*HEADER    PLANT PROTEIN                           29-APR-20   6WQJ              
*TITLE     SOLUTION STRUCTURE OF VICILIN-BURIED PEPTIDE-10 FROM CUCUMBER         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VICILIN-BURIED PEPTIDE-10;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CUCUMIS SATIVUS;                                
*SOURCE   4 ORGANISM_COMMON: CUCUMBER;                                           
*SOURCE   5 ORGANISM_TAXID: 3659                                                 
*KEYWDS    PLANT PROTEIN                                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.D.PAYNE,K.J.ROSENGREN                                               
*REVDAT   1   21-OCT-20 6WQJ    0                                                
# Restraints file 1: VBP-10_restraints.tbl
!Dihedral restrains from TALOS-N
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0  -64.5   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  -31.9   20.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -67.2   20.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  -31.5   20.3 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -68.5   20.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  -32.0   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  -71.0   20.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  -34.6   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  -59.8   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  -32.7   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  -71.4   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  -23.4   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  -60.3   30.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  -41.3   30.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -64.3   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  -34.2   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  -67.8   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  -31.8   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  -75.9   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  -34.0   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 -133.1   22.9 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0   78.0   29.2 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  140.3   20.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -63.4   20.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -38.7   20.0 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0  -63.8   20.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  -39.5   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  -68.7   20.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  -39.6   20.0 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -67.4   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  -37.3   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  -67.8   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  -36.5   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  -66.6   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  -37.7   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  -65.6   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  -40.2   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  -66.7   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  -40.0   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  -67.4   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  -38.4   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  -64.8   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  -38.0   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  -65.7   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  -35.6   20.0 2
assign (resid 30    and name C    ) (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    )    1.0  -67.5   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  -37.5   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  -68.8   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  -34.5   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  -70.3   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  -23.7   23.7 2

!Dihedral CHI1 and CHI2 restraints for CYSS residues from DISH

assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name CB   ) (resid 11    and name SG   )    1.0  -60.0   30.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name CB   ) (resid 25    and name SG   )    1.0  -60.0   30.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name CB   ) (resid 29    and name SG   )    1.0  180.0   30.0 2

assign (resid  7    and name CA   ) (resid  7    and name CB   ) (resid  7    and name SG   ) (resid 29    and name SG   )    1.0  -75.0   45.0 2
assign (resid 11    and name CA   ) (resid 11    and name CB   ) (resid 11    and name SG   ) (resid 25    and name SG   )    1.0  -75.0   45.0 2
assign (resid 25    and name CA   ) (resid 25    and name CB   ) (resid 25    and name SG   ) (resid 11    and name SG   )    1.0  -75.0   45.0 2
assign (resid 29    and name CA   ) (resid 29    and name CB   ) (resid 29    and name SG   ) (resid  7    and name SG   )    1.0   75.0   45.0 2

!Hbond restraints from Temperature Coefficients and Preliminary Calculations in CYANA 3.98.5
assign (resid 5    and name HN   ) (resid 1    and name O )    0.00    0.00    2.30
assign (resid 5    and name N    ) (resid 1    and name O )    0.00    0.00    3.30
assign (resid 6    and name HN   ) (resid 2    and name O )    0.00    0.00    2.30
assign (resid 6    and name N    ) (resid 2    and name O )    0.00    0.00    3.30
assign (resid 7    and name HN   ) (resid 3    and name O )    0.00    0.00    2.30
assign (resid 7    and name N    ) (resid 3    and name O )    0.00    0.00    3.30
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 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 13    and name HN   ) (resid 9    and name O )    0.00    0.00    2.30
assign (resid 13    and name N    ) (resid 9    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 23    and name HN   ) (resid 19    and name O )    0.00    0.00    2.30
assign (resid 23    and name N    ) (resid 19    and name O )    0.00    0.00    3.30
assign (resid 25    and name HN   ) (resid 21    and name O )    0.00    0.00    2.30
assign (resid 25    and name N    ) (resid 21    and name O )    0.00    0.00    3.30
assign (resid 26    and name N    ) (resid 22    and name O )    0.00    0.00    3.30
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 31    and name HN   ) (resid 27    and name O )    0.00    0.00    2.30
assign (resid 31    and name N    ) (resid 27    and name O )    0.00    0.00    3.30
assign (resid 32    and name HN   ) (resid 28    and name O )    0.00    0.00    2.30
assign (resid 32    and name N    ) (resid 28    and name O )    0.00    0.00    3.30
assign (resid 33    and name HN   ) (resid 29    and name O )    0.00    0.00    2.30
assign (resid 33    and name N    ) (resid 29    and name O )    0.00    0.00    3.30
assign (resid 34    and name HN   ) (resid 30    and name O )    0.00    0.00    2.30
assign (resid 34    and name N    ) (resid 30    and name O )    0.00    0.00    3.30

!Inter-proton Distance Restraints from CYANA 3.98.5
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.535    0.735    0.735  
assign (resid   4 and name   HN)   (resid   4 and name HG2#)   2.765    0.965    0.965  
assign (resid   4 and name HG2#)   (resid   5 and name   HN)   3.250    1.450    1.450  
assign (resid   4 and name   HB)   (resid   5 and name   HN)   2.835    1.035    1.035  
assign (resid   4 and name   HA)   (resid   4 and name   HB)   2.360    0.560    0.560  
assign (resid   4 and name   HA)   (resid   4 and name HG2#)   2.540    0.740    0.740  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   2.875    1.075    1.075  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.445    0.645    0.645  
assign (resid   5 and name   HA)   (resid   5 and name  HG#)   2.835    1.035    1.035  
assign (resid  34 and name   HA)   (resid  34 and name  HD#)   3.055    1.255    1.255  
assign (resid   2 and name   HA)   (resid   2 and name  HD#)   3.295    1.495    1.495  
assign (resid  34 and name  HB1)   (resid  35 and name   HN)   3.195    1.395    1.395  
assign (resid  34 and name   HA)   (resid  35 and name   HN)   2.605    0.805    0.805  
assign (resid  18 and name  HA1)   (resid  19 and name   HN)   2.600    0.800    0.800  
assign (resid  18 and name  HA2)   (resid  19 and name   HN)   2.600    0.800    0.800  
assign (resid   7 and name   HA)   (resid  10 and name   HN)   3.060    1.260    1.260  
