1      GLN  26  -1.325 -18.149   1.049
  201   HE21  GLN  26          1HE2      GLN  26  -4.100 -18.357   1.753
  202   HE22  GLN  26          2HE2      GLN  26  -4.172 -18.550   3.460
  203    H    ARG  27           H        ARG  27   2.200 -15.891   1.538
  204    HA   ARG  27           HA       ARG  27   2.644 -13.312   2.459
  205    HB2  ARG  27           HB2      ARG  27   4.614 -15.431   1.611
  206    HB3  ARG  27           HB1      ARG  27   5.123 -13.892   2.284
  207    HG2  ARG  27           HG2      ARG  27   3.910 -14.387   4.345
  208    HG3  ARG  27           HG1      ARG  27   3.378 -15.925   3.663
  209    HD2  ARG  27           HD2      ARG  27   5.640 -16.711   3.556
  210    HD3  ARG  27           HD1      ARG  27   6.252 -15.129   4.034
  211    HE   ARG  27           HE       ARG  27   4.631 -15.833   6.075
  212   HH11  ARG  27          HH11      ARG  27   7.191 -17.651   4.478
  213   HH12  ARG  27          HH12      ARG  27   7.868 -18.234   5.928
  214   HH21  ARG  27          HH21      ARG  27   5.479 -16.730   8.033
  215   HH22  ARG  27          HH22      ARG  27   6.853 -17.732   8.003
  216    H    LYS  28           H        LYS  28   3.705 -14.717  -0.630
  217    HA   LYS  28           HA       LYS  28   4.917 -12.430  -1.695
  218    HB2  LYS  28           HB2      LYS  28   3.452 -14.650  -3.112
  219    HB3  LYS  28           HB1      LYS  28   4.453 -13.450  -3.919
  220    HG2  LYS  28           HG2      LYS  28   6.400 -14.238  -2.728
  221    HG3  LYS  28           HG1      LYS  28   5.405 -15.388  -1.832
  222    HD2  LYS  28           HD2      LYS  28   4.835 -16.530  -3.895
  223    HD3  LYS  28           HD1      LYS  28   5.771 -15.362  -4.825
  224    HE2  LYS  28           HE2      LYS  28   6.857 -17.245  -2.735
  225    HE3  LYS  28           HE1      LYS  28   6.998 -17.433  -4.482
  226    HZ1  LYS  28           HZ1      LYS  28   9.012 -16.514  -3.588
  227    HZ2  LYS  28           HZ2      LYS  28   8.195 -15.250  -2.856
  228    HZ3  LYS  28           HZ3      LYS  28   8.263 -15.351  -4.542
  229    H    CYS  29           H        CYS  29   1.570 -13.508  -1.899
  230    HA   CYS  29           HA       CYS  29   0.558 -11.442  -3.478
  231    HB2  CYS  29           HB2      CYS  29  -0.620 -13.263  -1.447
  232    HB3  CYS  29           HB1      CYS  29  -1.600 -11.978  -2.114
  233    H    GLU  30           H        GLU  30   0.767 -11.719   0.060
  234    HA   GLU  30           HA       GLU  30  -0.507  -9.239   0.459
  235    HB2  GLU  30           HB2      GLU  30   1.037 -10.952   2.407
  236    HB3  GLU  30           HB1      GLU  30   0.026  -9.575   2.844
  237    HG2  GLU  30           HG2      GLU  30  -1.916 -10.711   1.827
  238    HG3  GLU  30           HG1      GLU  30  -0.897 -12.104   1.493
  239    H    GLN  31           H        GLN  31   2.772 -10.100  -0.113
  240    HA   GLN  31           HA       GLN  31   3.975  -7.752   0.852
  241    HB2  GLN  31           HB2      GLN  31   4.784  -9.450  -1.522
  242    HB3  GLN  31           HB1      GLN  31   5.762  -8.145  -0.870
  243    HG2  GLN  31           HG2      GLN  31   4.962 -10.672   0.556
  244    HG3  GLN  31           HG1      GLN  31   6.554 -10.294  -0.094
  245   HE21  GLN  31          1HE2      GLN  31   6.517  -7.517   0.805
  246   HE22  GLN  31          2HE2      GLN  31   6.703  -7.566   2.517
  247    H    VAL  32           H        VAL  32   2.273  -8.456  -2.138
  248    HA   VAL  32           HA       VAL  32   2.811  -6.016  -3.477
  249    HB   VAL  32           HB       VAL  32   0.312  -7.735  -3.684
  250   HG11  VAL  32          HG11      VAL  32   1.465  -5.754  -5.642
  251   HG12  VAL  32          HG12      VAL  32   0.000  -5.542  -4.683
  252   HG13  VAL  32          3HG1      VAL  32   0.065  -6.786  -5.932
  253   HG21  VAL  32          HG21      VAL  32   2.859  -7.886  -5.289
  254   HG22  VAL  32          HG22      VAL  32   1.389  -8.795  -5.617
  255   HG23  VAL  32          HG23      VAL  32   2.285  -9.080  -4.123
  256    H    CYS  33           H        CYS  33   0.267  -7.072  -1.302
  257    HA   CYS  33           HA       CYS  33  -1.349  -4.798  -1.293
  258    HB2  CYS  33           HB2      CYS  33  -0.802  -6.521   1.117
  259    HB3  CYS  33           HB1      CYS  33  -2.289  -5.678   0.722
  260    H    GLU  34           H        GLU  34   1.377  -5.722   0.803
  261    HA   GLU  34           HA       GLU  34   1.278  -3.373   2.365
  262    HB2  GLU  34           HB2      GLU  34   2.237  -5.502   3.182
  263    HB3  GLU  34           HB1      GLU  34   3.563  -5.319   2.044
  264    HG2  GLU  34           HG2      GLU  34   4.278  -3.287   3.166
  265    HG3  GLU  34           HG1      GLU  34   2.918  -3.408   4.278
  266    H    GLU  35           H        GLU  35   3.305  -4.316  -0.412
  267    HA   GLU  35           HA       GLU  35   4.862  -1.989  -0.327
  268    HB2  GLU  35           HB2      GLU  35   4.330  -3.934  -2.563
  269    HB3  GLU  35           HB1      GLU  35   5.397  -2.548  -2.755
  270    HG2  GLU  35           HG2      GLU  35   6.807  -3.368  -0.936
  271    HG3  GLU  35           HG1      GLU  35   5.726  -4.740  -0.715
  272    H    ARG  36           H        ARG  36   1.794  -2.630  -1.912
  273    HA   ARG  36           HA       ARG  36   1.682  -0.194  -3.295
  274    HB2  ARG  36           HB2      ARG  36   0.096  -1.983  -3.782
  275    HB3  ARG  36           HB1      ARG  36  -0.589  -1.849  -2.170
  276    HG2  ARG  36           HG2      ARG  36  -1.545   0.260  -2.641
  277    HG3  ARG  36           HG1      ARG  36  -0.615   0.426  -4.128
  278    HD2  ARG  36           HD2      ARG  36  -2.920  -0.133  -4.608
  279    HD3  ARG  36           HD1      ARG  36  -1.833  -1.426  -5.104
  280    HE   ARG  36           HE       ARG  36  -3.015  -1.742  -2.497
  281   HH11  ARG  36          HH11      ARG  36  -3.258  -2.416  -5.970
  282   HH12  ARG  36          HH12      ARG  36  -4.344  -3.708  -5.802
  283   HH21  ARG  36          HH21      ARG  36  -4.652  -3.590  -2.292
  284   HH22  ARG  36          HH22      ARG  36  -5.105  -4.343  -3.746
  285    H    LEU  37           H        LEU  37   0.914  -0.998   0.037
  286    HA   LEU  37           HA       LEU  37   0.085   1.678   0.541
  287    HB2  LEU  37           HB2      LEU  37   0.415  -0.703   2.254
  288    HB3  LEU  37           HB1      LEU  37   0.437   0.876   3.020
  289    HG   LEU  37           HG       LEU  37  -1.680   1.356   1.866
  290   HD11  LEU  37          HD11      LEU  37  -3.111  -0.606   1.238
  291   HD12  LEU  37          HD12      LEU  37  -1.570  -1.485   1.023
  292   HD13  LEU  37          HD13      LEU  37  -1.895  -0.028   0.122
  293   HD21  LEU  37          HD21      LEU  37  -3.058   0.149   3.490
  294   HD22  LEU  37          HD22      LEU  37  -1.614   0.914   4.165
  295   HD23  LEU  37          HD23      LEU  37  -1.639  -0.831   3.900
  296    H    ARG  38           H        ARG  38   3.100   0.055   0.610
  297    HA   ARG  38           HA       ARG  38   4.481   2.017   2.114
  298    HB2  ARG  38           HB2      ARG  38   5.527   0.296  -0.148
  299    HB3  ARG  38           HB1      ARG  38   6.531   1.233   0.945
  300    HG2  ARG  38           HG2      ARG  38   5.742  -0.152   2.820
  301    HG3  ARG  38           HG1      ARG  38   4.785  -1.107   1.686
  302    HD2  ARG  38           HD2      ARG  38   6.878  -1.612   0.445
  303    HD3  ARG  38           HD1      ARG  38   7.772  -0.778   1.711
  304    HE   ARG  38           HE       ARG  38   6.139  -2.794   2.820
  305   HH11  ARG  38          HH11      ARG  38   9.135  -2.337   1.012
  306   HH12  ARG  38          HH12      ARG  38   9.865  -3.769   1.558
  307   HH21  ARG  38          HH21      ARG  38   7.072  -4.803   3.526
  308   HH22  ARG  38          HH22      ARG  38   8.647  -5.241   2.995
  309    H    GLU  39           H        GLU  39   3.514   1.730  -1.210
  310    HA   GLU  39           HA       GLU  39   4.697   4.061  -2.222
  311    HB2  GLU  39           HB2      GLU  39   2.194   2.594  -3.037
  312    HB3  GLU  39           HB1      GLU  39   2.862   3.942  -3.948
  313    HG2  GLU  39           HG2      GLU  39   4.361   1.409  -3.338
  314    HG3  GLU  39           HG1      GLU  39   3.464   1.694  -4.829
  315    H    ARG  40           H        ARG  40   2.036   3.671  -0.056
  316    HA   ARG  40           HA       ARG  40   1.061   6.365  -0.495
  317    HB2  ARG  40           HB2      ARG  40   0.357   4.214   1.507
  318    HB3  ARG  40           HB1      ARG  40  -0.343   5.819   1.561
  319    HG2  ARG  40           HG2      ARG  40  -0.574   3.959  -0.793
  320    HG3  ARG  40           HG1      ARG  40  -1.772   4.082   0.495
  321    HD2  ARG  40           HD2      ARG  40  -0.902   6.320  -1.346
  322    HD3  ARG  40           HD1      ARG  40  -2.415   5.428  -1.445
  323    HE   ARG  40           HE       ARG  40  -1.645   7.201   0.774
  324   HH11  ARG  40          HH11      ARG  40  -4.193   5.738  -1.239
  325   HH12  ARG  40          HH12      ARG  40  -5.455   6.603  -0.514
  326   HH21  ARG  40          HH21      ARG  40  -3.404   8.418   1.769
  327   HH22  ARG  40          HH22      ARG  40  -4.998   8.161   1.247
  328    H    GLU  41           H        GLU  41   2.840   4.508   1.911
  329    HA   GLU  41           HA       GLU  41   3.143   6.592   3.808
  330    HB2  GLU  41           HB2      GLU  41   4.890   4.176   3.427
  331    HB3  GLU  41           HB1      GLU  41   4.709   5.129   4.892
  332    HG2  GLU  41           HG2      GLU  41   2.366   4.431   5.034
  333    HG3  GLU  41           HG1      GLU  41   2.587   3.460   3.586
  334    H    GLN  42           H        GLN  42   5.269   5.315   1.289
  335    HA   GLN  42           HA       GLN  42   7.285   7.311   1.884
  336    HB2  GLN  42           HB2      GLN  42   7.180   5.092  -0.148
  337    HB3  GLN  42           HB1      GLN  42   8.571   6.124   0.119
  338    HG2  GLN  42           HG2      GLN  42   8.688   5.277   2.445
  339    HG3  GLN  42           HG1      GLN  42   7.348   4.193   2.075
  340   HE21  GLN  42          1HE2      GLN  42   8.547   2.375   2.443
  341   HE22  GLN  42          2HE2      GLN  42   9.820   1.840   1.396
  342    H    GLY  43           H        GLY  43   4.603   6.904  -0.096
  343    HA2  GLY  43           HA2      GLY  43   3.649   8.214  -1.712
  344    HA3  GLY  43           HA1      GLY  43   4.813   9.461  -1.270
  345    H    ARG  44           H        ARG  44   6.112  10.043  -2.816
  346    HA   ARG  44           HA       ARG  44   6.878   8.038  -4.812
  347    HB2  ARG  44           HB2      ARG  44   6.990   9.867  -6.478
  348    HB3  ARG  44           HB1      ARG  44   5.368   9.630  -5.848
  349    HG2  ARG  44           HG2      ARG  44   5.648  11.559  -4.382
  350    HG3  ARG  44           HG1      ARG  44   7.287  11.787  -4.993
  351    HD2  ARG  44           HD2      ARG  44   4.766  11.903  -6.639
  352    HD3  ARG  44           HD1      ARG  44   5.676  13.293  -6.057
  353    HE   ARG  44           HE       ARG  44   7.387  11.620  -7.499
  354   HH11  ARG  44          HH11      ARG  44   4.683  13.849  -8.070
  355   HH12  ARG  44          HH12      ARG  44   5.147  14.243  -9.651
  356   HH21  ARG  44          HH21      ARG  44   8.015  12.153  -9.702
  357   HH22  ARG  44          HH22      ARG  44   7.085  13.286 -10.592
  358    H    GLY  45           H        GLY  45   7.987   9.414  -2.233
  359    HA2  GLY  45           HA2      GLY  45  10.579   9.043  -2.390
  360    HA3  GLY  45           HA1      GLY  45  10.443  10.535  -3.317
  361    H    GLU  46           H        GLU  46   9.217   9.182  -0.278
  362    HA   GLU  46           HA       GLU  46   9.276  11.703   1.071
  363    HB2  GLU  46           HB2      GLU  46   7.861   9.717   1.769
  364    HB3  GLU  46           HB1      GLU  46   9.341   8.920   2.280
  365    HG2  GLU  46           HG2      GLU  46   8.266   9.843   4.206
  366    HG3  GLU  46           HG1      GLU  46   9.725  10.778   3.882
  367    H    ASP  47           H        ASP  47  11.228   8.971   0.720
  368    HA   ASP  47           HA       ASP  47  13.510  10.069   2.175
  369    HB2  ASP  47           HB2      ASP  47  13.269   7.420   0.695
  370    HB3  ASP  47           HB1      ASP  47  14.523   7.882   1.827
  371    H    VAL  48           H        VAL  48  14.411  11.530   0.889
  372    HA   VAL  48           HA       VAL  48  14.159  11.515  -1.945
  373    HB   VAL  48           HB       VAL  48  16.096  13.184  -0.316
  374   HG11  VAL  48          HG11      VAL  48  16.000  14.739  -2.216
  375   HG12  VAL  48          HG12      VAL  48  14.974  13.596  -3.084
  376   HG13  VAL  48          3HG1      VAL  48  16.633  13.159  -2.680
  377   HG21  VAL  48          HG21      VAL  48  13.274  13.822  -1.173
  378   HG22  VAL  48          HG22      VAL  48  14.384  14.942  -0.384
  379   HG23  VAL  48          HG23      VAL  48  13.813  13.512   0.477
  380    H    ASP  49           H        ASP  49  14.990   9.736  -2.822
  381    HA   ASP  49           HA       ASP  49  17.772   9.613  -3.341
  382    HB2  ASP  49           HB2      ASP  49  17.743   8.449  -1.133
  383    HB3  ASP  49           HB1      ASP  49  16.546   7.323  -1.763
  Start of MODEL   17
    1    H    PCA   1           H        PGL   1 -15.690   6.731   2.337
    2    HA   PCA   1           HA       PGL   1 -14.048   7.239   0.451
    3    HB2  PCA   1           HB1      PGL   1 -11.887   7.419   1.161
    4    HB3  PCA   1           HB2      PGL   1 -11.902   5.694   1.617
    5    HG2  PCA   1           HG1      PGL   1 -12.090   8.023   3.362
    6    HG3  PCA   1           HG2      PGL   1 -12.008   6.283   3.806
    7    H    ARG   2           H        ARG   2 -14.829   5.870  -0.986
    8    HA   ARG   2           HA       ARG   2 -15.202   3.127  -0.246
    9    HB2  ARG   2           HB2      ARG   2 -16.204   2.829  -2.534
   10    HB3  ARG   2           HB1      ARG   2 -17.012   4.006  -1.521
   11    HG2  ARG   2           HG2      ARG   2 -15.914   5.815  -2.766
   12    HG3  ARG   2           HG1      ARG   2 -15.115   4.616  -3.787
   13    HD2  ARG   2           HD2      ARG   2 -17.131   5.545  -4.854
   14    HD3  ARG   2           HD1      ARG   2 -17.275   3.811  -4.568
   15    HE   ARG   2           HE       ARG   2 -18.333   5.265  -2.387
   16   HH11  ARG   2          HH11      ARG   2 -19.203   4.408  -5.725
   17   HH12  ARG   2          HH12      ARG   2 -20.885   4.486  -5.402
   18   HH21  ARG   2          HH21      ARG   2 -20.556   5.304  -1.998
   19   HH22  ARG   2          HH22      ARG   2 -21.674   4.967  -3.243
   20    H    GLY   3           H        GLY   3 -13.599   1.868  -0.189
   21    HA2  GLY   3           HA2      GLY   3 -11.894   0.565  -1.204
   22    HA3  GLY   3           HA1      GLY   3 -11.685   1.839  -2.406
   23    H    SER   4           H        SER   4 -11.759   1.819   1.135
   24    HA   SER   4           HA       SER   4  -9.806   3.831   1.361
   25    HB2  SER   4           HB2      SER   4 -10.753   1.823   3.419
   26    HB3  SER   4           HB1      SER   4  -9.866   3.312   3.754
   27    HG   SER   4           HG       SER   4 -12.095   3.733   2.230
   28    HA   PRO   5           HA       PRO   5  -5.903   1.938   0.665
   29    HB2  PRO   5           HB2      PRO   5  -5.119   2.954   3.355
   30    HB3  PRO   5           HB1      PRO   5  -4.286   3.116   1.805
   31    HG2  PRO   5           HG2      PRO   5  -5.658   5.142   2.817