assign (resid   6 and name HG2#)   (resid   6 and name HG11)   3.010    1.210    1.210  
assign (resid   6 and name   HN)   (resid   6 and name HD1#)   3.085    1.285    1.285  
assign (resid   6 and name HD1#)   (resid   7 and name   HN)   2.885    1.085    1.085  
assign (resid   6 and name   HB)   (resid   7 and name   HN)   2.980    1.180    1.180  
assign (resid   6 and name   HN)   (resid   6 and name   HB)   2.780    0.980    0.980  
assign (resid   6 and name   HN)   (resid   6 and name HG2#)   3.055    1.255    1.255  
assign (resid   6 and name   HN)   (resid   6 and name HG12)   3.005    1.205    1.205  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.465    0.665    0.665  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   3.095    1.295    1.295  
assign (resid   5 and name   HA)   (resid   8 and name   HN)   3.455    1.655    1.655  
assign (resid  33 and name   HN)   (resid  33 and name HD2#)   3.480    1.680    1.680  
assign (resid  33 and name   HN)   (resid  33 and name HD1#)   3.480    1.680    1.680  
assign (resid  33 and name   HN)   (resid  33 and name  HB1)   2.790    0.990    0.990  
assign (resid  33 and name   HN)   (resid  33 and name  HB2)   2.790    0.990    0.990  
assign (resid  33 and name   HA)   (resid  33 and name HD1#)   3.065    1.265    1.265  
assign (resid  33 and name   HA)   (resid  33 and name HD2#)   3.065    1.265    1.265  
assign (resid  33 and name  HB2)   (resid  33 and name HD1#)   2.930    1.130    1.130  
assign (resid  33 and name  HB2)   (resid  33 and name HD2#)   2.930    1.130    1.130  
assign (resid  33 and name  HB1)   (resid  33 and name HD1#)   2.930    1.130    1.130  
assign (resid  33 and name  HB1)   (resid  33 and name HD2#)   2.930    1.130    1.130  
assign (resid   6 and name HG2#)   (resid   6 and name HD1#)   2.770    0.970    0.970  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.665    0.865    0.865  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.665    0.865    0.865  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   2.905    1.105    1.105  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   2.905    1.105    1.105  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.905    1.105    1.105  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.905    1.105    1.105  
assign (resid  10 and name   HA)   (resid  10 and name  HE3)   3.140    1.340    1.340  
assign (resid  10 and name   HA)   (resid  10 and name  HD1)   2.910    1.110    1.110  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   3.485    1.685    1.685  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.395    1.595    1.595  
assign (resid  12 and name   HN)   (resid  12 and name  HG1)   3.560    1.760    1.760  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   2.565    0.765    0.765  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   3.405    1.605    1.605  
assign (resid  13 and name   HN)   (resid  13 and name HG1#)   3.390    1.590    1.590  
assign (resid  13 and name   HN)   (resid  13 and name HG2#)   3.390    1.590    1.590  
assign (resid  13 and name   HN)   (resid  13 and name   HB)   2.860    1.060    1.060  
assign (resid  13 and name   HA)   (resid  13 and name HG1#)   2.750    0.950    0.950  
assign (resid  13 and name   HA)   (resid  13 and name HG2#)   2.750    0.950    0.950  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.665    0.865    0.865  
assign (resid  17 and name  HB#)   (resid  18 and name   HN)   3.545    1.745    1.745  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   3.120    1.320    1.320  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.850    1.050    1.050  
assign (resid   3 and name   HN)   (resid   3 and name  HG#)   2.875    1.075    1.075  
assign (resid   3 and name   HA)   (resid   3 and name  HG#)   2.780    0.980    0.980  
assign (resid   3 and name  HG#)   (resid   4 and name   HN)   2.975    1.175    1.175  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.670    0.870    0.870  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.670    0.870    0.870  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.655    0.855    0.855  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   2.630    0.830    0.830  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.935    1.135    1.135  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.970    1.170    1.170  