   32    HG3  PRO   5           HG1      PRO   5  -5.698   4.806   1.074
   33    HD2  PRO   5           HD2      PRO   5  -7.769   4.328   3.156
   34    HD3  PRO   5           HD1      PRO   5  -7.957   4.738   1.438
   35    H    ARG   6           H        ARG   6  -6.773   1.522   4.124
   36    HA   ARG   6           HA       ARG   6  -5.147  -0.866   4.239
   37    HB2  ARG   6           HB2      ARG   6  -7.117   0.019   6.351
   38    HB3  ARG   6           HB1      ARG   6  -5.760  -1.068   6.540
   39    HG2  ARG   6           HG2      ARG   6  -5.604   1.877   5.977
   40    HG3  ARG   6           HG1      ARG   6  -5.282   1.087   7.515
   41    HD2  ARG   6           HD2      ARG   6  -3.363  -0.081   6.475
   42    HD3  ARG   6           HD1      ARG   6  -3.706   0.755   4.957
   43    HE   ARG   6           HE       ARG   6  -3.475   2.525   7.154
   44   HH11  ARG   6          HH11      ARG   6  -1.390   0.726   4.857
   45   HH12  ARG   6          HH12      ARG   6  -0.181   1.926   4.879
   46   HH21  ARG   6          HH21      ARG   6  -1.807   4.072   7.172
   47   HH22  ARG   6          HH22      ARG   6  -0.420   3.877   6.206
   48    H    ALA   7           H        ALA   7  -8.448  -0.106   3.697
   49    HA   ALA   7           HA       ALA   7  -9.531  -2.685   4.108
   50    HB1  ALA   7           HB1      ALA   7 -10.443  -0.524   2.210
   51    HB2  ALA   7           HB2      ALA   7 -10.941  -0.704   3.891
   52    HB3  ALA   7           HB3      ALA   7 -11.391  -1.929   2.703
   53    H    GLU   8           H        GLU   8  -8.388  -1.011   1.208
   54    HA   GLU   8           HA       GLU   8  -8.636  -3.111  -0.622
   55    HB2  GLU   8           HB2      GLU   8  -6.662  -0.830  -0.551
   56    HB3  GLU   8           HB1      GLU   8  -6.866  -1.904  -1.927
   57    HG2  GLU   8           HG2      GLU   8  -9.005  -0.134  -0.765
   58    HG3  GLU   8           HG1      GLU   8  -8.059   0.211  -2.212
   59    H    TYR   9           H        TYR   9  -6.092  -2.313   1.597
   60    HA   TYR   9           HA       TYR   9  -4.132  -4.155   0.864
   61    HB2  TYR   9           HB2      TYR   9  -3.707  -2.385   2.475
   62    HB3  TYR   9           HB1      TYR   9  -4.903  -3.051   3.571
   63    HD1  TYR   9           HD1      TYR   9  -4.270  -4.560   5.216
   64    HD2  TYR   9           HD2      TYR   9  -1.652  -3.803   1.978
   65    HE1  TYR   9           HE1      TYR   9  -2.554  -5.861   6.346
   66    HE2  TYR   9           HE2      TYR   9   0.097  -5.091   3.059
   67    HH   TYR   9           HH       TYR   9   0.754  -5.842   5.388
   68    H    GLU  10           H        GLU  10  -6.731  -4.471   3.274
   69    HA   GLU  10           HA       GLU  10  -6.246  -7.191   3.811
   70    HB2  GLU  10           HB2      GLU  10  -8.648  -5.455   4.319
   71    HB3  GLU  10           HB1      GLU  10  -8.527  -7.129   4.857
   72    HG2  GLU  10           HG2      GLU  10  -6.630  -4.932   5.637
   73    HG3  GLU  10           HG1      GLU  10  -8.000  -5.471   6.606
   74    H    VAL  11           H        VAL  11  -8.420  -5.574   1.545
   75    HA   VAL  11           HA       VAL  11  -9.874  -7.793   0.670
   76    HB   VAL  11           HB       VAL  11  -8.975  -5.418  -1.009
   77   HG11  VAL  11          HG11      VAL  11 -10.849  -5.979  -2.497
   78   HG12  VAL  11          HG12      VAL  11 -11.177  -7.420  -1.536
   79   HG13  VAL  11          3HG1      VAL  11  -9.664  -7.284  -2.433
   80   HG21  VAL  11          HG21      VAL  11 -11.537  -5.933   0.484
   81   HG22  VAL  11          HG22      VAL  11 -11.233  -4.557  -0.580
   82   HG23  VAL  11          HG23      VAL  11 -10.300  -4.749   0.905
   83    H    CYS  12           H        CYS  12  -6.794  -6.542  -0.519
   84    HA   CYS  12           HA       CYS  12  -6.219  -8.360  -2.529
   85    HB2  CYS  12           HB2      CYS  12  -4.789  -6.456  -2.164
   86    HB3  CYS  12           HB1      CYS  12  -4.401  -6.994  -0.537
   87    H    ARG  13           H        ARG  13  -5.666  -8.618   0.925
   88    HA   ARG  13           HA       ARG  13  -4.319 -11.114   0.834
   89    HB2  ARG  13           HB2      ARG  13  -5.735  -9.811   3.162
   90    HB3  ARG  13           HB1      ARG  13  -4.484 -11.047   3.246
   91    HG2  ARG  13           HG2      ARG  13  -2.866  -9.498   2.289
   92    HG3  ARG  13           HG1      ARG  13  -4.115  -8.266   2.163
   93    HD2  ARG  13           HD2      ARG  13  -2.810  -7.818   4.116
   94    HD3  ARG  13           HD1      ARG  13  -4.402  -8.376   4.622
   95    HE   ARG  13           HE       ARG  13  -2.389 -10.423   4.431
   96   HH11  ARG  13          HH11      ARG  13  -4.048  -8.107   6.599
   97   HH12  ARG  13          HH12      ARG  13  -3.478  -8.882   8.003
   98   HH21  ARG  13          HH21      ARG  13  -1.615 -11.388   6.353
   99   HH22  ARG  13          HH22      ARG  13  -2.089 -10.785   7.885
  100    H    LEU  14           H        LEU  14  -7.613 -10.076   1.458
  101    HA   LEU  14           HA       LEU  14  -8.731 -12.512   2.220
  102    HB2  LEU  14           HB2      LEU  14  -9.789 -10.301   2.511
  103    HB3  LEU  14           HB1      LEU  14 -10.043 -10.210   0.783
  104    HG   LEU  14           HG       LEU  14 -11.543 -12.178   0.931
  105   HD11  LEU  14          HD11      LEU  14 -10.635 -13.224   2.925
  106   HD12  LEU  14          HD12      LEU  14 -12.353 -12.892   3.134
  107   HD13  LEU  14          HD13      LEU  14 -11.156 -11.852   3.903
  108   HD21  LEU  14          HD21      LEU  14 -12.271  -9.850   2.710
  109   HD22  LEU  14          HD22      LEU  14 -13.409 -10.987   1.985
  110   HD23  LEU  14          HD23      LEU  14 -12.456  -9.917   0.957
  111    H    ARG  15           H        ARG  15  -8.349 -11.029  -0.964
  112    HA   ARG  15           HA       ARG  15  -9.778 -13.037  -2.383
  113    HB2  ARG  15           HB2      ARG  15  -7.597 -11.245  -3.463
  114    HB3  ARG  15           HB1      ARG  15  -8.777 -12.132  -4.411
  115    HG2  ARG  15           HG2      ARG  15  -9.325  -9.845  -2.539
  116    HG3  ARG  15           HG1      ARG  15  -9.372  -9.795  -4.295
  117    HD2  ARG  15           HD2      ARG  15 -11.242 -11.401  -4.262
  118    HD3  ARG  15           HD1      ARG  15 -11.201 -11.392  -2.494
  119    HE   ARG  15           HE       ARG  15 -11.535  -8.876  -3.913
  120   HH11  ARG  15          HH11      ARG  15 -13.044 -11.382  -1.866
  121   HH12  ARG  15          HH12      ARG  15 -14.377 -10.417  -1.455
  122   HH21  ARG  15          HH21      ARG  15 -13.389  -7.572  -3.325
  123   HH22  ARG  15          HH22      ARG  15 -14.590  -8.216  -2.323
  124    H    CYS  16           H        CYS  16  -6.377 -12.636  -1.560
  125    HA   CYS  16           HA       CYS  16  -5.557 -14.894  -3.014
  126    HB2  CYS  16           HB2      CYS  16  -4.238 -13.354  -0.804
  127    HB3  CYS  16           HB1      CYS  16  -3.486 -14.745  -1.578
  128    H    GLN  17           H        GLN  17  -6.484 -14.512   0.414
  129    HA   GLN  17           HA       GLN  17  -5.734 -17.150   1.024
  130    HB2  GLN  17           HB2      GLN  17  -7.074 -16.941   3.097
  131    HB3  GLN  17           HB1      GLN  17  -5.916 -15.644   2.861
  132    HG2  GLN  17           HG2      GLN  17  -7.668 -14.177   2.159
  133    HG3  GLN  17           HG1      GLN  17  -8.855 -15.477   2.274
  134   HE21  GLN  17          1HE2      GLN  17  -9.479 -16.199   4.277
  135   HE22  GLN  17          2HE2      GLN  17  -9.252 -15.281   5.713
  136    H    VAL  18           H        VAL  18  -8.654 -15.938  -0.373
  137    HA   VAL  18           HA       VAL  18  -9.933 -18.466   0.051
  138    HB   VAL  18           HB       VAL  18 -11.357 -16.474  -0.005
  139   HG11  VAL  18          HG11      VAL  18 -10.103 -15.154  -1.535
  140   HG12  VAL  18          HG12      VAL  18 -11.783 -15.276  -2.082
  141   HG13  VAL  18          3HG1      VAL  18 -10.511 -16.246  -2.853
  142   HG21  VAL  18          HG21      VAL  18 -12.363 -18.604  -0.662
  143   HG22  VAL  18          HG22      VAL  18 -11.931 -18.290  -2.342
  144   HG23  VAL  18          HG23      VAL  18 -13.101 -17.254  -1.525
  145    H    ALA  19           H        ALA  19  -8.158 -16.942  -2.546
  146    HA   ALA  19           HA       ALA  19  -8.850 -18.986  -4.460
  147    HB1  ALA  19           HB1      ALA  19  -8.459 -16.665  -5.160
  148    HB2  ALA  19           HB2      ALA  19  -7.399 -17.803  -5.994
  149    HB3  ALA  19           HB3      ALA  19  -6.771 -16.817  -4.673
  150    H    GLU  20           H        GLU  20  -5.888 -18.084  -2.721
  151    HA   GLU  20           HA       GLU  20  -4.545 -20.425  -3.789
  152    HB2  GLU  20           HB2      GLU  20  -3.534 -18.139  -2.102
  153    HB3  GLU  20           HB1      GLU  20  -2.538 -19.462  -2.679
  154    HG2  GLU  20           HG2      GLU  20  -3.945 -17.385  -4.337
  155    HG3  GLU  20           HG1      GLU  20  -2.208 -17.550  -4.085
  156    H    ARG  21           H        ARG  21  -3.254 -21.732  -2.275
  157    HA   ARG  21           HA       ARG  21  -4.515 -21.940   0.352
  158    HB2  ARG  21           HB2      ARG  21  -4.625 -24.380   0.137
  159    HB3  ARG  21           HB1      ARG  21  -5.579 -23.584  -1.104
  160    HG2  ARG  21           HG2      ARG  21  -3.661 -23.927  -2.681
  161    HG3  ARG  21           HG1      ARG  21  -2.897 -24.911  -1.431
  162    HD2  ARG  21           HD2      ARG  21  -4.079 -26.342  -2.987
  163    HD3  ARG  21           HD1      ARG  21  -4.888 -26.377  -1.420
  164    HE   ARG  21           HE       ARG  21  -5.929 -24.401  -3.200
  165   HH11  ARG  21          HH11      ARG  21  -6.155 -27.840  -2.384
  166   HH12  ARG  21          HH12      ARG  21  -7.739 -28.012  -2.947
  167   HH21  ARG  21          HH21      ARG  21  -8.101 -24.638  -3.950
  168   HH22  ARG  21          HH22      ARG  21  -8.889 -26.143  -3.853
  169    H    GLY  22           H        GLY  22  -1.839 -21.301  -1.125
  170    HA2  GLY  22           HA2      GLY  22  -0.100 -22.874   0.660
  171    HA3  GLY  22           HA1      GLY  22   0.430 -22.038  -0.802
  172    H    VAL  23           H        VAL  23   1.156 -21.887   2.158
  173    HA   VAL  23           HA       VAL  23   0.233 -19.391   3.115
  174    HB   VAL  23           HB       VAL  23   2.691 -20.951   3.990
  175   HG11  VAL  23          HG11      VAL  23   1.137 -18.819   5.450
  176   HG12  VAL  23          HG12      VAL  23   2.756 -18.644   4.776
  177   HG13  VAL  23          3HG1      VAL  23   2.474 -19.756   6.115
  178   HG21  VAL  23          HG21      VAL  23   0.660 -22.298   4.157
  179   HG22  VAL  23          HG22      VAL  23  -0.125 -21.014   5.075
  180   HG23  VAL  23          HG23      VAL  23   1.260 -21.863   5.758
  181    H    GLU  24           H        GLU  24   3.095 -20.355   1.313
  182    HA   GLU  24           HA       GLU  24   4.303 -17.846   1.548
  183    HB2  GLU  24           HB2      GLU  24   5.708 -18.626  -0.448
  184    HB3  GLU  24           HB1      GLU  24   5.850 -19.507   1.068
  185    HG2  GLU  24           HG2      GLU  24   5.877 -21.032  -0.787
  186    HG3  GLU  24           HG1      GLU  24   4.370 -21.247   0.095
  187    H    GLN  25           H        GLN  25   2.003 -19.029  -0.759
  188    HA   GLN  25           HA       GLN  25   2.199 -16.854  -2.556
  189    HB2  GLN  25           HB2      GLN  25  -0.169 -18.620  -1.923
  190    HB3  GLN  25           HB1      GLN  25  -0.155 -17.429  -3.210
  191    HG2  GLN  25           HG2      GLN  25   1.661 -19.820  -3.010
  192    HG3  GLN  25           HG1      GLN  25   0.223 -19.702  -4.017
  193   HE21  GLN  25          1HE2      GLN  25   0.822 -16.888  -4.787
  194   HE22  GLN  25          2HE2      GLN  25   2.130 -17.007  -5.893
  195    H    GLN  26           H        GLN  26   0.250 -17.395   0.320
  196    HA   GLN  26           HA       GLN  26  -1.245 -14.976   0.152
  197    HB2  GLN  26           HB2      GLN  26  -0.572 -16.329   2.761
  198    HB3  GLN  26           HB1      GLN  26  -2.018 -15.438   2.315
  199    HG2  GLN  26           HG2      GLN  26  -1.248 -18.184   1.371
  200    HG3  GLN  26           HG1      GLN  26  -2.491 -17.781   2.541
  201   HE21  GLN  26          1HE2      GLN  26  -4.064 -18.786   1.397
  202   HE22  GLN  26          2HE2      GLN  26  -4.674 -18.161  -0.097
  203    H    ARG  27           H        ARG  27   1.692 -15.891   1.855
  204    HA   ARG  27           HA       ARG  27   2.143 -13.422   3.061
  205    HB2  ARG  27           HB2      ARG  27   4.075 -15.606   2.291
  206    HB3  ARG  27           HB1      ARG  27   4.588 -14.152   3.134
  207    HG2  ARG  27           HG2      ARG  27   3.057 -14.681   4.976
  208    HG3  ARG  27           HG1      ARG  27   2.564 -16.148   4.132
  209    HD2  ARG  27           HD2      ARG  27   5.395 -15.545   4.969
  210    HD3  ARG  27           HD1      ARG  27   4.270 -16.497   5.933
  211    HE   ARG  27           HE       ARG  27   4.223 -17.779   3.598
  212   HH11  ARG  27          HH11      ARG  27   6.972 -16.642   5.549
  213   HH12  ARG  27          HH12      ARG  27   7.987 -17.943   5.135
  214   HH21  ARG  27          HH21      ARG  27   5.697 -19.670   3.070
  215   HH22  ARG  27          HH22      ARG  27   7.272 -19.618   3.707
  216    H    LYS  28           H        LYS  28   3.101 -14.572  -0.143
  217    HA   LYS  28           HA       LYS  28   4.477 -12.187  -0.778
  218    HB2  LYS  28           HB2      LYS  28   3.410 -14.409  -2.483
  219    HB3  LYS  28           HB1      LYS  28   4.020 -12.941  -3.233
  220    HG2  LYS  28           HG2      LYS  28   6.180 -13.277  -2.107
  221    HG3  LYS  28           HG1      LYS  28   5.556 -14.764  -1.396
  222    HD2  LYS  28           HD2      LYS  28   5.638 -14.308  -4.368
  223    HD3  LYS  28           HD1      LYS  28   7.004 -14.991  -3.492
  224    HE2  LYS  28           HE2      LYS  28   4.208 -16.142  -3.525
  225    HE3  LYS  28           HE1      LYS  28   5.544 -16.699  -4.530
  226    HZ1  LYS  28           HZ1      LYS  28   6.765 -17.273  -2.546
  227    HZ2  LYS  28           HZ2      LYS  28   5.293 -18.083  -2.564
  228    HZ3  LYS  28           HZ3      LYS  28   5.516 -16.739  -1.554
  229    H    CYS  29           H        CYS  29   1.127 -13.116  -1.096
  230    HA   CYS  29           HA       CYS  29   0.249 -10.939  -2.606
  231    HB2  CYS  29           HB2      CYS  29  -1.075 -12.704  -0.601
  232    HB3  CYS  29           HB1      CYS  29  -1.979 -11.375  -1.292
  233    H    GLU  30           H        GLU  30   0.340 -11.271   0.946
  234    HA   GLU  30           HA       GLU  30  -0.441  -8.578   1.258
  235    HB2  GLU  30           HB2      GLU  30   0.205  -8.901   3.681
  236    HB3  GLU  30           HB1      GLU  30  -1.034  -9.970   3.062
  237    HG2  GLU  30           HG2      GLU  30   0.671 -11.735   2.818
  238    HG3  GLU  30           HG1      GLU  30   1.852 -10.648   3.552
  239    H    GLN  31           H        GLN  31   2.605 -10.116   0.888
  240    HA   GLN  31           HA       GLN  31   4.313  -8.066   1.730
  241    HB2  GLN  31           HB2      GLN  31   5.080 -10.309   1.169
  242    HB3  GLN  31           HB1      GLN  31   4.603 -10.067  -0.495
  243    HG2  GLN  31           HG2      GLN  31   6.313  -8.360  -0.755
  244    HG3  GLN  31           HG1      GLN  31   6.794  -8.579   0.930
  245   HE21  GLN  31          1HE2      GLN  31   8.281  -9.004  -1.573
  246   HE22  GLN  31          2HE2      GLN  31   8.824 -10.643  -1.482
  247    H    VAL  32           H        VAL  32   3.210  -8.818  -1.580
  248    HA   VAL  32           HA       VAL  32   4.293  -6.484  -2.718
  249    HB   VAL  32           HB       VAL  32   2.078  -8.257  -3.807
  250   HG11  VAL  32          HG11      VAL  32   3.877  -6.305  -5.247
  251   HG12  VAL  32          HG12      VAL  32   2.160  -6.078  -4.931
  252   HG13  VAL  32          3HG1      VAL  32   2.695  -7.373  -6.004
  253   HG21  VAL  32          HG21      VAL  32   5.057  -8.321  -4.276
  254   HG22  VAL  32          HG22      VAL  32   3.866  -9.325  -5.101
  255   HG23  VAL  32          HG23      VAL  32   4.119  -9.506  -3.365
  256    H    CYS  33           H        CYS  33   1.081  -7.232  -1.483
  257    HA   CYS  33           HA       CYS  33   0.090  -4.739  -2.320
  258    HB2  CYS  33           HB2      CYS  33  -1.042  -6.830  -0.505
  259    HB3  CYS  33           HB1      CYS  33  -1.868  -5.293  -0.752
  260    H    GLU  34           H        GLU  34   1.727  -5.690   0.650
  261    HA   GLU  34           HA       GLU  34   0.955  -3.319   2.030
  262    HB2  GLU  34           HB2      GLU  34   1.973  -5.481   3.058
  263    HB3  GLU  34           HB1      GLU  34   3.499  -4.830   2.508
  264    HG2  GLU  34           HG2      GLU  34   3.248  -2.869   3.832
  265    HG3  GLU  34           HG1      GLU  34   1.630  -3.367   4.323
  266    H    GLU  35           H        GLU  35   3.734  -4.222   0.035
  267    HA   GLU  35           HA       GLU  35   4.955  -1.700   0.385
  268    HB2  GLU  35           HB2      GLU  35   6.355  -2.307  -1.625
  269    HB3  GLU  35           HB1      GLU  35   6.407  -3.453  -0.296
  270    HG2  GLU  35           HG2      GLU  35   4.883  -4.902  -1.462
  271    HG3  GLU  35           HG1      GLU  35   4.763  -3.745  -2.785
  272    H    ARG  36           H        ARG  36   2.589  -2.914  -1.878
  273    HA   ARG  36           HA       ARG  36   2.442  -0.713  -3.622
  274    HB2  ARG  36           HB2      ARG  36   1.138  -2.857  -3.873
  275    HB3  ARG  36           HB1      ARG  36   0.099  -2.320  -2.561
  276    HG2  ARG  36           HG2      ARG  36  -0.501  -0.330  -3.923
  277    HG3  ARG  36           HG1      ARG  36   0.425  -1.014  -5.256
  278    HD2  ARG  36           HD2      ARG  36  -1.800  -1.639  -5.680
  279    HD3  ARG  36           HD1      ARG  36  -1.041  -3.073  -4.999
  280    HE   ARG  36           HE       ARG  36  -2.395  -1.381  -3.091
  281   HH11  ARG  36          HH11      ARG  36  -2.675  -4.216  -5.191
  282   HH12  ARG  36          HH12      ARG  36  -4.128  -4.760  -4.488
  283   HH21  ARG  36          HH21      ARG  36  -4.390  -2.113  -2.158
  284   HH22  ARG  36          HH22      ARG  36  -5.124  -3.562  -2.729
  285    H    LEU  37           H        LEU  37   0.830  -1.384  -0.549
  286    HA   LEU  37           HA       LEU  37  -0.565   0.986  -0.204
  287    HB2  LEU  37           HB2      LEU  37   0.382  -1.227   1.473
  288    HB3  LEU  37           HB1      LEU  37   0.110   0.252   2.353
  289    HG   LEU  37           HG       LEU  37  -1.802  -1.344   2.378
  290   HD11  LEU  37          HD11      LEU  37  -2.090   0.988   2.818
  291   HD12  LEU  37          HD12      LEU  37  -3.488   0.323   1.965
  292   HD13  LEU  37          HD13      LEU  37  -2.307   1.319   1.094
  293   HD21  LEU  37          HD21      LEU  37  -3.241  -1.507   0.400
  294   HD22  LEU  37          HD22      LEU  37  -1.647  -2.191   0.082
  295   HD23  LEU  37          HD23      LEU  37  -2.061  -0.595  -0.542
  296    H    ARG  38           H        ARG  38   2.708   0.141   0.784
  297    HA   ARG  38           HA       ARG  38   3.366   2.572   2.031
  298    HB2  ARG  38           HB2      ARG  38   5.206   0.653   0.589
  299    HB3  ARG  38           HB1      ARG  38   5.734   1.946   1.652
  300    HG2  ARG  38           HG2      ARG  38   4.073  -0.440   2.454
  301    HG3  ARG  38           HG1      ARG  38   5.787  -0.202   2.794
  302    HD2  ARG  38           HD2      ARG  38   3.512   1.513   3.805
  303    HD3  ARG  38           HD1      ARG  38   4.421   0.330   4.736
  304    HE   ARG  38           HE       ARG  38   6.412   1.769   4.172
  305   HH11  ARG  38          HH11      ARG  38   3.136   3.166   4.565
  306   HH12  ARG  38          HH12      ARG  38   3.751   4.635   5.143
  307   HH21  ARG  38          HH21      ARG  38   7.160   3.847   4.984
  308   HH22  ARG  38          HH22      ARG  38   6.011   5.044   5.368
  309    H    GLU  39           H        GLU  39   3.601   1.608  -1.348
  310    HA   GLU  39           HA       GLU  39   4.835   3.975  -2.282
  311    HB2  GLU  39           HB2      GLU  39   3.032   2.018  -3.710
  312    HB3  GLU  39           HB1      GLU  39   3.979   3.269  -4.502
  313    HG2  GLU  39           HG2      GLU  39   5.133   1.031  -2.857
  314    HG3  GLU  39           HG1      GLU  39   4.998   1.019  -4.612
  315    H    ARG  40           H        ARG  40   1.494   3.025  -1.834
  316    HA   ARG  40           HA       ARG  40   0.336   5.329  -3.013
  317    HB2  ARG  40           HB2      ARG  40  -0.828   3.477  -0.921
  318    HB3  ARG  40           HB1      ARG  40  -1.735   4.691  -1.804
  319    HG2  ARG  40           HG2      ARG  40  -0.388   2.264  -2.990
  320    HG3  ARG  40           HG1      ARG  40  -2.117   2.466  -2.713
  321    HD2  ARG  40           HD2      ARG  40  -0.398   4.091  -4.596
  322    HD3  ARG  40           HD1      ARG  40  -1.569   2.858  -5.050
  323    HE   ARG  40           HE       ARG  40  -2.933   4.704  -3.530
  324   HH11  ARG  40          HH11      ARG  40  -1.298   4.623  -6.672
  325   HH12  ARG  40          HH12      ARG  40  -2.174   5.927  -7.315
  326   HH21  ARG  40          HH21      ARG  40  -4.099   6.524  -4.405
  327   HH22  ARG  40          HH22      ARG  40  -3.798   7.042  -5.993
  328    H    GLU  41           H        GLU  41   1.273   4.552   0.294
  329    HA   GLU  41           HA       GLU  41   0.215   6.893   1.481
  330    HB2  GLU  41           HB2      GLU  41   2.453   5.113   2.418
  331    HB3  GLU  41           HB1      GLU  41   1.717   6.381   3.378
  332    HG2  GLU  41           HG2      GLU  41  -0.442   5.178   3.200
  333    HG3  GLU  41           HG1      GLU  41   0.410   3.875   2.367
  334    H    GLN  42           H        GLN  42   3.519   6.094   0.418
  335    HA   GLN  42           HA       GLN  42   4.373   8.733   1.259
  336    HB2  GLN  42           HB2      GLN  42   5.747   6.687   1.705
  337    HB3  GLN  42           HB1      GLN  42   6.024   6.553  -0.024
  338    HG2  GLN  42           HG2      GLN  42   7.920   7.578   1.111
  339    HG3  GLN  42           HG1      GLN  42   7.171   8.696  -0.028
  340   HE21  GLN  42          1HE2      GLN  42   7.944  10.507   1.012
  341   HE22  GLN  42          2HE2      GLN  42   7.367  11.037   2.548
  342    H    GLY  43           H        GLY  43   3.198   7.331  -1.562
  343    HA2  GLY  43           HA2      GLY  43   4.544   9.194  -3.309
  344    HA3  GLY  43           HA1      GLY  43   3.320   8.013  -3.771
  345    H    ARG  44           H        ARG  44   3.652  10.942  -1.775
  346    HA   ARG  44           HA       ARG  44   2.240  12.649  -1.252
  347    HB2  ARG  44           HB2      ARG  44   1.503  12.193  -4.142
  348    HB3  ARG  44           HB1      ARG  44   1.079  13.635  -3.222
  349    HG2  ARG  44           HG2      ARG  44   3.292  14.333  -3.057
  350    HG3  ARG  44           HG1      ARG  44   3.919  12.739  -3.472
  351    HD2  ARG  44           HD2      ARG  44   4.233  14.177  -5.320
  352    HD3  ARG  44           HD1      ARG  44   2.997  12.987  -5.700
  353    HE   ARG  44           HE       ARG  44   2.322  15.772  -4.923
  354   HH11  ARG  44          HH11      ARG  44   1.853  13.017  -7.125
  355   HH12  ARG  44          HH12      ARG  44   0.735  13.814  -8.118
  356   HH21  ARG  44          HH21      ARG  44   0.843  16.887  -6.340
  357   HH22  ARG  44          HH22      ARG  44   0.147  16.079  -7.668
  358    H    GLY  45           H        GLY  45   1.291  10.168  -0.424
  359    HA2  GLY  45           HA2      GLY  45  -1.355   9.580  -1.198
  360    HA3  GLY  45           HA1      GLY  45  -0.560   9.030   0.269
  361    H    GLU  46           H        GLU  46  -0.109  11.329   1.600
  362    HA   GLU  46           HA       GLU  46  -2.847  12.309   2.036
  363    HB2  GLU  46           HB2      GLU  46  -2.146  12.891   4.303
  364    HB3  GLU  46           HB1      GLU  46  -1.844  11.192   3.976
  365    HG2  GLU  46           HG2      GLU  46   0.515  11.684   3.592
  366    HG3  GLU  46           HG1      GLU  46   0.211  13.389   3.920
  367    H    ASP  47           H        ASP  47   0.191  13.139   0.950
  368    HA   ASP  47           HA       ASP  47  -0.058  15.953   1.548
  369    HB2  ASP  47           HB2      ASP  47   2.107  14.431   0.078
  370    HB3  ASP  47           HB1      ASP  47   2.104  16.175   0.261
  371    H    VAL  48           H        VAL  48  -1.688  16.707   0.437
  372    HA   VAL  48           HA       VAL  48  -1.832  16.136  -2.372
  373    HB   VAL  48           HB       VAL  48  -3.940  17.591  -2.375
  374   HG11  VAL  48          HG11      VAL  48  -4.039  15.167  -2.326
  375   HG12  VAL  48          HG12      VAL  48  -5.304  15.846  -1.300
  376   HG13  VAL  48          3HG1      VAL  48  -3.842  15.176  -0.575
  377   HG21  VAL  48          HG21      VAL  48  -3.571  17.378   0.618
  378   HG22  VAL  48          HG22      VAL  48  -5.006  17.999  -0.204
  379   HG23  VAL  48          HG23      VAL  48  -3.469  18.859  -0.332
  380    H    ASP  49           H        ASP  49   0.113  16.958  -2.821
  381    HA   ASP  49           HA       ASP  49   0.032  19.705  -3.708
  382    HB2  ASP  49           HB2      ASP  49   1.137  19.846  -1.501
  383    HB3  ASP  49           HB1      ASP  49   2.263  18.582  -1.982
  Start of MODEL   18
    1    H    PCA   1           H        PGL   1  -8.896   8.922  -0.331
    2    HA   PCA   1           HA       PGL   1 -10.525  10.767  -1.132
    3    HB2  PCA   1           HB1      PGL   1  -9.606  12.184  -2.649
    4    HB3  PCA   1           HB2      PGL   1  -9.362  10.826  -3.781
    5    HG2  PCA   1           HG1      PGL   1  -7.383  12.157  -2.111
    6    HG3  PCA   1           HG2      PGL   1  -7.142  10.837  -3.307
    7    H    ARG   2           H        ARG   2  -9.163   7.853  -2.282
    8    HA   ARG   2           HA       ARG   2 -11.498   7.332  -3.990
    9    HB2  ARG   2           HB2      ARG   2  -8.909   5.788  -3.742
   10    HB3  ARG   2           HB1      ARG   2 -10.231   5.376  -4.819
   11    HG2  ARG   2           HG2      ARG   2  -8.571   7.885  -4.933
   12    HG3  ARG   2           HG1      ARG   2  -8.432   6.497  -6.014
   13    HD2  ARG   2           HD2      ARG   2 -10.736   6.883  -6.780
   14    HD3  ARG   2           HD1      ARG   2 -10.849   8.268  -5.692
   15    HE   ARG   2           HE       ARG   2  -8.709   8.314  -7.639
   16   HH11  ARG   2          HH11      ARG   2 -11.988   9.397  -6.816
   17   HH12  ARG   2          HH12      ARG   2 -11.965  10.728  -7.872
   18   HH21  ARG   2          HH21      ARG   2  -8.698  10.108  -9.137
   19   HH22  ARG   2          HH22      ARG   2 -10.032  11.158  -9.204
   20    H    GLY   3           H        GLY   3 -10.500   6.805  -0.854
   21    HA2  GLY   3           HA2      GLY   3 -12.376   5.623   0.328
   22    HA3  GLY   3           HA1      GLY   3 -11.875   4.261  -0.682
   23    H    SER   4           H        SER   4 -11.324   3.121   1.145
   24    HA   SER   4           HA       SER   4  -9.161   4.149   2.806
   25    HB2  SER   4           HB2      SER   4 -10.840   1.659   3.072
   26    HB3  SER   4           HB1      SER   4  -9.690   2.263   4.264
   27    HG   SER   4           HG       SER   4 -12.243   2.953   3.826
   28    HA   PRO   5           HA       PRO   5  -6.366   1.681   0.166
   29    HB2  PRO   5           HB2      PRO   5  -4.360   2.567   2.155
   30    HB3  PRO   5           HB1      PRO   5  -4.359   2.756   0.400
   31    HG2  PRO   5           HG2      PRO   5  -4.800   4.842   2.021
   32    HG3  PRO   5           HG1      PRO   5  -5.632   4.678   0.465
   33    HD2  PRO   5           HD2      PRO   5  -6.659   4.149   3.226
   34    HD3  PRO   5           HD1      PRO   5  -7.478   4.889   1.832
   35    H    ARG   6           H        ARG   6  -6.560   1.675   3.647
   36    HA   ARG   6           HA       ARG   6  -5.287  -0.811   4.050
   37    HB2  ARG   6           HB2      ARG   6  -6.384  -0.784   6.308
   38    HB3  ARG   6           HB1      ARG   6  -5.421   0.628   5.935
   39    HG2  ARG   6           HG2      ARG   6  -7.578   1.788   5.316
   40    HG3  ARG   6           HG1      ARG   6  -8.414   0.397   6.011
   41    HD2  ARG   6           HD2      ARG   6  -8.197   2.194   7.655
   42    HD3  ARG   6           HD1      ARG   6  -7.267   0.775   8.145
   43    HE   ARG   6           HE       ARG   6  -5.825   2.771   6.636
   44   HH11  ARG   6          HH11      ARG   6  -6.692   1.729   9.904
   45   HH12  ARG   6          HH12      ARG   6  -5.277   2.310  10.625
   46   HH21  ARG   6          HH21      ARG   6  -3.861   3.610   7.658
   47   HH22  ARG   6          HH22      ARG   6  -3.658   3.404   9.330
   48    H    ALA   7           H        ALA   7  -8.464  -0.020   3.001
   49    HA   ALA   7           HA       ALA   7  -9.572  -2.594   3.567
   50    HB1  ALA   7           HB1      ALA   7 -11.044  -0.639   3.250
   51    HB2  ALA   7           HB2      ALA   7 -11.406  -1.905   2.078
   52    HB3  ALA   7           HB3      ALA   7 -10.475  -0.490   1.588
   53    H    GLU   8           H        GLU   8  -8.122  -0.966   0.822
   54    HA   GLU   8           HA       GLU   8  -8.234  -2.963  -1.133
   55    HB2  GLU   8           HB2      GLU   8  -5.952  -1.050  -0.591
   56    HB3  GLU   8           HB1      GLU   8  -6.256  -1.888  -2.102
   57    HG2  GLU   8           HG2      GLU   8  -8.053   0.175  -0.857
   58    HG3  GLU   8           HG1      GLU   8  -6.917   0.470  -2.169
   59    H    TYR   9           H        TYR   9  -6.052  -2.422   1.500
   60    HA   TYR   9           HA       TYR   9  -4.144  -4.415   0.965
   61    HB2  TYR   9           HB2      TYR   9  -3.751  -2.532   2.469
   62    HB3  TYR   9           HB1      TYR   9  -4.973  -3.144   3.568
   63    HD1  TYR   9           HD1      TYR   9  -1.806  -4.196   1.940
   64    HD2  TYR   9           HD2      TYR   9  -4.305  -4.401   5.352
   65    HE1  TYR   9           HE1      TYR   9  -0.085  -5.461   3.085
   66    HE2  TYR   9           HE2      TYR   9  -2.615  -5.669   6.551
   67    HH   TYR   9           HH       TYR   9   0.630  -5.971   5.426
   68    H    GLU  10           H        GLU  10  -6.824  -4.406   3.320
   69    HA   GLU  10           HA       GLU  10  -6.438  -7.078   4.088
   70    HB2  GLU  10           HB2      GLU  10  -8.739  -5.193   4.481
   71    HB3  GLU  10           HB1      GLU  10  -8.703  -6.831   5.149
   72    HG2  GLU  10           HG2      GLU  10  -6.614  -4.750   5.693
   73    HG3  GLU  10           HG1      GLU  10  -8.015  -5.028   6.723
   74    H    VAL  11           H        VAL  11  -8.599  -5.666   1.686
   75    HA   VAL  11           HA       VAL  11 -10.067  -8.006   1.127
   76    HB   VAL  11           HB       VAL  11  -9.420  -5.645  -0.688
   77   HG11  VAL  11          HG11      VAL  11 -11.428  -7.857  -1.140