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.590    0.790    0.790  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.745    0.945    0.945  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   3.200    1.400    1.400  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.155    1.355    1.355  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.575    0.775    0.775  
assign (resid  15 and name   HN)   (resid  15 and name  HG2)   3.650    1.850    1.850  
assign (resid  15 and name   HN)   (resid  15 and name  HG1)   3.650    1.850    1.850  
assign (resid  20 and name   HN)   (resid  20 and name  HG#)   3.250    1.450    1.450  
assign (resid  32 and name   HN)   (resid  32 and name  HG2)   3.420    1.620    1.620  
assign (resid  32 and name   HN)   (resid  32 and name  HG1)   3.420    1.620    1.620  
assign (resid  32 and name   HA)   (resid  32 and name  HD#)   3.130    1.330    1.330  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.490    0.690    0.690  
assign (resid  31 and name   HN)   (resid  31 and name  HG1)   3.280    1.480    1.480  
assign (resid  31 and name   HN)   (resid  31 and name  HG2)   3.280    1.480    1.480  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.515    0.715    0.715  
assign (resid  31 and name  HB#)   (resid  32 and name   HN)   3.020    1.220    1.220  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   2.980    1.180    1.180  
assign (resid  29 and name   HN)   (resid  29 and name  HB2)   2.750    0.950    0.950  
assign (resid  29 and name   HN)   (resid  29 and name  HB1)   2.750    0.950    0.950  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   3.095    1.295    1.295  
assign (resid  24 and name   HA)   (resid  26 and name   HN)   3.240    1.440    1.440  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.425    0.625    0.625  
assign (resid  23 and name   HN)   (resid  23 and name  HG2)   3.255    1.455    1.455  
assign (resid  23 and name   HN)   (resid  23 and name  HG1)   3.255    1.455    1.455  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   2.355    0.555    0.555  
assign (resid  24 and name   HA)   (resid  24 and name  HD#)   3.100    1.300    1.300  
assign (resid  23 and name  HB#)   (resid  23 and name  HD#)   2.870    1.070    1.070  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   2.775    0.975    0.975  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.870    1.070    1.070  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.870    1.070    1.070  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.985    1.185    1.185  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   3.280    1.480    1.480  
assign (resid  26 and name   HN)   (resid  26 and name  HB2)   2.825    1.025    1.025  
assign (resid  26 and name   HN)   (resid  26 and name  HB1)   2.825    1.025    1.025  
assign (resid  27 and name   HN)   (resid  27 and name  HG2)   3.650    1.850    1.850  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   3.030    1.230    1.230  
assign (resid  28 and name   HN)   (resid  28 and name  HB2)   2.815    1.015    1.015  
assign (resid  28 and name   HN)   (resid  28 and name  HB1)   2.815    1.015    1.015  
assign (resid  28 and name  HB1)   (resid  29 and name   HN)   3.140    1.340    1.340  
assign (resid  28 and name  HB2)   (resid  29 and name   HN)   3.140    1.340    1.340  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.965    1.165    1.165  
assign (resid  20 and name  HG#)   (resid  21 and name   HN)   3.035    1.235    1.235  
assign (resid  22 and name   HN)   (resid  22 and name  HG#)   3.650    1.850    1.850  
assign (resid  22 and name   HA)   (resid  22 and name  HG#)   2.890    1.090    1.090  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.750    0.950    0.950  
assign (resid   8 and name  HB#)   (resid   8 and name   HE)   3.030    1.230    1.230  
assign (resid  23 and name  HB#)   (resid  23 and name   HE)   2.895    1.095    1.095  
assign (resid  24 and name  HB#)   (resid  24 and name   HE)   3.060    1.260    1.260  
assign (resid  32 and name  HB#)   (resid  32 and name   HE)   3.220    1.420    1.420  
assign (resid  32 and name   HN)   (resid  32 and name  HB#)   2.945    1.145    1.145  