   78   HG12  VAL  11          HG12      VAL  11  -9.937  -7.627  -2.051
   79   HG13  VAL  11          3HG1      VAL  11 -11.224  -6.425  -2.149
   80   HG21  VAL  11          HG21      VAL  11 -10.790  -5.102   1.251
   81   HG22  VAL  11          HG22      VAL  11 -11.920  -6.388   0.829
   82   HG23  VAL  11          HG23      VAL  11 -11.736  -4.993  -0.233
   83    H    CYS  12           H        CYS  12  -7.101  -6.748  -0.270
   84    HA   CYS  12           HA       CYS  12  -6.535  -8.649  -2.196
   85    HB2  CYS  12           HB2      CYS  12  -5.226  -6.644  -1.971
   86    HB3  CYS  12           HB1      CYS  12  -4.720  -7.101  -0.354
   87    H    ARG  13           H        ARG  13  -5.790  -8.680   1.248
   88    HA   ARG  13           HA       ARG  13  -4.397 -11.160   1.207
   89    HB2  ARG  13           HB2      ARG  13  -5.699  -9.749   3.554
   90    HB3  ARG  13           HB1      ARG  13  -4.461 -10.998   3.659
   91    HG2  ARG  13           HG2      ARG  13  -2.836  -9.512   2.620
   92    HG3  ARG  13           HG1      ARG  13  -4.081  -8.307   2.366
   93    HD2  ARG  13           HD2      ARG  13  -2.843  -7.593   4.250
   94    HD3  ARG  13           HD1      ARG  13  -4.377  -8.190   4.854
   95    HE   ARG  13           HE       ARG  13  -2.149 -10.067   4.915
   96   HH11  ARG  13          HH11      ARG  13  -4.135  -7.797   6.783
   97   HH12  ARG  13          HH12      ARG  13  -3.469  -8.267   8.281
   98   HH21  ARG  13          HH21      ARG  13  -1.260 -10.636   6.881
   99   HH22  ARG  13          HH22      ARG  13  -1.771  -9.963   8.372
  100    H    LEU  14           H        LEU  14  -7.716 -10.183   1.842
  101    HA   LEU  14           HA       LEU  14  -8.737 -12.614   2.799
  102    HB2  LEU  14           HB2      LEU  14  -9.996 -10.509   2.930
  103    HB3  LEU  14           HB1      LEU  14 -10.126 -10.474   1.186
  104    HG   LEU  14           HG       LEU  14 -11.491 -12.533   1.264
  105   HD11  LEU  14          HD11      LEU  14 -12.421 -13.268   3.407
  106   HD12  LEU  14          HD12      LEU  14 -11.323 -12.164   4.241
  107   HD13  LEU  14          HD13      LEU  14 -10.678 -13.511   3.304
  108   HD21  LEU  14          HD21      LEU  14 -13.504 -11.485   2.166
  109   HD22  LEU  14          HD22      LEU  14 -12.568 -10.354   1.187
  110   HD23  LEU  14          HD23      LEU  14 -12.514 -10.256   2.948
  111    H    ARG  15           H        ARG  15  -8.557 -11.307  -0.462
  112    HA   ARG  15           HA       ARG  15  -9.808 -13.303  -1.934
  113    HB2  ARG  15           HB2      ARG  15  -7.361 -11.709  -2.666
  114    HB3  ARG  15           HB1      ARG  15  -8.276 -12.690  -3.793
  115    HG2  ARG  15           HG2      ARG  15 -10.209 -11.261  -3.486
  116    HG3  ARG  15           HG1      ARG  15  -9.320 -10.301  -2.296
  117    HD2  ARG  15           HD2      ARG  15  -7.672  -9.709  -3.979
  118    HD3  ARG  15           HD1      ARG  15  -8.513 -10.703  -5.164
  119    HE   ARG  15           HE       ARG  15 -10.388  -8.966  -4.283
  120   HH11  ARG  15          HH11      ARG  15  -7.150  -8.547  -5.673
  121   HH12  ARG  15          HH12      ARG  15  -7.540  -7.107  -6.479
  122   HH21  ARG  15          HH21      ARG  15 -10.910  -6.994  -5.364
  123   HH22  ARG  15          HH22      ARG  15  -9.751  -6.166  -6.283
  124    H    CYS  16           H        CYS  16  -6.402 -13.051  -1.081
  125    HA   CYS  16           HA       CYS  16  -5.790 -15.503  -2.292
  126    HB2  CYS  16           HB2      CYS  16  -4.199 -13.764  -0.441
  127    HB3  CYS  16           HB1      CYS  16  -3.550 -15.163  -1.300
  128    H    GLN  17           H        GLN  17  -6.679 -14.685   1.001
  129    HA   GLN  17           HA       GLN  17  -5.879 -17.190   2.065
  130    HB2  GLN  17           HB2      GLN  17  -7.953 -15.226   3.048
  131    HB3  GLN  17           HB1      GLN  17  -7.437 -16.642   3.949
  132    HG2  GLN  17           HG2      GLN  17  -5.147 -15.755   3.990
  133    HG3  GLN  17           HG1      GLN  17  -5.706 -14.327   3.128
  134   HE21  GLN  17          1HE2      GLN  17  -7.011 -12.847   4.203
  135   HE22  GLN  17          2HE2      GLN  17  -7.107 -12.793   5.922
  136    H    VAL  18           H        VAL  18  -8.701 -16.088   0.402
  137    HA   VAL  18           HA       VAL  18 -10.221 -18.473   1.001
  138    HB   VAL  18           HB       VAL  18 -10.847 -16.107  -0.790
  139   HG11  VAL  18          HG11      VAL  18 -12.655 -18.360   0.065
  140   HG12  VAL  18          HG12      VAL  18 -12.040 -18.095  -1.566
  141   HG13  VAL  18          3HG1      VAL  18 -13.148 -16.930  -0.840
  142   HG21  VAL  18          HG21      VAL  18 -11.869 -16.851   1.949
  143   HG22  VAL  18          HG22      VAL  18 -12.416 -15.480   0.982
  144   HG23  VAL  18          HG23      VAL  18 -10.755 -15.537   1.570
  145    H    ALA  19           H        ALA  19  -8.720 -17.028  -1.878
  146    HA   ALA  19           HA       ALA  19  -9.548 -19.279  -3.494
  147    HB1  ALA  19           HB1      ALA  19  -8.656 -18.054  -5.368
  148    HB2  ALA  19           HB2      ALA  19  -7.919 -16.880  -4.276
  149    HB3  ALA  19           HB3      ALA  19  -9.675 -17.007  -4.378
  150    H    GLU  20           H        GLU  20  -6.492 -18.014  -2.247
  151    HA   GLU  20           HA       GLU  20  -5.042 -19.995  -3.763
  152    HB2  GLU  20           HB2      GLU  20  -4.037 -17.821  -1.922
  153    HB3  GLU  20           HB1      GLU  20  -3.023 -18.851  -2.918
  154    HG2  GLU  20           HG2      GLU  20  -5.051 -16.853  -3.906
  155    HG3  GLU  20           HG1      GLU  20  -3.301 -16.665  -3.933
  156    H    ARG  21           H        ARG  21  -4.570 -21.871  -2.981
  157    HA   ARG  21           HA       ARG  21  -5.176 -22.432  -0.213
  158    HB2  ARG  21           HB2      ARG  21  -4.901 -24.837  -0.845
  159    HB3  ARG  21           HB1      ARG  21  -6.135 -23.988  -1.750
  160    HG2  ARG  21           HG2      ARG  21  -5.038 -25.370  -3.311
  161    HG3  ARG  21           HG1      ARG  21  -4.415 -23.755  -3.610
  162    HD2  ARG  21           HD2      ARG  21  -2.629 -25.396  -3.701
  163    HD3  ARG  21           HD1      ARG  21  -2.403 -24.316  -2.325
  164    HE   ARG  21           HE       ARG  21  -3.802 -26.477  -1.364
  165   HH11  ARG  21          HH11      ARG  21  -0.626 -25.979  -2.861
  166   HH12  ARG  21          HH12      ARG  21   0.075 -27.338  -2.113
  167   HH21  ARG  21          HH21      ARG  21  -2.833 -28.264  -0.326
  168   HH22  ARG  21          HH22      ARG  21  -1.196 -28.665  -0.604
  169    H    GLY  22           H        GLY  22  -2.600 -21.310  -1.552
  170    HA2  GLY  22           HA2      GLY  22  -0.767 -22.896   0.112
  171    HA3  GLY  22           HA1      GLY  22  -0.294 -21.968  -1.310
  172    H    VAL  23           H        VAL  23   0.381 -21.961   1.674
  173    HA   VAL  23           HA       VAL  23  -0.482 -19.476   2.680
  174    HB   VAL  23           HB       VAL  23   0.241 -21.284   4.176
  175   HG11  VAL  23          HG11      VAL  23   2.050 -22.242   2.884
  176   HG12  VAL  23          HG12      VAL  23   2.602 -21.833   4.508
  177   HG13  VAL  23          3HG1      VAL  23   3.025 -20.797   3.145
  178   HG21  VAL  23          HG21      VAL  23   1.959 -18.825   4.451
  179   HG22  VAL  23          HG22      VAL  23   1.604 -19.975   5.740
  180   HG23  VAL  23          HG23      VAL  23   0.306 -19.011   5.033
  181    H    GLU  24           H        GLU  24   2.288 -20.415   0.768
  182    HA   GLU  24           HA       GLU  24   3.682 -17.988   1.194
  183    HB2  GLU  24           HB2      GLU  24   4.054 -20.079  -0.957
  184    HB3  GLU  24           HB1      GLU  24   5.105 -18.694  -0.709
  185    HG2  GLU  24           HG2      GLU  24   4.585 -20.880   1.282
  186    HG3  GLU  24           HG1      GLU  24   6.049 -20.667   0.314
  187    H    GLN  25           H        GLN  25   1.463 -19.144  -1.224
  188    HA   GLN  25           HA       GLN  25   1.594 -16.944  -2.958
  189    HB2  GLN  25           HB2      GLN  25  -0.764 -18.708  -2.268
  190    HB3  GLN  25           HB1      GLN  25  -0.756 -17.561  -3.597
  191    HG2  GLN  25           HG2      GLN  25   1.047 -19.960  -3.303
  192    HG3  GLN  25           HG1      GLN  25  -0.331 -19.814  -4.390
  193   HE21  GLN  25          1HE2      GLN  25   2.481 -20.326  -4.954
  194   HE22  GLN  25          2HE2      GLN  25   2.983 -19.071  -6.026
  195    H    GLN  26           H        GLN  26  -0.385 -17.544  -0.123
  196    HA   GLN  26           HA       GLN  26  -1.776 -15.098  -0.039
  197    HB2  GLN  26           HB2      GLN  26  -0.982 -17.019   2.158
  198    HB3  GLN  26           HB1      GLN  26  -2.051 -15.648   2.411
  199    HG2  GLN  26           HG2      GLN  26  -3.668 -16.570   0.874
  200    HG3  GLN  26           HG1      GLN  26  -2.574 -17.886   0.469
  201   HE21  GLN  26          1HE2      GLN  26  -4.199 -19.361   1.069
  202   HE22  GLN  26          2HE2      GLN  26  -4.557 -19.705   2.713
  203    H    ARG  27           H        ARG  27   1.347 -15.985   1.428
  204    HA   ARG  27           HA       ARG  27   1.683 -13.454   2.656
  205    HB2  ARG  27           HB2      ARG  27   3.852 -15.401   1.860
  206    HB3  ARG  27           HB1      ARG  27   4.083 -14.000   2.889
  207    HG2  ARG  27           HG2      ARG  27   2.316 -15.063   4.397
  208    HG3  ARG  27           HG1      ARG  27   2.610 -16.541   3.474
  209    HD2  ARG  27           HD2      ARG  27   4.616 -14.953   5.080
  210    HD3  ARG  27           HD1      ARG  27   3.985 -16.546   5.453
  211    HE   ARG  27           HE       ARG  27   5.166 -17.381   3.491
  212   HH11  ARG  27          HH11      ARG  27   6.206 -14.200   4.719
  213   HH12  ARG  27          HH12      ARG  27   7.811 -14.368   4.176
  214   HH21  ARG  27          HH21      ARG  27   7.326 -17.565   2.744
  215   HH22  ARG  27          HH22      ARG  27   8.480 -16.317   3.011
  216    H    LYS  28           H        LYS  28   2.565 -14.642  -0.511
  217    HA   LYS  28           HA       LYS  28   4.072 -12.370  -1.277
  218    HB2  LYS  28           HB2      LYS  28   2.568 -14.385  -2.948
  219    HB3  LYS  28           HB1      LYS  28   3.615 -13.141  -3.615
  220    HG2  LYS  28           HG2      LYS  28   4.494 -15.289  -1.697
  221    HG3  LYS  28           HG1      LYS  28   4.710 -15.348  -3.445
  222    HD2  LYS  28           HD2      LYS  28   6.149 -13.412  -3.381
  223    HD3  LYS  28           HD1      LYS  28   5.834 -13.174  -1.663
  224    HE2  LYS  28           HE2      LYS  28   7.998 -14.222  -2.027
  225    HE3  LYS  28           HE1      LYS  28   6.894 -15.291  -1.164
  226    HZ1  LYS  28           HZ1      LYS  28   6.465 -16.440  -3.255
  227    HZ2  LYS  28           HZ2      LYS  28   8.098 -16.487  -2.864
  228    HZ3  LYS  28           HZ3      LYS  28   7.556 -15.443  -4.054
  229    H    CYS  29           H        CYS  29   0.683 -13.197  -1.592
  230    HA   CYS  29           HA       CYS  29  -0.273 -10.939  -2.882
  231    HB2  CYS  29           HB2      CYS  29  -1.417 -12.682  -0.734
  232    HB3  CYS  29           HB1      CYS  29  -2.394 -11.449  -1.485
  233    H    GLU  30           H        GLU  30   0.248 -11.525   0.584
  234    HA   GLU  30           HA       GLU  30  -0.607  -9.035   1.521
  235    HB2  GLU  30           HB2      GLU  30   1.500 -10.857   2.710
  236    HB3  GLU  30           HB1      GLU  30   0.694  -9.545   3.553
  237    HG2  GLU  30           HG2      GLU  30  -1.455 -10.736   3.272
  238    HG3  GLU  30           HG1      GLU  30  -0.576 -12.064   2.516
  239    H    GLN  31           H        GLN  31   2.617 -10.169   0.669
  240    HA   GLN  31           HA       GLN  31   4.050  -7.870   1.266
  241    HB2  GLN  31           HB2      GLN  31   5.143  -9.973   0.763
  242    HB3  GLN  31           HB1      GLN  31   4.573  -9.898  -0.899
  243    HG2  GLN  31           HG2      GLN  31   5.895  -7.846  -1.233
  244    HG3  GLN  31           HG1      GLN  31   6.513  -8.004   0.408
  245   HE21  GLN  31          1HE2      GLN  31   8.602  -8.195  -0.288
  246   HE22  GLN  31          2HE2      GLN  31   9.192  -9.618  -1.070
  247    H    VAL  32           H        VAL  32   2.820  -8.811  -1.956
  248    HA   VAL  32           HA       VAL  32   3.690  -6.470  -3.231
  249    HB   VAL  32           HB       VAL  32   1.407  -8.301  -4.061
  250   HG11  VAL  32          HG11      VAL  32   1.313  -6.151  -5.216
  251   HG12  VAL  32          HG12      VAL  32   1.777  -7.444  -6.325
  252   HG13  VAL  32          3HG1      VAL  32   2.998  -6.329  -5.706
  253   HG21  VAL  32          HG21      VAL  32   4.321  -8.306  -4.831
  254   HG22  VAL  32          HG22      VAL  32   3.078  -9.340  -5.531
  255   HG23  VAL  32          HG23      VAL  32   3.501  -9.501  -3.824
  256    H    CYS  33           H        CYS  33   0.682  -7.181  -1.545
  257    HA   CYS  33           HA       CYS  33  -0.423  -4.696  -2.362
  258    HB2  CYS  33           HB2      CYS  33  -1.349  -6.838  -0.495
  259    HB3  CYS  33           HB1      CYS  33  -2.233  -5.320  -0.645
  260    H    GLU  34           H        GLU  34   1.498  -5.726   0.337
  261    HA   GLU  34           HA       GLU  34   0.883  -3.442   1.905
  262    HB2  GLU  34           HB2      GLU  34   1.840  -5.651   2.748
  263    HB3  GLU  34           HB1      GLU  34   3.356  -5.150   2.034
  264    HG2  GLU  34           HG2      GLU  34   3.608  -3.360   3.517
  265    HG3  GLU  34           HG1      GLU  34   1.933  -3.479   4.065
  266    H    GLU  35           H        GLU  35   3.197  -4.256  -0.568
  267    HA   GLU  35           HA       GLU  35   4.894  -2.063  -0.376
  268    HB2  GLU  35           HB2      GLU  35   3.998  -3.595  -2.813
  269    HB3  GLU  35           HB1      GLU  35   5.287  -2.401  -2.834
  270    HG2  GLU  35           HG2      GLU  35   5.281  -4.893  -1.144
  271    HG3  GLU  35           HG1      GLU  35   6.105  -4.725  -2.692
  272    H    ARG  36           H        ARG  36   1.739  -2.299  -1.984
  273    HA   ARG  36           HA       ARG  36   1.929   0.400  -2.942
  274    HB2  ARG  36           HB2      ARG  36  -0.401   0.227  -3.671
  275    HB3  ARG  36           HB1      ARG  36   0.494  -1.192  -4.175
  276    HG2  ARG  36           HG2      ARG  36  -0.541  -2.468  -2.369
  277    HG3  ARG  36           HG1      ARG  36  -1.392  -1.020  -1.836
  278    HD2  ARG  36           HD2      ARG  36  -2.551  -0.909  -3.997
  279    HD3  ARG  36           HD1      ARG  36  -1.705  -2.363  -4.520
  280    HE   ARG  36           HE       ARG  36  -2.998  -2.952  -2.136
  281   HH11  ARG  36          HH11      ARG  36  -3.932  -2.040  -5.402
  282   HH12  ARG  36          HH12      ARG  36  -5.373  -2.936  -5.430
  283   HH21  ARG  36          HH21      ARG  36  -5.065  -4.262  -2.165
  284   HH22  ARG  36          HH22      ARG  36  -5.987  -4.213  -3.566
  285    H    LEU  37           H        LEU  37   0.776  -1.094  -0.045
  286    HA   LEU  37           HA       LEU  37  -0.583   1.187   0.955
  287    HB2  LEU  37           HB2      LEU  37   0.335  -1.406   2.049
  288    HB3  LEU  37           HB1      LEU  37   0.052  -0.121   3.202
  289    HG   LEU  37           HG       LEU  37  -1.853  -1.708   2.849
  290   HD11  LEU  37          HD11      LEU  37  -2.145   0.469   3.852
  291   HD12  LEU  37          HD12      LEU  37  -3.539   0.063   2.846