assign (resid  15 and name   HA)   (resid  16 and name  HD2)   2.715    0.915    0.915  
assign (resid  15 and name   HA)   (resid  16 and name  HD1)   2.715    0.915    0.915  
assign (resid   7 and name   HA)   (resid  10 and name  HB2)   2.915    1.115    1.115  
assign (resid   7 and name   HA)   (resid  10 and name  HB1)   2.915    1.115    1.115  
assign (resid  14 and name   HN)   (resid  14 and name  HG#)   2.940    1.140    1.140  
assign (resid  11 and name   HA)   (resid  14 and name  HB2)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  14 and name  HB1)   3.650    1.850    1.850  
assign (resid  13 and name HG2#)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid  15 and name   HA)   (resid  15 and name  HD#)   3.130    1.330    1.330  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   3.115    1.315    1.315  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.965    1.165    1.165  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   3.585    1.785    1.785  
assign (resid  22 and name  HG#)   (resid  23 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   3.485    1.685    1.685  
assign (resid  17 and name   HN)   (resid  17 and name  HG2)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  17 and name  HG1)   3.650    1.850    1.850  
assign (resid  17 and name  HB#)   (resid  17 and name HE21)   3.590    1.790    1.790  
assign (resid   2 and name   HN)   (resid   2 and name  HD#)   3.650    1.850    1.850  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   3.115    1.315    1.315  
assign (resid   6 and name   HA)   (resid   6 and name HG2#)   2.685    0.885    0.885  
assign (resid   6 and name HG2#)   (resid   6 and name HG12)   3.010    1.210    1.210  
assign (resid   6 and name   HN)   (resid   6 and name HG11)   3.005    1.205    1.205  
assign (resid   6 and name HG2#)   (resid  10 and name  HD1)   3.290    1.490    1.490  
assign (resid   8 and name   HA)   (resid  11 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name HG1#)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid   8 and name   HE)   (resid  12 and name   HA)   2.780    0.980    0.980  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   3.585    1.785    1.785  
assign (resid  24 and name   HA)   (resid  28 and name   HN)   3.405    1.605    1.605  
assign (resid  24 and name   HA)   (resid  27 and name   HN)   3.370    1.570    1.570  
assign (resid  25 and name   HA)   (resid  28 and name   HN)   3.475    1.675    1.675  
assign (resid  34 and name  HB2)   (resid  35 and name   HN)   3.195    1.395    1.395  
assign (resid  27 and name   HN)   (resid  27 and name  HG1)   3.650    1.850    1.850  
assign (resid  28 and name   HA)   (resid  31 and name   HN)   3.250    1.450    1.450  
assign (resid  12 and name   HN)   (resid  12 and name  HG2)   3.560    1.760    1.760  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   2.855    1.055    1.055  
assign (resid   5 and name   HA)   (resid   8 and name  HB#)   2.820    1.020    1.020  
assign (resid  27 and name   HA)   (resid  30 and name   HN)   3.360    1.560    1.560  
assign (resid  17 and name  HB#)   (resid  17 and name HE22)   3.590    1.790    1.790  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.830    1.030    1.030  
assign (resid   1 and name   HA)   (resid   1 and name  HG#)   2.650    0.850    0.850  
assign (resid   1 and name  HG#)   (resid   2 and name   HN)   3.570    1.770    1.770  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   2.830    1.030    1.030  
assign (resid   2 and name  HB#)   (resid   2 and name  HE#)   3.205    1.405    1.405  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   3.040    1.240    1.240  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.690    0.890    0.890  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   3.050    1.250    1.250  
assign (resid   6 and name   HN)   (resid   6 and name HG1#)   2.690    0.890    0.890  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.620    0.820    0.820  
assign (resid   7 and name   HA)   (resid  10 and name  HB#)   2.630    0.830    0.830  
assign (resid   8 and name   HN)   (resid   8 and name  HG#)   3.085    1.285    1.285  
assign (resid   8 and name   HA)   (resid   8 and name  HD#)   3.050    1.250    1.250  
assign (resid   8 and name   HE)   (resid  12 and name  HB#)   2.925    1.125    1.125  
assign (resid   8 and name   HE)   (resid  12 and name  HG#)   2.980    1.180    1.180  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   3.075    1.275    1.275  
assign (resid   9 and name  HB#)   (resid   9 and name HE2#)   3.165    1.365    1.365  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.405    0.605    0.605  
assign (resid  10 and name   HA)   (resid  13 and name  HG*)   3.330    1.530    1.530  
assign (resid  10 and name  HB#)   (resid  10 and name  HE3)   2.745    0.945    0.945  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   2.645    0.845    0.845  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.525    0.725    0.725  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   3.100    1.300    1.300  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.650    0.850    0.850  
assign (resid  12 and name   HA)   (resid  12 and name  HG#)   2.755    0.955    0.955  
assign (resid  12 and name  HB#)   (resid  13 and name  HG*)   3.100    1.300    1.300  
assign (resid  13 and name   HN)   (resid  13 and name  HG*)   2.675    0.875    0.875  
assign (resid  13 and name  HG*)   (resid  14 and name   HN)   3.315    1.515    1.515  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.720    0.920    0.920  
assign (resid  15 and name   HN)   (resid  16 and name  HD#)   3.325    1.525    1.525  
assign (resid  15 and name   HA)   (resid  16 and name  HD#)   2.445    0.645    0.645  
assign (resid  15 and name  HB#)   (resid  15 and name  HD#)   2.725    0.925    0.925  
assign (resid  15 and name  HB#)   (resid  15 and name  HE#)   3.270    1.470    1.470  
assign (resid  16 and name  HB#)   (resid  17 and name HE2#)   3.240    1.440    1.440  
assign (resid  16 and name  HD#)   (resid  17 and name   HN)   3.335    1.535    1.535  
assign (resid  17 and name   HN)   (resid  17 and name  HG#)   3.250    1.450    1.450  
assign (resid  17 and name  HB#)   (resid  17 and name HE2#)   3.180    1.380    1.380  
assign (resid  17 and name  HG#)   (resid  17 and name HE2#)   2.455    0.655    0.655  
assign (resid  18 and name   HN)   (resid  19 and name  HA#)   3.485    1.685    1.685  
assign (resid  20 and name   HN)   (resid  20 and name  HB#)   2.640    0.840    0.840  
assign (resid  21 and name   HN)   (resid  21 and name  HG#)   3.195    1.395    1.395  
assign (resid  21 and name   HA)   (resid  21 and name  HG#)   2.680    0.880    0.880  
assign (resid  23 and name   HN)   (resid  23 and name  HG#)   2.820    1.020    1.020  
assign (resid  23 and name   HA)   (resid  23 and name  HG#)   2.735    0.935    0.935  
assign (resid  23 and name  HG#)   (resid  24 and name   HN)   3.000    1.200    1.200  
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   3.175    1.375    1.375  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   2.730    0.930    0.930  
assign (resid  26 and name   HN)   (resid  26 and name  HG#)   2.870    1.070    1.070  
assign (resid  26 and name  HB#)   (resid  26 and name  HG#)   2.070    0.270    0.270  
assign (resid  26 and name  HB#)   (resid  26 and name HE2#)   2.815    1.015    1.015  
assign (resid  26 and name  HB#)   (resid  27 and name   HN)   2.720    0.920    0.920  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.715    0.915    0.915  
assign (resid  27 and name  HB#)   (resid  27 and name HE2#)   3.080    1.280    1.280  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   2.820    1.020    1.020  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.450    0.650    0.650  
assign (resid  28 and name   HN)   (resid  28 and name  HG#)   2.620    0.820    0.820  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   2.800    1.000    1.000  
assign (resid  29 and name  HB#)   (resid  30 and name   HN)   3.070    1.270    1.270  
assign (resid  30 and name   HN)   (resid  30 and name  HG#)   2.650    0.850    0.850  
assign (resid  30 and name   HA)   (resid  30 and name  HG#)   2.645    0.845    0.845  
assign (resid  30 and name  HB#)   (resid  31 and name   HN)   2.990    1.190    1.190  
assign (resid  31 and name   HN)   (resid  31 and name  HG#)   2.990    1.190    1.190  
assign (resid  32 and name   HN)   (resid  33 and name  HB#)   3.360    1.560    1.560  
assign (resid  32 and name  HG#)   (resid  33 and name   HN)   2.790    0.990    0.990  