  292   HD13  LEU  37          HD13      LEU  37  -2.327   1.207   2.259
  293   HD21  LEU  37          HD21      LEU  37  -2.064  -0.277   0.190
  294   HD22  LEU  37          HD22      LEU  37  -3.307  -1.315   0.871
  295   HD23  LEU  37          HD23      LEU  37  -1.739  -1.992   0.428
  296    H    ARG  38           H        ARG  38   2.675  -0.016   1.243
  297    HA   ARG  38           HA       ARG  38   3.701   1.864   2.998
  298    HB2  ARG  38           HB2      ARG  38   5.040   0.441   0.711
  299    HB3  ARG  38           HB1      ARG  38   5.910   1.424   1.882
  300    HG2  ARG  38           HG2      ARG  38   5.191  -0.037   3.682
  301    HG3  ARG  38           HG1      ARG  38   4.247  -0.997   2.541
  302    HD2  ARG  38           HD2      ARG  38   6.356  -2.072   3.033
  303    HD3  ARG  38           HD1      ARG  38   6.282  -1.564   1.343
  304    HE   ARG  38           HE       ARG  38   7.560   0.237   3.228
  305   HH11  ARG  38          HH11      ARG  38   8.033  -2.274   0.721
  306   HH12  ARG  38          HH12      ARG  38   9.618  -1.792   0.387
  307   HH21  ARG  38          HH21      ARG  38   9.753   0.855   2.748
  308   HH22  ARG  38          HH22      ARG  38  10.629   0.008   1.556
  309    H    GLU  39           H        GLU  39   3.155   2.072  -0.462
  310    HA   GLU  39           HA       GLU  39   4.361   4.544  -0.986
  311    HB2  GLU  39           HB2      GLU  39   1.883   3.303  -2.186
  312    HB3  GLU  39           HB1      GLU  39   2.621   4.774  -2.796
  313    HG2  GLU  39           HG2      GLU  39   3.914   2.061  -2.681
  314    HG3  GLU  39           HG1      GLU  39   3.241   2.832  -4.118
  315    H    ARG  40           H        ARG  40   1.222   3.748   0.347
  316    HA   ARG  40           HA       ARG  40   0.170   6.385   0.193
  317    HB2  ARG  40           HB2      ARG  40  -0.724   4.080   1.923
  318    HB3  ARG  40           HB1      ARG  40  -1.632   5.558   1.645
  319    HG2  ARG  40           HG2      ARG  40  -0.917   3.486  -0.426
  320    HG3  ARG  40           HG1      ARG  40  -2.499   3.724   0.312
  321    HD2  ARG  40           HD2      ARG  40  -1.025   5.695  -1.444
  322    HD3  ARG  40           HD1      ARG  40  -2.409   4.719  -1.914
  323    HE   ARG  40           HE       ARG  40  -3.139   6.223   0.323
  324   HH11  ARG  40          HH11      ARG  40  -2.336   6.757  -3.076
  325   HH12  ARG  40          HH12      ARG  40  -3.274   8.169  -3.204
  326   HH21  ARG  40          HH21      ARG  40  -4.390   8.183   0.140
  327   HH22  ARG  40          HH22      ARG  40  -4.424   9.019  -1.339
  328    H    GLU  41           H        GLU  41   1.945   4.647   2.664
  329    HA   GLU  41           HA       GLU  41   1.576   6.871   4.492
  330    HB2  GLU  41           HB2      GLU  41   2.925   5.482   6.088
  331    HB3  GLU  41           HB1      GLU  41   1.407   4.779   5.562
  332    HG2  GLU  41           HG2      GLU  41   2.686   3.458   3.897
  333    HG3  GLU  41           HG1      GLU  41   4.170   4.061   4.638
  334    H    GLN  42           H        GLN  42   3.924   5.880   2.224
  335    HA   GLN  42           HA       GLN  42   5.912   7.626   3.382
  336    HB2  GLN  42           HB2      GLN  42   5.893   6.033   0.828
  337    HB3  GLN  42           HB1      GLN  42   7.235   7.073   1.303
  338    HG2  GLN  42           HG2      GLN  42   7.538   5.779   3.341
  339    HG3  GLN  42           HG1      GLN  42   6.177   4.757   2.902
  340   HE21  GLN  42          1HE2      GLN  42   6.921   4.677   0.091
  341   HE22  GLN  42          2HE2      GLN  42   8.285   3.632   0.009
  342    H    GLY  43           H        GLY  43   3.424   7.700   1.133
  343    HA2  GLY  43           HA2      GLY  43   3.995  10.517   0.564
  344    HA3  GLY  43           HA1      GLY  43   2.909   9.484  -0.380
  345    H    ARG  44           H        ARG  44   3.372  10.165   3.027
  346    HA   ARG  44           HA       ARG  44   0.614   9.806   3.645
  347    HB2  ARG  44           HB2      ARG  44   1.241  10.650   5.939
  348    HB3  ARG  44           HB1      ARG  44   2.163   9.264   5.379
  349    HG2  ARG  44           HG2      ARG  44   4.033  10.711   4.821
  350    HG3  ARG  44           HG1      ARG  44   3.105  12.125   5.315
  351    HD2  ARG  44           HD2      ARG  44   3.846   9.828   7.122
  352    HD3  ARG  44           HD1      ARG  44   4.746  11.335   7.020
  353    HE   ARG  44           HE       ARG  44   2.084  10.935   8.161
  354   HH11  ARG  44          HH11      ARG  44   4.752  13.163   7.453
  355   HH12  ARG  44          HH12      ARG  44   4.268  14.317   8.606
  356   HH21  ARG  44          HH21      ARG  44   1.472  12.527   9.769
  357   HH22  ARG  44          HH22      ARG  44   2.385  13.956   9.956
  358    H    GLY  45           H        GLY  45   2.568  12.562   2.918
  359    HA2  GLY  45           HA2      GLY  45   0.198  14.256   3.239
  360    HA3  GLY  45           HA1      GLY  45   1.858  14.847   3.291
  361    H    GLU  46           H        GLU  46  -0.001  15.899   1.551
  362    HA   GLU  46           HA       GLU  46   1.233  15.077  -0.940
  363    HB2  GLU  46           HB2      GLU  46  -0.939  13.975  -0.898
  364    HB3  GLU  46           HB1      GLU  46  -1.730  15.517  -0.606
  365    HG2  GLU  46           HG2      GLU  46  -0.882  16.323  -2.781
  366    HG3  GLU  46           HG1      GLU  46  -0.200  14.724  -3.072
  367    H    ASP  47           H        ASP  47   2.460  16.814  -0.887
  368    HA   ASP  47           HA       ASP  47   1.122  19.418  -1.242
  369    HB2  ASP  47           HB2      ASP  47   2.912  19.339   0.498
  370    HB3  ASP  47           HB1      ASP  47   4.053  18.813  -0.732
  371    H    VAL  48           H        VAL  48   3.099  16.970  -2.575
  372    HA   VAL  48           HA       VAL  48   3.374  18.324  -5.149
  373    HB   VAL  48           HB       VAL  48   4.626  15.747  -4.139
  374   HG11  VAL  48          HG11      VAL  48   5.252  17.384  -6.586
  375   HG12  VAL  48          HG12      VAL  48   4.463  15.808  -6.554
  376   HG13  VAL  48          3HG1      VAL  48   6.147  15.962  -6.049
  377   HG21  VAL  48          HG21      VAL  48   5.860  18.484  -4.343
  378   HG22  VAL  48          HG22      VAL  48   6.719  17.003  -3.912
  379   HG23  VAL  48          HG23      VAL  48   5.458  17.637  -2.849
  380    H    ASP  49           H        ASP  49   2.249  17.480  -6.875
  381    HA   ASP  49           HA       ASP  49   0.480  15.217  -6.332
  382    HB2  ASP  49           HB2      ASP  49   0.403  17.314  -8.523
  383    HB3  ASP  49           HB1      ASP  49  -0.677  15.931  -8.454
  Start of MODEL   19
    1    H    PCA   1           H        PGL   1 -14.010   0.280  -8.206
    2    HA   PCA   1           HA       PGL   1 -12.426  -1.225  -9.434
    3    HB2  PCA   1           HB1      PGL   1 -12.193  -0.579 -11.615
    4    HB3  PCA   1           HB2      PGL   1 -11.149   0.761 -11.062
    5    HG2  PCA   1           HG1      PGL   1 -13.953   0.857 -11.951
    6    HG3  PCA   1           HG2      PGL   1 -12.815   2.210 -11.619
    7    H    ARG   2           H        ARG   2 -12.369   1.201  -7.430
    8    HA   ARG   2           HA       ARG   2  -9.692   0.720  -6.556
    9    HB2  ARG   2           HB2      ARG   2  -9.490   2.585  -8.255
   10    HB3  ARG   2           HB1      ARG   2 -10.529   3.545  -7.214
   11    HG2  ARG   2           HG2      ARG   2  -8.855   3.376  -5.421
   12    HG3  ARG   2           HG1      ARG   2  -7.803   2.475  -6.518
   13    HD2  ARG   2           HD2      ARG   2  -7.924   4.417  -8.087
   14    HD3  ARG   2           HD1      ARG   2  -8.774   5.310  -6.836
   15    HE   ARG   2           HE       ARG   2  -6.086   4.208  -6.437
   16   HH11  ARG   2          HH11      ARG   2  -8.354   6.937  -6.133
   17   HH12  ARG   2          HH12      ARG   2  -7.177   8.033  -5.593
   18   HH21  ARG   2          HH21      ARG   2  -4.445   5.770  -5.686
   19   HH22  ARG   2          HH22      ARG   2  -4.941   7.361  -5.340
   20    H    GLY   3           H        GLY   3  -9.967   0.513  -4.403
   21    HA2  GLY   3           HA2      GLY   3 -12.152   2.022  -3.166
   22    HA3  GLY   3           HA1      GLY   3 -11.640   0.415  -2.653
   23    H    SER   4           H        SER   4 -11.569   1.644  -0.632
   24    HA   SER   4           HA       SER   4  -9.552   3.540  -0.103
   25    HB2  SER   4           HB2      SER   4 -10.922   1.614   1.807
   26    HB3  SER   4           HB1      SER   4 -10.164   3.155   2.221
   27    HG   SER   4           HG       SER   4 -11.853   3.695   0.327
   28    HA   PRO   5           HA       PRO   5  -6.101   0.891  -0.741
   29    HB2  PRO   5           HB2      PRO   5  -4.312   2.135   0.999
   30    HB3  PRO   5           HB1      PRO   5  -4.612   2.593  -0.679
   31    HG2  PRO   5           HG2      PRO   5  -5.740   3.742   1.835
   32    HG3  PRO   5           HG1      PRO   5  -5.236   4.568   0.351
   33    HD2  PRO   5           HD2      PRO   5  -7.812   4.166   0.897
   34    HD3  PRO   5           HD1      PRO   5  -7.205   4.016  -0.766
   35    H    ARG   6           H        ARG   6  -6.704   1.625   2.671
   36    HA   ARG   6           HA       ARG   6  -5.178  -0.670   3.563
   37    HB2  ARG   6           HB2      ARG   6  -7.058   1.016   5.223
   38    HB3  ARG   6           HB1      ARG   6  -5.731   0.018   5.795
   39    HG2  ARG   6           HG2      ARG   6  -4.130   1.501   4.671
   40    HG3  ARG   6           HG1      ARG   6  -5.460   2.519   4.130
   41    HD2  ARG   6           HD2      ARG   6  -4.595   3.576   6.037
   42    HD3  ARG   6           HD1      ARG   6  -6.061   2.768   6.581
   43    HE   ARG   6           HE       ARG   6  -3.343   1.740   6.956
   44   HH11  ARG   6          HH11      ARG   6  -6.692   2.122   8.147
   45   HH12  ARG   6          HH12      ARG   6  -6.361   1.469   9.677
   46   HH21  ARG   6          HH21      ARG   6  -2.936   0.831   9.090
   47   HH22  ARG   6          HH22      ARG   6  -4.193   0.754  10.247
   48    H    ALA   7           H        ALA   7  -8.462   0.016   2.820
   49    HA   ALA   7           HA       ALA   7  -9.545  -2.335   4.051
   50    HB1  ALA   7           HB1      ALA   7 -10.645  -0.617   1.817
   51    HB2  ALA   7           HB2      ALA   7 -10.973  -0.399   3.538
   52    HB3  ALA   7           HB3      ALA   7 -11.545  -1.847   2.706
   53    H    GLU   8           H        GLU   8  -8.591  -1.345   0.830
   54    HA   GLU   8           HA       GLU   8  -8.980  -3.772  -0.477
   55    HB2  GLU   8           HB2      GLU   8  -7.215  -1.422  -1.007
   56    HB3  GLU   8           HB1      GLU   8  -7.214  -2.827  -2.065
   57    HG2  GLU   8           HG2      GLU   8  -9.648  -1.226  -1.356
   58    HG3  GLU   8           HG1      GLU   8  -8.698  -1.001  -2.824
   59    H    TYR   9           H        TYR   9  -6.341  -2.626   1.465
   60    HA   TYR   9           HA       TYR   9  -4.447  -4.609   0.924
   61    HB2  TYR   9           HB2      TYR   9  -3.910  -2.660   2.288
   62    HB3  TYR   9           HB1      TYR   9  -5.062  -3.163   3.514
   63    HD1  TYR   9           HD1      TYR   9  -4.443  -4.674   5.211
   64    HD2  TYR   9           HD2      TYR   9  -1.855  -4.047   1.913
   65    HE1  TYR   9           HE1      TYR   9  -2.719  -5.943   6.363
   66    HE2  TYR   9           HE2      TYR   9  -0.090  -5.310   3.040
   67    HH   TYR   9           HH       TYR   9   0.583  -5.969   5.347
   68    H    GLU  10           H        GLU  10  -6.952  -4.494   3.417
   69    HA   GLU  10           HA       GLU  10  -6.561  -7.104   4.368
   70    HB2  GLU  10           HB2      GLU  10  -8.866  -5.197   4.527
   71    HB3  GLU  10           HB1      GLU  10  -8.894  -6.795   5.286
   72    HG2  GLU  10           HG2      GLU  10  -6.824  -4.694   5.841
   73    HG3  GLU  10           HG1      GLU  10  -8.288  -4.924   6.800
   74    H    VAL  11           H        VAL  11  -8.797  -5.819   1.945
   75    HA   VAL  11           HA       VAL  11 -10.079  -8.279   1.446
   76    HB   VAL  11           HB       VAL  11  -9.783  -5.963  -0.509
   77   HG11  VAL  11          HG11      VAL  11 -10.506  -8.021  -1.600
   78   HG12  VAL  11          HG12      VAL  11 -11.826  -6.852  -1.535
   79   HG13  VAL  11          3HG1      VAL  11 -11.795  -8.211  -0.411
   80   HG21  VAL  11          HG21      VAL  11 -11.991  -5.252   0.287
   81   HG22  VAL  11          HG22      VAL  11 -10.797  -5.233   1.585
   82   HG23  VAL  11          HG23      VAL  11 -11.971  -6.545   1.485
   83    H    CYS  12           H        CYS  12  -7.165  -6.840   0.070
   84    HA   CYS  12           HA       CYS  12  -6.581  -8.618  -1.991
   85    HB2  CYS  12           HB2      CYS  12  -5.216  -6.645  -1.644
   86    HB3  CYS  12           HB1      CYS  12  -4.748  -7.190  -0.042
   87    H    ARG  13           H        ARG  13  -5.921  -8.851   1.435
   88    HA   ARG  13           HA       ARG  13  -4.539 -11.309   1.440
   89    HB2  ARG  13           HB2      ARG  13  -6.222 -10.017   3.583
   90    HB3  ARG  13           HB1      ARG  13  -5.057 -11.303   3.868
   91    HG2  ARG  13           HG2      ARG  13  -3.271  -9.835   3.145
   92    HG3  ARG  13           HG1      ARG  13  -4.433  -8.558   2.808
   93    HD2  ARG  13           HD2      ARG  13  -3.424  -8.106   4.934
   94    HD3  ARG  13           HD1      ARG  13  -5.093  -8.596   5.201
   95    HE   ARG  13           HE       ARG  13  -3.226 -10.756   5.378
   96   HH11  ARG  13          HH11      ARG  13  -4.857  -8.150   7.194
   97   HH12  ARG  13          HH12      ARG  13  -4.471  -8.820   8.710
   98   HH21  ARG  13          HH21      ARG  13  -2.692 -11.616   7.534
   99   HH22  ARG  13          HH22      ARG  13  -3.234 -10.757   8.906
  100    H    LEU  14           H        LEU  14  -7.911 -10.453   1.975
  101    HA   LEU  14           HA       LEU  14  -8.989 -12.971   2.466
  102    HB2  LEU  14           HB2      LEU  14 -10.188 -10.902   2.896
  103    HB3  LEU  14           HB1      LEU  14 -10.225 -10.540   1.187
  104    HG   LEU  14           HG       LEU  14 -11.748 -12.426   0.808
  105   HD11  LEU  14          HD11      LEU  14 -11.662 -12.763   3.803
  106   HD12  LEU  14          HD12      LEU  14 -11.013 -13.893   2.611
  107   HD13  LEU  14          HD13      LEU  14 -12.748 -13.600   2.695
  108   HD21  LEU  14          HD21      LEU  14 -12.653 -10.210   1.263
  109   HD22  LEU  14          HD22      LEU  14 -12.636 -10.548   2.992
  110   HD23  LEU  14          HD23      LEU  14 -13.699 -11.464   1.927
  111    H    ARG  15           H        ARG  15  -8.624 -11.238  -0.592
  112    HA   ARG  15           HA       ARG  15  -9.830 -13.066  -2.332
  113    HB2  ARG  15           HB2      ARG  15  -7.483 -11.230  -2.814
  114    HB3  ARG  15           HB1      ARG  15  -8.315 -12.093  -4.091
  115    HG2  ARG  15           HG2      ARG  15 -10.359 -10.878  -3.609
  116    HG3  ARG  15           HG1      ARG  15  -9.574 -10.072  -2.250
  117    HD2  ARG  15           HD2      ARG  15  -7.930  -9.112  -3.834
  118    HD3  ARG  15           HD1      ARG  15  -8.839  -9.825  -5.165
  119    HE   ARG  15           HE       ARG  15 -10.743  -8.463  -4.384
  120   HH11  ARG  15          HH11      ARG  15  -7.419  -7.395  -3.817
  121   HH12  ARG  15          HH12      ARG  15  -7.816  -5.762  -3.588
  122   HH21  ARG  15          HH21      ARG  15 -11.297  -6.182  -4.061
  123   HH22  ARG  15          HH22      ARG  15 -10.084  -5.034  -3.719