assign (resid  33 and name   HN)   (resid  33 and name  HB#)   2.470    0.670    0.670  
assign (resid  33 and name   HA)   (resid  33 and name  HD#)   2.480    0.680    0.680  
assign (resid  34 and name  HB#)   (resid  34 and name  HD#)   2.720    0.920    0.920  
assign (resid  34 and name  HB#)   (resid  34 and name   HE)   3.160    1.360    1.360  
assign (resid  34 and name  HB#)   (resid  35 and name   HN)   2.860    1.060    1.060  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PCA   1           H        PGL   1  -5.580  11.025   3.244
    2    HA   PCA   1           HA       PGL   1  -5.061   8.946   4.628
    3    HB2  PCA   1           HB1      PGL   1  -5.706   9.207   6.797
    4    HB3  PCA   1           HB2      PGL   1  -7.400   9.028   6.266
    5    HG2  PCA   1           HG1      PGL   1  -6.073  11.430   7.165
    6    HG3  PCA   1           HG2      PGL   1  -7.759  11.248   6.570
    7    H    LYS   2           H        LYS   2  -7.621  10.312   2.977
    8    HA   LYS   2           HA       LYS   2  -9.360   8.060   2.942
    9    HB2  LYS   2           HB2      LYS   2  -9.256  10.472   1.126
   10    HB3  LYS   2           HB1      LYS   2 -10.564   9.300   1.208
   11    HG2  LYS   2           HG2      LYS   2 -11.007   9.932   3.526
   12    HG3  LYS   2           HG1      LYS   2  -9.682  11.089   3.468
   13    HD2  LYS   2           HD2      LYS   2 -11.770  12.265   3.176
   14    HD3  LYS   2           HD1      LYS   2 -10.880  12.298   1.659
   15    HE2  LYS   2           HE2      LYS   2 -13.253  11.856   1.291
   16    HE3  LYS   2           HE1      LYS   2 -12.273  10.481   0.792
   17    HZ1  LYS   2           HZ1      LYS   2 -12.868   9.339   2.822
   18    HZ2  LYS   2           HZ2      LYS   2 -14.258   9.826   2.049
   19    HZ3  LYS   2           HZ3      LYS   2 -13.691  10.681   3.399
   20    H    GLU   3           H        GLU   3  -7.029   9.473   0.713
   21    HA   GLU   3           HA       GLU   3  -7.316   7.406  -1.211
   22    HB2  GLU   3           HB2      GLU   3  -5.063   9.386  -0.836
   23    HB3  GLU   3           HB1      GLU   3  -5.206   8.299  -2.208
   24    HG2  GLU   3           HG2      GLU   3  -7.356   9.378  -2.785
   25    HG3  GLU   3           HG1      GLU   3  -7.103  10.515  -1.464
   26    H    THR   4           H        THR   4  -5.455   7.849   1.566
   27    HA   THR   4           HA       THR   4  -3.482   5.884   1.302
   28    HB   THR   4           HB       THR   4  -4.886   6.569   3.850
   29    HG1  THR   4           HG1      THR   4  -2.971   8.294   3.633
   30   HG21  THR   4          HG21      THR   4  -3.118   4.880   3.998
   31   HG22  THR   4          HG22      THR   4  -2.569   6.367   4.775
   32   HG23  THR   4          HG23      THR   4  -1.998   5.950   3.165
   33    H    GLU   5           H        GLU   5  -6.798   5.769   2.513
   34    HA   GLU   5           HA       GLU   5  -6.848   3.071   3.285
   35    HB2  GLU   5           HB2      GLU   5  -8.540   4.619   4.055
   36    HB3  GLU   5           HB1      GLU   5  -9.061   4.926   2.408
   37    HG2  GLU   5           HG2      GLU   5  -9.878   2.657   2.210
   38    HG3  GLU   5           HG1      GLU   5  -9.276   2.283   3.823
   39    H    ILE   6           H        ILE   6  -7.862   4.662   0.295
   40    HA   ILE   6           HA       ILE   6  -8.796   2.419  -1.128
   41    HB   ILE   6           HB       ILE   6  -7.339   4.783  -2.337
   42   HG12  ILE   6          HG12      ILE   6 -10.289   4.530  -1.757
   43   HG13  ILE   6          HG11      ILE   6  -9.165   5.458  -0.768
   44   HG21  ILE   6          HG21      ILE   6  -8.762   4.331  -4.297
   45   HG22  ILE   6          HG22      ILE   6  -9.452   2.937  -3.467
   46   HG23  ILE   6          HG23      ILE   6  -7.742   2.947  -3.897
   47   HD11  ILE   6          HD11      ILE   6  -8.646   6.835  -2.711
   48   HD12  ILE   6          HD12      ILE   6 -10.352   6.927  -2.247
   49   HD13  ILE   6          HD13      ILE   6  -9.858   5.957  -3.645
   50    H    CYS   7           H        CYS   7  -5.685   4.009  -1.213
   51    HA   CYS   7           HA       CYS   7  -4.265   2.441  -2.960
   52    HB2  CYS   7           HB2      CYS   7  -3.537   4.600  -2.012