  124    H    CYS  16           H        CYS  16  -6.490 -12.890  -1.207
  125    HA   CYS  16           HA       CYS  16  -5.743 -15.171  -2.677
  126    HB2  CYS  16           HB2      CYS  16  -4.370 -13.690  -0.471
  127    HB3  CYS  16           HB1      CYS  16  -3.668 -15.085  -1.290
  128    H    GLN  17           H        GLN  17  -6.931 -14.745   0.612
  129    HA   GLN  17           HA       GLN  17  -6.328 -17.396   1.394
  130    HB2  GLN  17           HB2      GLN  17  -8.537 -15.596   2.404
  131    HB3  GLN  17           HB1      GLN  17  -8.061 -17.112   3.151
  132    HG2  GLN  17           HG2      GLN  17  -5.789 -16.160   3.482
  133    HG3  GLN  17           HG1      GLN  17  -6.403 -14.622   2.886
  134   HE21  GLN  17          1HE2      GLN  17  -5.993 -13.588   4.812
  135   HE22  GLN  17          2HE2      GLN  17  -6.950 -13.865   6.224
  136    H    VAL  18           H        VAL  18  -8.940 -16.036  -0.423
  137    HA   VAL  18           HA       VAL  18 -10.492 -18.435  -0.444
  138    HB   VAL  18           HB       VAL  18 -10.570 -16.020  -2.283
  139   HG11  VAL  18          HG11      VAL  18 -11.489 -17.962  -3.428
  140   HG12  VAL  18          HG12      VAL  18 -12.777 -16.838  -2.998
  141   HG13  VAL  18          3HG1      VAL  18 -12.530 -18.305  -2.049
  142   HG21  VAL  18          HG21      VAL  18 -11.160 -15.505   0.024
  143   HG22  VAL  18          HG22      VAL  18 -12.337 -16.818   0.031
  144   HG23  VAL  18          HG23      VAL  18 -12.584 -15.418  -1.013
  145    H    ALA  19           H        ALA  19  -8.246 -16.925  -2.723
  146    HA   ALA  19           HA       ALA  19  -8.569 -18.949  -4.703
  147    HB1  ALA  19           HB1      ALA  19  -6.842 -17.794  -5.923
  148    HB2  ALA  19           HB2      ALA  19  -6.407 -16.879  -4.481
  149    HB3  ALA  19           HB3      ALA  19  -7.977 -16.626  -5.239
  150    H    GLU  20           H        GLU  20  -5.922 -18.221  -2.433
  151    HA   GLU  20           HA       GLU  20  -4.882 -20.925  -2.849
  152    HB2  GLU  20           HB2      GLU  20  -3.193 -18.413  -2.856
  153    HB3  GLU  20           HB1      GLU  20  -2.616 -20.062  -2.985
  154    HG2  GLU  20           HG2      GLU  20  -3.642 -20.281  -5.163
  155    HG3  GLU  20           HG1      GLU  20  -4.340 -18.671  -5.016
  156    H    ARG  21           H        ARG  21  -5.652 -21.393  -0.733
  157    HA   ARG  21           HA       ARG  21  -4.858 -19.568   1.334
  158    HB2  ARG  21           HB2      ARG  21  -6.143 -21.041   2.917
  159    HB3  ARG  21           HB1      ARG  21  -7.084 -20.308   1.633
  160    HG2  ARG  21           HG2      ARG  21  -7.038 -22.452   0.425
  161    HG3  ARG  21           HG1      ARG  21  -6.141 -23.167   1.769
  162    HD2  ARG  21           HD2      ARG  21  -8.902 -21.949   1.908
  163    HD3  ARG  21           HD1      ARG  21  -8.526 -23.671   1.949
  164    HE   ARG  21           HE       ARG  21  -7.153 -22.955   4.007
  165   HH11  ARG  21          HH11      ARG  21 -10.360 -21.698   3.131
  166   HH12  ARG  21          HH12      ARG  21 -10.821 -21.368   4.726
  167   HH21  ARG  21          HH21      ARG  21  -7.808 -22.443   6.206
  168   HH22  ARG  21          HH22      ARG  21  -9.354 -21.781   6.509
  169    H    GLY  22           H        GLY  22  -2.665 -19.975   0.706
  170    HA2  GLY  22           HA2      GLY  22  -1.511 -21.959   2.525
  171    HA3  GLY  22           HA1      GLY  22  -0.828 -21.675   0.919
  172    H    VAL  23           H        VAL  23   0.354 -21.291   3.557
  173    HA   VAL  23           HA       VAL  23   0.321 -18.618   4.409
  174    HB   VAL  23           HB       VAL  23   2.593 -20.597   4.720
  175   HG11  VAL  23          HG11      VAL  23   3.300 -18.323   5.217
  176   HG12  VAL  23          HG12      VAL  23   3.198 -19.271   6.701
  177   HG13  VAL  23          3HG1      VAL  23   1.926 -18.117   6.302
  178   HG21  VAL  23          HG21      VAL  23   1.603 -21.112   6.889
  179   HG22  VAL  23          HG22      VAL  23   0.485 -21.480   5.574
  180   HG23  VAL  23          HG23      VAL  23   0.262 -20.023   6.541
  181    H    GLU  24           H        GLU  24   2.591 -20.241   2.245
  182    HA   GLU  24           HA       GLU  24   4.248 -17.954   1.926
  183    HB2  GLU  24           HB2      GLU  24   4.028 -20.392   0.162
  184    HB3  GLU  24           HB1      GLU  24   5.339 -19.220   0.128
  185    HG2  GLU  24           HG2      GLU  24   5.787 -19.799   2.529
  186    HG3  GLU  24           HG1      GLU  24   4.631 -21.111   2.352
  187    H    GLN  25           H        GLN  25   1.512 -19.194   0.250
  188    HA   GLN  25           HA       GLN  25   1.620 -17.535  -2.013
  189    HB2  GLN  25           HB2      GLN  25  -0.657 -19.002  -0.671
  190    HB3  GLN  25           HB1      GLN  25  -0.871 -18.077  -2.145
  191    HG2  GLN  25           HG2      GLN  25  -0.652 -20.439  -2.668
  192    HG3  GLN  25           HG1      GLN  25   0.722 -19.548  -3.298
  193   HE21  GLN  25          1HE2      GLN  25   1.932 -21.396  -3.443
  194   HE22  GLN  25          2HE2      GLN  25   2.615 -22.193  -2.064
  195    H    GLN  26           H        GLN  26   0.095 -17.206   1.155
  196    HA   GLN  26           HA       GLN  26  -1.158 -14.681   0.708
  197    HB2  GLN  26           HB2      GLN  26  -0.066 -15.729   3.341
  198    HB3  GLN  26           HB1      GLN  26  -1.268 -14.465   3.100
  199    HG2  GLN  26           HG2      GLN  26  -1.621 -17.352   2.431
  200    HG3  GLN  26           HG1      GLN  26  -2.252 -16.530   3.856
  201   HE21  GLN  26          1HE2      GLN  26  -3.565 -17.895   1.696
  202   HE22  GLN  26          2HE2      GLN  26  -4.666 -16.753   1.020
  203    H    ARG  27           H        ARG  27   2.028 -15.637   1.780
  204    HA   ARG  27           HA       ARG  27   3.022 -13.154   2.549
  205    HB2  ARG  27           HB2      ARG  27   4.465 -15.499   1.348
  206    HB3  ARG  27           HB1      ARG  27   5.290 -14.084   1.976
  207    HG2  ARG  27           HG2      ARG  27   4.317 -14.507   4.177
  208    HG3  ARG  27           HG1      ARG  27   3.504 -15.934   3.530
  209    HD2  ARG  27           HD2      ARG  27   5.694 -16.896   2.964
  210    HD3  ARG  27           HD1      ARG  27   6.475 -15.477   3.655
  211    HE   ARG  27           HE       ARG  27   4.922 -16.306   5.647
  212   HH11  ARG  27          HH11      ARG  27   7.305 -18.016   3.649
  213   HH12  ARG  27          HH12      ARG  27   7.730 -19.138   4.842
  214   HH21  ARG  27          HH21      ARG  27   5.524 -17.843   7.322
  215   HH22  ARG  27          HH22      ARG  27   6.704 -19.023   7.005
  216    H    LYS  28           H        LYS  28   2.882 -14.584  -0.655
  217    HA   LYS  28           HA       LYS  28   4.266 -12.495  -1.988
  218    HB2  LYS  28           HB2      LYS  28   2.114 -14.363  -2.996
  219    HB3  LYS  28           HB1      LYS  28   3.026 -13.274  -4.024
  220    HG2  LYS  28           HG2      LYS  28   4.200 -15.505  -2.381
  221    HG3  LYS  28           HG1      LYS  28   3.853 -15.570  -4.111
  222    HD2  LYS  28           HD2      LYS  28   5.399 -13.643  -4.433
  223    HD3  LYS  28           HD1      LYS  28   5.814 -13.742  -2.722
  224    HE2  LYS  28           HE2      LYS  28   7.472 -14.877  -4.116
  225    HE3  LYS  28           HE1      LYS  28   6.653 -16.002  -3.037
  226    HZ1  LYS  28           HZ1      LYS  28   6.882 -16.901  -5.278
  227    HZ2  LYS  28           HZ2      LYS  28   5.977 -15.619  -5.913
  228    HZ3  LYS  28           HZ3      LYS  28   5.272 -16.718  -4.856
  229    H    CYS  29           H        CYS  29   0.829 -13.110  -1.580
  230    HA   CYS  29           HA       CYS  29  -0.267 -10.881  -2.776
  231    HB2  CYS  29           HB2      CYS  29  -1.151 -12.508  -0.426
  232    HB3  CYS  29           HB1      CYS  29  -2.223 -11.411  -1.265
  233    H    GLU  30           H        GLU  30   0.490 -11.358   0.655
  234    HA   GLU  30           HA       GLU  30  -0.304  -8.802   1.442
  235    HB2  GLU  30           HB2      GLU  30   1.393 -10.887   2.801
  236    HB3  GLU  30           HB1      GLU  30   0.937  -9.369   3.571
  237    HG2  GLU  30           HG2      GLU  30  -1.382  -9.902   3.371
  238    HG3  GLU  30           HG1      GLU  30  -1.028 -11.391   2.492
  239    H    GLN  31           H        GLN  31   2.799 -10.060   0.373
  240    HA   GLN  31           HA       GLN  31   4.349  -7.833   1.148
  241    HB2  GLN  31           HB2      GLN  31   5.323  -9.990   0.456
  242    HB3  GLN  31           HB1      GLN  31   4.779  -9.704  -1.191
  243    HG2  GLN  31           HG2      GLN  31   7.114  -9.187  -1.027
  244    HG3  GLN  31           HG1      GLN  31   6.210  -7.695  -1.273
  245   HE21  GLN  31          1HE2      GLN  31   7.675  -6.378  -0.374
  246   HE22  GLN  31          2HE2      GLN  31   8.074  -6.353   1.308
  247    H    VAL  32           H        VAL  32   2.961  -8.676  -2.014
  248    HA   VAL  32           HA       VAL  32   3.731  -6.351  -3.362
  249    HB   VAL  32           HB       VAL  32   1.341  -8.134  -3.939
  250   HG11  VAL  32          HG11      VAL  32   2.807  -6.243  -5.782
  251   HG12  VAL  32          HG12      VAL  32   1.218  -5.964  -5.087
  252   HG13  VAL  32          3HG1      VAL  32   1.459  -7.294  -6.223
  253   HG21  VAL  32          HG21      VAL  32   3.433  -9.371  -3.879
  254   HG22  VAL  32          HG22      VAL  32   4.161  -8.220  -4.999
  255   HG23  VAL  32          HG23      VAL  32   2.829  -9.246  -5.531
  256    H    CYS  33           H        CYS  33   0.634  -7.118  -1.789
  257    HA   CYS  33           HA       CYS  33  -0.456  -4.596  -2.370
  258    HB2  CYS  33           HB2      CYS  33  -1.325  -6.728  -0.416
  259    HB3  CYS  33           HB1      CYS  33  -2.219  -5.227  -0.647
  260    H    GLU  34           H        GLU  34   1.465  -5.720   0.404
  261    HA   GLU  34           HA       GLU  34   0.831  -3.439   1.979
  262    HB2  GLU  34           HB2      GLU  34   1.787  -5.635   2.877
  263    HB3  GLU  34           HB1      GLU  34   3.307  -5.128   2.188
  264    HG2  GLU  34           HG2      GLU  34   3.474  -3.267   3.633
  265    HG3  GLU  34           HG1      GLU  34   1.823  -3.495   4.213
  266    H    GLU  35           H        GLU  35   3.449  -4.204  -0.282
  267    HA   GLU  35           HA       GLU  35   4.829  -1.806   0.221
  268    HB2  GLU  35           HB2      GLU  35   4.836  -3.587  -2.211
  269    HB3  GLU  35           HB1      GLU  35   5.873  -2.177  -2.056
  270    HG2  GLU  35           HG2      GLU  35   6.818  -3.166   0.013
  271    HG3  GLU  35           HG1      GLU  35   5.868  -4.615  -0.300
  272    H    ARG  36           H        ARG  36   2.126  -2.540  -1.796
  273    HA   ARG  36           HA       ARG  36   2.030  -0.101  -3.258
  274    HB2  ARG  36           HB2      ARG  36   0.765  -2.243  -3.763
  275    HB3  ARG  36           HB1      ARG  36  -0.295  -1.843  -2.424
  276    HG2  ARG  36           HG2      ARG  36  -0.915   0.240  -3.572
  277    HG3  ARG  36           HG1      ARG  36   0.088  -0.245  -4.942
  278    HD2  ARG  36           HD2      ARG  36  -2.130  -0.867  -5.481
  279    HD3  ARG  36           HD1      ARG  36  -1.283  -2.351  -5.051
  280    HE   ARG  36           HE       ARG  36  -2.806  -0.999  -2.973
  281   HH11  ARG  36          HH11      ARG  36  -2.466  -3.850  -5.037
  282   HH12  ARG  36          HH12      ARG  36  -3.902  -4.572  -4.536
  283   HH21  ARG  36          HH21      ARG  36  -4.778  -1.978  -2.263
  284   HH22  ARG  36          HH22      ARG  36  -5.290  -3.476  -2.926
  285    H    LEU  37           H        LEU  37   0.755  -1.210  -0.207
  286    HA   LEU  37           HA       LEU  37  -0.744   1.087   0.491
  287    HB2  LEU  37           HB2      LEU  37   0.122  -1.419   1.758
  288    HB3  LEU  37           HB1      LEU  37  -0.201  -0.095   2.853
  289    HG   LEU  37           HG       LEU  37  -2.095  -1.671   2.483
  290   HD11  LEU  37          HD11      LEU  37  -2.415   0.515   3.375
  291   HD12  LEU  37          HD12      LEU  37  -3.748   0.130   2.273
  292   HD13  LEU  37          HD13      LEU  37  -2.452   1.217   1.759
  293   HD21  LEU  37          HD21      LEU  37  -2.206  -0.367  -0.243
  294   HD22  LEU  37          HD22      LEU  37  -3.437  -1.426   0.444
  295   HD23  LEU  37          HD23      LEU  37  -1.827  -2.057   0.087
  296    H    ARG  38           H        ARG  38   2.486  -0.011   1.191
  297    HA   ARG  38           HA       ARG  38   3.292   1.850   3.072
  298    HB2  ARG  38           HB2      ARG  38   4.508  -0.200   2.343
  299    HB3  ARG  38           HB1      ARG  38   4.954   0.636   0.870
  300    HG2  ARG  38           HG2      ARG  38   6.217   2.261   2.167
  301    HG3  ARG  38           HG1      ARG  38   5.747   1.439   3.659
  302    HD2  ARG  38           HD2      ARG  38   6.803  -0.619   2.811
  303    HD3  ARG  38           HD1      ARG  38   7.354   0.268   1.395
  304    HE   ARG  38           HE       ARG  38   8.157   1.505   3.820
  305   HH11  ARG  38          HH11      ARG  38   8.982  -1.053   1.517
  306   HH12  ARG  38          HH12      ARG  38  10.600  -1.198   2.022
  307   HH21  ARG  38          HH21      ARG  38  10.441   1.299   4.530
  308   HH22  ARG  38          HH22      ARG  38  11.442   0.190   3.708
  309    H    GLU  39           H        GLU  39   3.255   2.058  -0.434
  310    HA   GLU  39           HA       GLU  39   4.508   4.529  -0.797
  311    HB2  GLU  39           HB2      GLU  39   2.220   3.346  -2.360
  312    HB3  GLU  39           HB1      GLU  39   3.246   4.659  -2.908
  313    HG2  GLU  39           HG2      GLU  39   5.158   3.166  -2.958
  314    HG3  GLU  39           HG1      GLU  39   4.167   1.854  -2.323
  315    H    ARG  40           H        ARG  40   1.251   3.729   0.183
  316    HA   ARG  40           HA       ARG  40   0.269   6.431  -0.214
  317    HB2  ARG  40           HB2      ARG  40  -1.138   4.082   1.073
  318    HB3  ARG  40           HB1      ARG  40  -1.870   5.580   0.533
  319    HG2  ARG  40           HG2      ARG  40  -0.635   3.471  -1.228
  320    HG3  ARG  40           HG1      ARG  40  -2.355   3.762  -0.998
  321    HD2  ARG  40           HD2      ARG  40  -0.379   5.704  -2.197
  322    HD3  ARG  40           HD1      ARG  40  -1.515   4.709  -3.100
  323    HE   ARG  40           HE       ARG  40  -2.990   6.214  -1.283
  324   HH11  ARG  40          HH11      ARG  40  -0.965   6.790  -4.171
  325   HH12  ARG  40          HH12      ARG  40  -1.791   8.208  -4.599
  326   HH21  ARG  40          HH21      ARG  40  -4.100   8.177  -1.943
  327   HH22  ARG  40          HH22      ARG  40  -3.585   8.991  -3.345
  328    H    GLU  41           H        GLU  41   0.906   4.231   2.491
  329    HA   GLU  41           HA       GLU  41   0.019   6.136   4.441
  330    HB2  GLU  41           HB2      GLU  41   1.532   3.569   4.856
  331    HB3  GLU  41           HB1      GLU  41   0.697   4.494   6.091
  332    HG2  GLU  41           HG2      GLU  41  -1.440   4.042   4.971
  333    HG3  GLU  41           HG1      GLU  41  -0.586   3.098   3.749
  334    H    GLN  42           H        GLN  42   3.212   4.904   3.459
  335    HA   GLN  42           HA       GLN  42   4.484   6.582   5.455
  336    HB2  GLN  42           HB2      GLN  42   5.308   4.284   5.160
  337    HB3  GLN  42           HB1      GLN  42   5.671   4.618   3.475
  338    HG2  GLN  42           HG2      GLN  42   7.338   6.229   4.122
  339    HG3  GLN  42           HG1      GLN  42   6.967   5.990   5.823
  340   HE21  GLN  42          1HE2      GLN  42   9.010   5.392   6.281
  341   HE22  GLN  42          2HE2      GLN  42   9.698   3.875   5.814
  342    H    GLY  43           H        GLY  43   3.718   6.666   2.137
  343    HA2  GLY  43           HA2      GLY  43   5.440   9.021   1.867
  344    HA3  GLY  43           HA1      GLY  43   5.128   7.919   0.526
  345    H    ARG  44           H        ARG  44   4.339   9.727  -0.656
  346    HA   ARG  44           HA       ARG  44   1.596  10.518   0.132
  347    HB2  ARG  44           HB2      ARG  44   3.487  11.984  -1.743
  348    HB3  ARG  44           HB1      ARG  44   1.935  12.561  -1.159
  349    HG2  ARG  44           HG2      ARG  44   4.437  12.162   0.469
  350    HG3  ARG  44           HG1      ARG  44   3.714  13.700  -0.006
  351    HD2  ARG  44           HD2      ARG  44   1.807  13.305   1.376
  352    HD3  ARG  44           HD1      ARG  44   2.313  11.646   1.695
  353    HE   ARG  44           HE       ARG  44   4.046  13.830   2.498
  354   HH11  ARG  44          HH11      ARG  44   1.714  11.337   3.504
  355   HH12  ARG  44          HH12      ARG  44   2.297  11.252   5.095
  356   HH21  ARG  44          HH21      ARG  44   4.828  13.687   4.691
  357   HH22  ARG  44          HH22      ARG  44   4.098  12.615   5.787
  358    H    GLY  45           H        GLY  45   2.650   8.151  -1.170
  359    HA2  GLY  45           HA2      GLY  45   1.832   6.811  -2.870
  360    HA3  GLY  45           HA1      GLY  45   1.200   8.251  -3.689
  361    H    GLU  46           H        GLU  46   2.786   9.807  -4.354
  362    HA   GLU  46           HA       GLU  46   5.481   9.144  -4.709
  363    HB2  GLU  46           HB2      GLU  46   4.540   7.771  -6.553
  364    HB3  GLU  46           HB1      GLU  46   3.675   9.177  -7.154
  365    HG2  GLU  46           HG2      GLU  46   5.694   8.682  -8.459
  366    HG3  GLU  46           HG1      GLU  46   5.755  10.273  -7.705
  367    H    ASP  47           H        ASP  47   6.537  11.024  -5.426
  368    HA   ASP  47           HA       ASP  47   4.995  13.392  -4.919
  369    HB2  ASP  47           HB2      ASP  47   7.936  12.919  -5.363
  370    HB3  ASP  47           HB1      ASP  47   7.270  14.546  -5.336
  371    H    VAL  48           H        VAL  48   3.677  13.707  -6.500
  372    HA   VAL  48           HA       VAL  48   4.632  14.715  -8.965
  373    HB   VAL  48           HB       VAL  48   4.734  12.272  -9.439
  374   HG11  VAL  48          HG11      VAL  48   2.710  10.913  -9.596
  375   HG12  VAL  48          HG12      VAL  48   1.790  12.237  -8.880
  376   HG13  VAL  48          3HG1      VAL  48   3.056  11.440  -7.947
  377   HG21  VAL  48          HG21      VAL  48   3.382  12.238 -11.497
  378   HG22  VAL  48          HG22      VAL  48   4.271  13.746 -11.302
  379   HG23  VAL  48          HG23      VAL  48   2.543  13.691 -10.950
  380    H    ASP  49           H        ASP  49   3.054  15.981  -9.910
  381    HA   ASP  49           HA       ASP  49   0.630  16.305  -8.313
  382    HB2  ASP  49           HB2      ASP  49   2.055  18.271  -8.322
  383    HB3  ASP  49           HB1      ASP  49   2.099  18.263 -10.082
  Start of MODEL   20
    1    H    PCA   1           H        PGL   1 -13.233   7.327   8.799
    2    HA   PCA   1           HA       PGL   1 -14.434   8.234   6.790
    3    HB2  PCA   1           HB1      PGL   1 -13.196   9.868   5.792
    4    HB3  PCA   1           HB2      PGL   1 -12.205   8.568   5.073
    5    HG2  PCA   1           HG1      PGL   1 -11.426  10.427   7.135
    6    HG3  PCA   1           HG2      PGL   1 -10.486   9.045   6.481
    7    H    ARG   2           H        ARG   2 -14.330   7.286   4.504
    8    HA   ARG   2           HA       ARG   2 -13.227   4.571   4.679
    9    HB2  ARG   2           HB2      ARG   2 -15.677   5.493   3.178
   10    HB3  ARG   2           HB1      ARG   2 -15.030   3.861   3.140
   11    HG2  ARG   2           HG2      ARG   2 -16.224   5.295   5.498
   12    HG3  ARG   2           HG1      ARG   2 -16.924   3.935   4.619
   13    HD2  ARG   2           HD2      ARG   2 -14.407   3.903   6.296
   14    HD3  ARG   2           HD1      ARG   2 -15.954   3.191   6.723
   15    HE   ARG   2           HE       ARG   2 -15.065   2.144   4.272
   16   HH11  ARG   2          HH11      ARG   2 -14.355   1.923   7.744
   17   HH12  ARG   2          HH12      ARG   2 -13.758   0.337   7.640
   18   HH21  ARG   2          HH21      ARG   2 -14.207   0.000   4.164
   19   HH22  ARG   2          HH22      ARG   2 -13.641  -0.748   5.587
   20    H    GLY   3           H        GLY   3 -13.096   3.621   2.290
   21    HA2  GLY   3           HA2      GLY   3 -12.084   3.824   0.212
   22    HA3  GLY   3           HA1      GLY   3 -12.007   5.576   0.444
   23    H    SER   4           H        SER   4 -11.024   3.206   2.729
   24    HA   SER   4           HA       SER   4  -8.470   4.497   3.013
   25    HB2  SER   4           HB2      SER   4  -9.704   2.285   4.639
   26    HB3  SER   4           HB1      SER   4  -8.454   3.429   5.130
   27    HG   SER   4           HG       SER   4 -10.174   5.057   4.596
   28    HA   PRO   5           HA       PRO   5  -6.637   1.186   0.513
   29    HB2  PRO   5           HB2      PRO   5  -4.030   1.713   1.265
   30    HB3  PRO   5           HB1      PRO   5  -4.882   2.529  -0.046
   31    HG2  PRO   5           HG2      PRO   5  -4.446   3.421   2.766
   32    HG3  PRO   5           HG1      PRO   5  -4.373   4.355   1.261
   33    HD2  PRO   5           HD2      PRO   5  -6.492   4.512   2.862
   34    HD3  PRO   5           HD1      PRO   5  -6.676   4.524   1.102
   35    H    ARG   6           H        ARG   6  -6.193   1.638   3.943
   36    HA   ARG   6           HA       ARG   6  -4.789  -0.734   4.565
   37    HB2  ARG   6           HB2      ARG   6  -5.629  -0.476   6.843
   38    HB3  ARG   6           HB1      ARG   6  -5.121   1.081   6.215
   39    HG2  ARG   6           HG2      ARG   6  -7.481   1.671   5.810
   40    HG3  ARG   6           HG1      ARG   6  -7.959   0.091   6.406
   41    HD2  ARG   6           HD2      ARG   6  -6.485   2.165   8.016
   42    HD3  ARG   6           HD1      ARG   6  -8.217   1.844   8.103
   43    HE   ARG   6           HE       ARG   6  -7.031  -0.563   8.513
   44   HH11  ARG   6          HH11      ARG   6  -6.909   2.579  10.130
   45   HH12  ARG   6          HH12      ARG   6  -6.516   1.960  11.663
   46   HH21  ARG   6          HH21      ARG   6  -6.576  -1.442  10.621
   47   HH22  ARG   6          HH22      ARG   6  -6.346  -0.413  11.958
   48    H    ALA   7           H        ALA   7  -8.199  -0.109   4.029
   49    HA   ALA   7           HA       ALA   7  -9.051  -2.707   4.846
   50    HB1  ALA   7           HB1      ALA   7 -11.212  -2.035   3.872
   51    HB2  ALA   7           HB2      ALA   7 -10.449  -0.594   3.196
   52    HB3  ALA   7           HB3      ALA   7 -10.573  -0.787   4.943
   53    H    GLU   8           H        GLU   8  -8.359  -1.026   1.865
   54    HA   GLU   8           HA       GLU   8  -8.977  -3.018   0.014
   55    HB2  GLU   8           HB2      GLU   8  -6.771  -0.975  -0.135
   56    HB3  GLU   8           HB1      GLU   8  -7.408  -1.884  -1.491
   57    HG2  GLU   8           HG2      GLU   8  -9.618  -0.840  -1.057
   58    HG3  GLU   8           HG1      GLU   8  -8.833   0.181   0.152
   59    H    TYR   9           H        TYR   9  -6.064  -2.433   1.856
   60    HA   TYR   9           HA       TYR   9  -4.399  -4.391   0.773
   61    HB2  TYR   9           HB2      TYR   9  -3.532  -2.692   2.249
   62    HB3  TYR   9           HB1      TYR   9  -4.564  -3.235   3.558
   63    HD1  TYR   9           HD1      TYR   9  -1.660  -4.247   1.465
   64    HD2  TYR   9           HD2      TYR   9  -3.865  -4.863   5.031
   65    HE1  TYR   9           HE1      TYR   9   0.107  -5.750   2.289
   66    HE2  TYR   9           HE2      TYR   9  -2.140  -6.358   5.863
   67    HH   TYR   9           HH       TYR   9   0.935  -6.637   4.424
   68    H    GLU  10           H        GLU  10  -6.634  -4.561   3.491
   69    HA   GLU  10           HA       GLU  10  -6.173  -7.282   4.069
   70    HB2  GLU  10           HB2      GLU  10  -8.445  -5.428   4.759
   71    HB3  GLU  10           HB1      GLU  10  -8.309  -7.072   5.377
   72    HG2  GLU  10           HG2      GLU  10  -6.200  -4.968   5.776
   73    HG3  GLU  10           HG1      GLU  10  -7.503  -5.277   6.921
   74    H    VAL  11           H        VAL  11  -8.427  -5.649   1.942
   75    HA   VAL  11           HA       VAL  11  -9.911  -7.972   1.209
   76    HB   VAL  11           HB       VAL  11  -9.535  -5.366  -0.323
   77   HG11  VAL  11          HG11      VAL  11 -11.609  -7.532  -0.712
   78   HG12  VAL  11          HG12      VAL  11 -10.287  -7.158  -1.816
   79   HG13  VAL  11          3HG1      VAL  11 -11.573  -5.981  -1.550
   80   HG21  VAL  11          HG21      VAL  11 -11.716  -4.755   0.585
   81   HG22  VAL  11          HG22      VAL  11 -10.555  -5.065   1.876
   82   HG23  VAL  11          HG23      VAL  11 -11.776  -6.274   1.478
   83    H    CYS  12           H        CYS  12  -7.092  -6.354  -0.116
   84    HA   CYS  12           HA       CYS  12  -6.613  -7.868  -2.402
   85    HB2  CYS  12           HB2      CYS  12  -5.387  -5.783  -1.676
   86    HB3  CYS  12           HB1      CYS  12  -4.560  -6.747  -0.472
   87    H    ARG  13           H        ARG  13  -5.702  -8.384   0.949
   88    HA   ARG  13           HA       ARG  13  -4.357 -10.841   0.606
   89    HB2  ARG  13           HB2      ARG  13  -5.752  -9.621   2.964
   90    HB3  ARG  13           HB1      ARG  13  -4.825 -11.105   3.062
   91    HG2  ARG  13           HG2      ARG  13  -2.817  -9.869   2.389
   92    HG3  ARG  13           HG1      ARG  13  -3.775  -8.385   2.310
   93    HD2  ARG  13           HD2      ARG  13  -2.569  -8.579   4.437
   94    HD3  ARG  13           HD1      ARG  13  -4.319  -8.582   4.664
   95    HE   ARG  13           HE       ARG  13  -3.016 -11.153   4.447
   96   HH11  ARG  13          HH11      ARG  13  -4.498  -8.718   6.592
   97   HH12  ARG  13          HH12      ARG  13  -4.600  -9.759   7.922
   98   HH21  ARG  13          HH21      ARG  13  -3.150 -12.575   6.291
   99   HH22  ARG  13          HH22      ARG  13  -3.834 -12.037   7.747
  100    H    LEU  14           H        LEU  14  -7.712  -9.994   1.341
  101    HA   LEU  14           HA       LEU  14  -8.745 -12.524   1.915
  102    HB2  LEU  14           HB2      LEU  14  -9.934 -10.413   2.310
  103    HB3  LEU  14           HB1      LEU  14 -10.108 -10.186   0.589
  104    HG   LEU  14           HG       LEU  14 -11.556 -12.177   0.471
  105   HD11  LEU  14          HD11      LEU  14 -11.278 -12.201   3.469
  106   HD12  LEU  14          HD12      LEU  14 -10.696 -13.436   2.349
  107   HD13  LEU  14          HD13      LEU  14 -12.426 -13.160   2.538
  108   HD21  LEU  14          HD21      LEU  14 -12.421 -10.102   2.481
  109   HD22  LEU  14          HD22      LEU  14 -13.495 -11.181   1.591
  110   HD23  LEU  14          HD23      LEU  14 -12.549  -9.970   0.727
  111    H    ARG  15           H        ARG  15  -8.264 -10.910  -1.124
  112    HA   ARG  15           HA       ARG  15  -9.487 -12.746  -2.864
  113    HB2  ARG  15           HB2      ARG  15  -7.031 -11.026  -3.330
  114    HB3  ARG  15           HB1      ARG  15  -7.912 -11.865  -4.599
  115    HG2  ARG  15           HG2      ARG  15  -9.910 -10.553  -4.081
  116    HG3  ARG  15           HG1      ARG  15  -9.029  -9.719  -2.810
  117    HD2  ARG  15           HD2      ARG  15  -7.531  -8.735  -4.433
  118    HD3  ARG  15           HD1      ARG  15  -8.274  -9.663  -5.737
  119    HE   ARG  15           HE       ARG  15 -10.336  -8.314  -4.604
  120   HH11  ARG  15          HH11      ARG  15  -7.314  -7.235  -6.124
  121   HH12  ARG  15          HH12      ARG  15  -7.964  -5.733  -6.612
  122   HH21  ARG  15          HH21      ARG  15 -11.191  -6.290  -5.310
  123   HH22  ARG  15          HH22      ARG  15 -10.203  -5.189  -6.151
  124    H    CYS  16           H        CYS  16  -6.224 -12.673  -1.547
  125    HA   CYS  16           HA       CYS  16  -5.404 -15.071  -2.832
  126    HB2  CYS  16           HB2      CYS  16  -4.231 -13.557  -0.513
  127    HB3  CYS  16           HB1      CYS  16  -3.454 -14.910  -1.327
  128    H    GLN  17           H        GLN  17  -6.920 -14.312   0.226
  129    HA   GLN  17           HA       GLN  17  -6.341 -16.665   1.611
  130    HB2  GLN  17           HB2      GLN  17  -8.848 -14.991   1.823
  131    HB3  GLN  17           HB1      GLN  17  -8.370 -16.237   2.962
  132    HG2  GLN  17           HG2      GLN  17  -6.964 -13.638   2.411
  133    HG3  GLN  17           HG1      GLN  17  -7.833 -14.096   3.875
  134   HE21  GLN  17          1HE2      GLN  17  -6.874 -15.627   5.266
  135   HE22  GLN  17          2HE2      GLN  17  -5.181 -15.945   5.188
  136    H    VAL  18           H        VAL  18  -8.890 -15.999  -0.682
  137    HA   VAL  18           HA       VAL  18  -9.938 -18.667  -0.320
  138    HB   VAL  18           HB       VAL  18 -11.512 -16.801  -0.646
  139   HG11  VAL  18          HG11      VAL  18 -10.348 -16.648  -3.383
  140   HG12  VAL  18          HG12      VAL  18 -10.233 -15.436  -2.105
  141   HG13  VAL  18          3HG1      VAL  18 -11.802 -15.787  -2.857
  142   HG21  VAL  18          HG21      VAL  18 -11.621 -18.850  -2.861
  143   HG22  VAL  18          HG22      VAL  18 -12.975 -17.857  -2.324
  144   HG23  VAL  18          HG23      VAL  18 -12.262 -19.042  -1.230
  145    H    ALA  19           H        ALA  19  -7.866 -16.988  -2.559
  146    HA   ALA  19           HA       ALA  19  -8.117 -19.029  -4.566
  147    HB1  ALA  19           HB1      ALA  19  -6.568 -17.721  -5.860
  148    HB2  ALA  19           HB2      ALA  19  -6.189 -16.728  -4.453
  149    HB3  ALA  19           HB3      ALA  19  -7.801 -16.670  -5.164
  150    H    GLU  20           H        GLU  20  -5.518 -18.008  -2.339
  151    HA   GLU  20           HA       GLU  20  -3.854 -20.220  -3.249
  152    HB2  GLU  20           HB2      GLU  20  -3.280 -17.881  -1.431
  153    HB3  GLU  20           HB1      GLU  20  -2.097 -19.088  -1.886
  154    HG2  GLU  20           HG2      GLU  20  -3.467 -17.108  -3.691
  155    HG3  GLU  20           HG1      GLU  20  -1.774 -17.110  -3.200
  156    H    ARG  21           H        ARG  21  -3.026 -21.744  -1.800
  157    HA   ARG  21           HA       ARG  21  -4.463 -21.911   0.759
  158    HB2  ARG  21           HB2      ARG  21  -3.297 -24.136  -0.897
  159    HB3  ARG  21           HB1      ARG  21  -3.967 -24.355   0.705
  160    HG2  ARG  21           HG2      ARG  21  -6.162 -23.659  -0.111
  161    HG3  ARG  21           HG1      ARG  21  -5.477 -23.418  -1.720
  162    HD2  ARG  21           HD2      ARG  21  -6.616 -25.597  -1.501
  163    HD3  ARG  21           HD1      ARG  21  -4.902 -25.757  -1.881
  164    HE   ARG  21           HE       ARG  21  -5.827 -25.941   0.890
  165   HH11  ARG  21          HH11      ARG  21  -4.330 -27.509  -1.925
  166   HH12  ARG  21          HH12      ARG  21  -3.765 -28.862  -1.064
  167   HH21  ARG  21          HH21      ARG  21  -5.009 -27.830   2.089
  168   HH22  ARG  21          HH22      ARG  21  -4.151 -29.047   1.269
  169    H    GLY  22           H        GLY  22  -1.605 -21.355  -0.562
  170    HA2  GLY  22           HA2      GLY  22   0.007 -22.641   1.514
  171    HA3  GLY  22           HA1      GLY  22   0.615 -21.793   0.095
  172    H    VAL  23           H        VAL  23   1.059 -21.642   3.093
  173    HA   VAL  23           HA       VAL  23   0.111 -19.106   3.965
  174    HB   VAL  23           HB       VAL  23   2.436 -20.750   5.033
  175   HG11  VAL  23          HG11      VAL  23   2.132 -19.495   7.113
  176   HG12  VAL  23          HG12      VAL  23   0.886 -18.517   6.339
  177   HG13  VAL  23          3HG1      VAL  23   2.553 -18.430   5.771
  178   HG21  VAL  23          HG21      VAL  23  -0.447 -20.663   5.923
  179   HG22  VAL  23          HG22      VAL  23   0.848 -21.557   6.720
  180   HG23  VAL  23          HG23      VAL  23   0.345 -21.999   5.089
  181    H    GLU  24           H        GLU  24   3.103 -20.297   2.557
  182    HA   GLU  24           HA       GLU  24   4.515 -17.857   2.698
  183    HB2  GLU  24           HB2      GLU  24   4.837 -20.207   0.850
  184    HB3  GLU  24           HB1      GLU  24   5.924 -18.831   0.870
  185    HG2  GLU  24           HG2      GLU  24   6.492 -19.296   3.186
  186    HG3  GLU  24           HG1      GLU  24   5.380 -20.667   3.184
  187    H    GLN  25           H        GLN  25   2.250 -19.141   0.411
  188    HA   GLN  25           HA       GLN  25   2.649 -17.156  -1.566
  189    HB2  GLN  25           HB2      GLN  25   0.384 -19.040  -1.016
  190    HB3  GLN  25           HB1      GLN  25   0.341 -17.887  -2.340
  191    HG2  GLN  25           HG2      GLN  25   2.409 -20.035  -1.953
  192    HG3  GLN  25           HG1      GLN  25   1.050 -20.096  -3.078
  193   HE21  GLN  25          1HE2      GLN  25   4.170 -18.716  -2.438
  194   HE22  GLN  25          2HE2      GLN  25   4.385 -18.034  -4.001
  195    H    GLN  26           H        GLN  26   0.598 -17.379   1.256
  196    HA   GLN  26           HA       GLN  26  -0.882 -15.007   0.683
  197    HB2  GLN  26           HB2      GLN  26  -0.371 -16.190   3.430
  198    HB3  GLN  26           HB1      GLN  26  -1.675 -15.114   2.957
  199    HG2  GLN  26           HG2      GLN  26  -1.317 -17.968   2.086
  200    HG3  GLN  26           HG1      GLN  26  -2.484 -17.365   3.251
  201   HE21  GLN  26          1HE2      GLN  26  -4.182 -18.171   2.082
  202   HE22  GLN  26          2HE2      GLN  26  -4.692 -17.457   0.581
  203    H    ARG  27           H        ARG  27   2.026 -15.726   2.474
  204    HA   ARG  27           HA       ARG  27   2.563 -13.145   3.444
  205    HB2  ARG  27           HB2      ARG  27   4.516 -15.314   2.631
  206    HB3  ARG  27           HB1      ARG  27   4.963 -13.867   3.521
  207    HG2  ARG  27           HG2      ARG  27   3.543 -14.553   5.381
  208    HG3  ARG  27           HG1      ARG  27   3.033 -15.976   4.475
  209    HD2  ARG  27           HD2      ARG  27   5.351 -16.786   4.453
  210    HD3  ARG  27           HD1      ARG  27   5.850 -15.355   5.352
  211    HE   ARG  27           HE       ARG  27   3.943 -16.392   6.914
  212   HH11  ARG  27          HH11      ARG  27   6.909 -17.763   5.530
  213   HH12  ARG  27          HH12      ARG  27   7.119 -18.927   6.739
  214   HH21  ARG  27          HH21      ARG  27   4.242 -17.989   8.634
  215   HH22  ARG  27          HH22      ARG  27   5.572 -19.044   8.575
  216    H    LYS  28           H        LYS  28   3.357 -14.680   0.357
  217    HA   LYS  28           HA       LYS  28   4.749 -12.536  -0.818
  218    HB2  LYS  28           HB2      LYS  28   3.047 -14.700  -2.056
  219    HB3  LYS  28           HB1      LYS  28   3.878 -13.494  -3.021
  220    HG2  LYS  28           HG2      LYS  28   5.210 -15.430  -1.143
  221    HG3  LYS  28           HG1      LYS  28   5.084 -15.628  -2.892
  222    HD2  LYS  28           HD2      LYS  28   6.309 -13.491  -3.185
  223    HD3  LYS  28           HD1      LYS  28   6.508 -13.391  -1.440
  224    HE2  LYS  28           HE2      LYS  28   8.515 -14.277  -2.499
  225    HE3  LYS  28           HE1      LYS  28   7.773 -15.485  -1.458
  226    HZ1  LYS  28           HZ1      LYS  28   8.497 -16.379  -3.595
  227    HZ2  LYS  28           HZ2      LYS  28   7.395 -15.374  -4.406
  228    HZ3  LYS  28           HZ3      LYS  28   6.849 -16.570  -3.361
  229    H    CYS  29           H        CYS  29   1.307 -13.356  -0.883
  230    HA   CYS  29           HA       CYS  29   0.417 -11.187  -2.335
  231    HB2  CYS  29           HB2      CYS  29  -0.857 -12.863  -0.218
  232    HB3  CYS  29           HB1      CYS  29  -1.745 -11.533  -0.937
  233    H    GLU  30           H        GLU  30   0.795 -11.442   1.184
  234    HA   GLU  30           HA       GLU  30  -0.090  -8.909   1.859
  235    HB2  GLU  30           HB2      GLU  30   2.079 -10.560   3.160
  236    HB3  GLU  30           HB1      GLU  30   1.355  -9.127   3.877
  237    HG2  GLU  30           HG2      GLU  30  -0.822 -10.223   3.897
  238    HG3  GLU  30           HG1      GLU  30  -0.109 -11.655   3.156
  239    H    GLN  31           H        GLN  31   3.159  -9.924   0.931
  240    HA   GLN  31           HA       GLN  31   4.364  -7.377   1.212
  241    HB2  GLN  31           HB2      GLN  31   5.196  -9.756  -0.446
  242    HB3  GLN  31           HB1      GLN  31   6.198  -8.336  -0.178
  243    HG2  GLN  31           HG2      GLN  31   5.153 -10.126   2.001
  244    HG3  GLN  31           HG1      GLN  31   6.757 -10.246   1.284
  245   HE21  GLN  31          1HE2      GLN  31   4.667  -8.321   3.298
  246   HE22  GLN  31          2HE2      GLN  31   5.905  -7.354   3.991
  247    H    VAL  32           H        VAL  32   3.042  -9.038  -1.639
  248    HA   VAL  32           HA       VAL  32   3.672  -6.976  -3.459
  249    HB   VAL  32           HB       VAL  32   1.543  -9.136  -3.653
  250   HG11  VAL  32          HG11      VAL  32   2.609  -7.322  -5.828
  251   HG12  VAL  32          HG12      VAL  32   0.973  -7.304  -5.169
  252   HG13  VAL  32          3HG1      VAL  32   1.543  -8.705  -6.075
  253   HG21  VAL  32          HG21      VAL  32   3.167 -10.228  -5.141
  254   HG22  VAL  32          HG22      VAL  32   3.800 -10.007  -3.510
  255   HG23  VAL  32          HG23      VAL  32   4.321  -8.937  -4.811
  256    H    CYS  33           H        CYS  33   0.782  -7.547  -1.512
  257    HA   CYS  33           HA       CYS  33  -0.656  -5.348  -2.583
  258    HB2  CYS  33           HB2      CYS  33  -0.973  -6.634   0.152
  259    HB3  CYS  33           HB1      CYS  33  -2.153  -5.606  -0.644
  260    H    GLU  34           H        GLU  34   1.673  -5.754   0.016
  261    HA   GLU  34           HA       GLU  34   1.300  -3.278   1.270
  262    HB2  GLU  34           HB2      GLU  34   2.397  -5.273   2.282
  263    HB3  GLU  34           HB1      GLU  34   3.779  -4.994   1.239
  264    HG2  GLU  34           HG2      GLU  34   4.210  -2.885   2.314
  265    HG3  GLU  34           HG1      GLU  34   2.755  -3.066   3.294
  266    H    GLU  35           H        GLU  35   3.177  -4.293  -1.475
  267    HA   GLU  35           HA       GLU  35   4.891  -2.150  -1.851
  268    HB2  GLU  35           HB2      GLU  35   3.376  -3.798  -3.866
  269    HB3  GLU  35           HB1      GLU  35   4.559  -2.604  -4.347
  270    HG2  GLU  35           HG2      GLU  35   5.089  -5.044  -2.652
  271    HG3  GLU  35           HG1      GLU  35   5.481  -4.865  -4.359
  272    H    ARG  36           H        ARG  36   1.467  -2.390  -2.728
  273    HA   ARG  36           HA       ARG  36   1.317   0.245  -3.863
  274    HB2  ARG  36           HB2      ARG  36  -0.319  -1.418  -4.569
  275    HB3  ARG  36           HB1      ARG  36  -0.858  -1.642  -2.910
  276    HG2  ARG  36           HG2      ARG  36  -1.726   0.629  -2.857
  277    HG3  ARG  36           HG1      ARG  36  -1.129   0.905  -4.489
  278    HD2  ARG  36           HD2      ARG  36  -3.516   0.466  -4.495
  279    HD3  ARG  36           HD1      ARG  36  -2.638  -0.797  -5.339
  280    HE   ARG  36           HE       ARG  36  -2.893  -2.076  -3.145
  281   HH11  ARG  36          HH11      ARG  36  -5.242   0.428  -3.936
  282   HH12  ARG  36          HH12      ARG  36  -6.621  -0.460  -3.529
  283   HH21  ARG  36          HH21      ARG  36  -4.765  -3.379  -2.614
  284   HH22  ARG  36          HH22      ARG  36  -6.343  -2.743  -2.776
  285    H    LEU  37           H        LEU  37   0.668  -1.200  -0.786
  286    HA   LEU  37           HA       LEU  37  -0.625   0.998   0.384
  287    HB2  LEU  37           HB2      LEU  37   0.457  -1.565   1.316
  288    HB3  LEU  37           HB1      LEU  37   0.247  -0.334   2.541
  289    HG   LEU  37           HG       LEU  37  -1.652  -1.955   2.288
  290   HD11  LEU  37          HD11      LEU  37  -3.380  -0.198   2.451
  291   HD12  LEU  37          HD12      LEU  37  -2.200   0.977   1.854
  292   HD13  LEU  37          HD13      LEU  37  -1.940   0.171   3.398
  293   HD21  LEU  37          HD21      LEU  37  -1.706  -2.153  -0.148
  294   HD22  LEU  37          HD22      LEU  37  -2.129  -0.449  -0.293
  295   HD23  LEU  37          HD23      LEU  37  -3.261  -1.572   0.453
  296    H    ARG  38           H        ARG  38   2.749   0.099   0.250
  297    HA   ARG  38           HA       ARG  38   3.776   1.945   2.073
  298    HB2  ARG  38           HB2      ARG  38   4.967   0.087   0.906
  299    HB3  ARG  38           HB1      ARG  38   4.972   1.079  -0.540
  300    HG2  ARG  38           HG2      ARG  38   6.273   2.782   0.680
  301    HG3  ARG  38           HG1      ARG  38   6.336   1.687   2.067
  302    HD2  ARG  38           HD2      ARG  38   7.320   1.143  -0.688
  303    HD3  ARG  38           HD1      ARG  38   8.351   1.481   0.717
  304    HE   ARG  38           HE       ARG  38   7.424  -0.632   1.656
  305   HH11  ARG  38          HH11      ARG  38   7.480  -0.160  -1.861
  306   HH12  ARG  38          HH12      ARG  38   7.426  -1.819  -2.208
  307   HH21  ARG  38          HH21      ARG  38   7.343  -2.929   1.132
  308   HH22  ARG  38          HH22      ARG  38   7.347  -3.387  -0.514
  309    H    GLU  39           H        GLU  39   2.908   2.222  -1.330
  310    HA   GLU  39           HA       GLU  39   3.810   4.884  -1.666
  311    HB2  GLU  39           HB2      GLU  39   1.733   3.344  -3.226
  312    HB3  GLU  39           HB1      GLU  39   2.458   4.863  -3.726
  313    HG2  GLU  39           HG2      GLU  39   3.862   2.231  -3.371
  314    HG3  GLU  39           HG1      GLU  39   3.471   3.012  -4.898
  315    H    ARG  40           H        ARG  40   0.767   3.413  -0.728
  316    HA   ARG  40           HA       ARG  40  -0.556   5.937  -0.661
  317    HB2  ARG  40           HB2      ARG  40  -1.448   3.228   0.239
  318    HB3  ARG  40           HB1      ARG  40  -2.390   4.669   0.580
  319    HG2  ARG  40           HG2      ARG  40  -1.688   3.543  -2.129
  320    HG3  ARG  40           HG1      ARG  40  -3.281   3.625  -1.375
  321    HD2  ARG  40           HD2      ARG  40  -1.616   5.883  -2.494
  322    HD3  ARG  40           HD1      ARG  40  -3.243   5.394  -2.944
  323    HE   ARG  40           HE       ARG  40  -2.954   6.316  -0.212
  324   HH11  ARG  40          HH11      ARG  40  -3.984   7.217  -3.490
  325   HH12  ARG  40          HH12      ARG  40  -4.629   8.721  -2.977
  326   HH21  ARG  40          HH21      ARG  40  -3.735   8.387   0.400
  327   HH22  ARG  40          HH22      ARG  40  -4.502   9.391  -0.738
  328    H    GLU  41           H        GLU  41   1.317   4.241   1.701
  329    HA   GLU  41           HA       GLU  41   0.329   5.923   3.827
  330    HB2  GLU  41           HB2      GLU  41   2.816   4.208   3.709
  331    HB3  GLU  41           HB1      GLU  41   2.252   5.047   5.148
  332    HG2  GLU  41           HG2      GLU  41   0.164   3.722   5.024
  333    HG3  GLU  41           HG1      GLU  41   0.867   2.824   3.679
  334    H    GLN  42           H        GLN  42   2.601   6.119   1.357
  335    HA   GLN  42           HA       GLN  42   3.933   8.467   2.414
  336    HB2  GLN  42           HB2      GLN  42   5.065   6.763   0.949
  337    HB3  GLN  42           HB1      GLN  42   3.974   7.218  -0.344
  338    HG2  GLN  42           HG2      GLN  42   4.929   9.450  -0.386
  339    HG3  GLN  42           HG1      GLN  42   5.992   9.030   0.956
  340   HE21  GLN  42          1HE2      GLN  42   5.217   6.825  -1.648
  341   HE22  GLN  42          2HE2      GLN  42   6.782   6.805  -2.349
  342    H    GLY  43           H        GLY  43   1.228   7.521   0.620
  343    HA2  GLY  43           HA2      GLY  43   0.657  10.058  -0.606
  344    HA3  GLY  43           HA1      GLY  43  -0.330   8.599  -0.671
  345    H    ARG  44           H        ARG  44   0.824  10.991   1.565
  346    HA   ARG  44           HA       ARG  44  -1.557  10.801   3.201
  347    HB2  ARG  44           HB2      ARG  44   0.967  12.431   3.377
  348    HB3  ARG  44           HB1      ARG  44  -0.348  12.556   4.542
  349    HG2  ARG  44           HG2      ARG  44   0.021  10.454   5.401
  350    HG3  ARG  44           HG1      ARG  44   0.813   9.884   3.932
  351    HD2  ARG  44           HD2      ARG  44   1.961  11.913   5.831
  352    HD3  ARG  44           HD1      ARG  44   2.356  10.188   5.826
  353    HE   ARG  44           HE       ARG  44   2.820  11.931   3.498
  354   HH11  ARG  44          HH11      ARG  44   4.021   9.530   5.810
  355   HH12  ARG  44          HH12      ARG  44   5.452   9.219   4.954
  356   HH21  ARG  44          HH21      ARG  44   4.798  11.505   2.323
  357   HH22  ARG  44          HH22      ARG  44   5.940  10.421   2.956
  358    H    GLY  45           H        GLY  45  -0.708  12.161   0.445
  359    HA2  GLY  45           HA2      GLY  45  -2.868  14.098   0.559
  360    HA3  GLY  45           HA1      GLY  45  -1.328  14.504  -0.222
  361    H    GLU  46           H        GLU  46  -3.601  14.433  -1.804
  362    HA   GLU  46           HA       GLU  46  -3.635  11.760  -2.921
  363    HB2  GLU  46           HB2      GLU  46  -5.431  14.115  -3.407
  364    HB3  GLU  46           HB1      GLU  46  -5.551  12.590  -4.275
  365    HG2  GLU  46           HG2      GLU  46  -5.893  13.022  -1.328
  366    HG3  GLU  46           HG1      GLU  46  -7.147  12.605  -2.500
  367    H    ASP  47           H        ASP  47  -1.535  13.972  -3.362
  368    HA   ASP  47           HA       ASP  47  -1.775  14.308  -6.236
  369    HB2  ASP  47           HB2      ASP  47   0.305  15.365  -4.313
  370    HB3  ASP  47           HB1      ASP  47   0.350  15.614  -6.052
  371    H    VAL  48           H        VAL  48  -1.030  11.810  -4.603
  372    HA   VAL  48           HA       VAL  48   1.393  10.957  -5.895
  373    HB   VAL  48           HB       VAL  48   0.862   8.699  -4.970
  374   HG11  VAL  48          HG11      VAL  48   1.107   9.290  -2.620
  375   HG12  VAL  48          HG12      VAL  48   0.606  10.942  -2.980
  376   HG13  VAL  48          3HG1      VAL  48   2.114  10.313  -3.647
  377   HG21  VAL  48          HG21      VAL  48  -1.584   8.804  -5.088
  378   HG22  VAL  48          HG22      VAL  48  -1.597  10.055  -3.844
  379   HG23  VAL  48          HG23      VAL  48  -1.050   8.426  -3.450
  380    H    ASP  49           H        ASP  49  -1.740  11.353  -6.835
  381    HA   ASP  49           HA       ASP  49  -1.599   9.329  -8.932
  382    HB2  ASP  49           HB2      ASP  49  -3.661   9.267  -7.636
  383    HB3  ASP  49           HB1      ASP  49  -3.923  10.985  -7.915