   53    HB3  CYS   7           HB1      CYS   7  -3.236   3.810  -0.474
   54    H    ARG   8           H        ARG   8  -4.614   1.929   0.561
   55    HA   ARG   8           HA       ARG   8  -3.027  -0.461   0.412
   56    HB2  ARG   8           HB2      ARG   8  -2.957   0.966   2.446
   57    HB3  ARG   8           HB1      ARG   8  -4.647   0.612   2.745
   58    HG2  ARG   8           HG2      ARG   8  -2.612  -1.602   2.641
   59    HG3  ARG   8           HG1      ARG   8  -2.825  -0.644   4.100
   60    HD2  ARG   8           HD2      ARG   8  -5.180  -1.335   4.220
   61    HD3  ARG   8           HD1      ARG   8  -5.007  -2.206   2.703
   62    HE   ARG   8           HE       ARG   8  -3.716  -3.816   3.761
   63   HH11  ARG   8          HH11      ARG   8  -4.889  -1.384   6.076
   64   HH12  ARG   8          HH12      ARG   8  -4.659  -2.350   7.444
   65   HH21  ARG   8          HH21      ARG   8  -3.363  -5.162   5.717
   66   HH22  ARG   8          HH22      ARG   8  -3.780  -4.534   7.230
   67    H    GLN   9           H        GLN   9  -6.461   0.309   0.568
   68    HA   GLN   9           HA       GLN   9  -7.280  -2.306   1.112
   69    HB2  GLN   9           HB2      GLN   9  -8.734  -0.382   1.539
   70    HB3  GLN   9           HB1      GLN   9  -8.871  -0.090  -0.186
   71    HG2  GLN   9           HG2      GLN   9 -10.108  -2.100  -0.507
   72    HG3  GLN   9           HG1      GLN   9  -9.779  -2.632   1.141
   73   HE21  GLN   9          1HE2      GLN   9 -10.904  -1.737   2.819
   74   HE22  GLN   9          2HE2      GLN   9 -12.314  -0.780   2.619
   75    H    TRP  10           H        TRP  10  -6.528  -0.715  -1.905
   76    HA   TRP  10           HA       TRP  10  -7.522  -2.610  -3.701
   77    HB2  TRP  10           HB2      TRP  10  -6.422  -0.471  -4.394
   78    HB3  TRP  10           HB1      TRP  10  -4.871  -1.128  -3.880
   79    HD1  TRP  10           HD       TRP  10  -7.433  -1.352  -6.670
   80    HE1  TRP  10           HE1      TRP  10  -6.439  -2.673  -8.638
   81    HE3  TRP  10          3HE       TRP  10  -3.118  -2.972  -4.483
   82    HZ2  TRP  10           HZ2      TRP  10  -4.127  -4.183  -9.199
   83    HZ3  TRP  10           HZ3      TRP  10  -1.572  -4.352  -5.802
   84    HH2  TRP  10           HH       TRP  10  -2.065  -4.943  -8.104
   85    H    CYS  11           H        CYS  11  -4.383  -2.450  -2.107
   86    HA   CYS  11           HA       CYS  11  -3.484  -4.979  -2.933
   87    HB2  CYS  11           HB2      CYS  11  -2.635  -3.098  -0.772
   88    HB3  CYS  11           HB1      CYS  11  -1.898  -4.688  -0.931
   89    H    GLN  12           H        GLN  12  -5.440  -3.972  -0.255
   90    HA   GLN  12           HA       GLN  12  -5.192  -6.303   1.304
   91    HB2  GLN  12           HB2      GLN  12  -6.060  -4.179   2.176
   92    HB3  GLN  12           HB1      GLN  12  -7.443  -4.309   1.105
   93    HG2  GLN  12           HG2      GLN  12  -7.951  -4.836   3.446
   94    HG3  GLN  12           HG1      GLN  12  -8.306  -6.164   2.341
   95   HE21  GLN  12          1HE2      GLN  12  -7.139  -8.026   2.516
   96   HE22  GLN  12          2HE2      GLN  12  -6.137  -8.397   3.876
   97    H    VAL  13           H        VAL  13  -7.147  -5.471  -1.461
   98    HA   VAL  13           HA       VAL  13  -8.701  -7.901  -1.295
   99    HB   VAL  13           HB       VAL  13  -8.605  -5.754  -3.446
  100   HG11  VAL  13          HG11      VAL  13 -10.550  -8.049  -3.143
  101   HG12  VAL  13          HG12      VAL  13  -9.310  -7.913  -4.387
  102   HG13  VAL  13          3HG1      VAL  13 -10.646  -6.762  -4.346
  103   HG21  VAL  13          HG21      VAL  13 -10.794  -5.099  -2.554
  104   HG22  VAL  13          HG22      VAL  13  -9.516  -4.947  -1.347
  105   HG23  VAL  13          HG23      VAL  13 -10.633  -6.311  -1.284
  106    H    MET  14           H        MET  14  -6.163  -6.538  -3.361
  107    HA   MET  14           HA       MET  14  -6.105  -8.796  -5.083
  108    HB2  MET  14           HB2      MET  14  -5.379  -6.472  -5.712
  109    HB3  MET  14           HB1      MET  14  -3.920  -6.743  -4.769
  110    HG2  MET  14           HG2      MET  14  -3.502  -7.132  -7.124
  111    HG3  MET  14           HG1      MET  14  -3.341  -8.635  -6.210
  112    HE1  MET  14           HE1      MET  14  -3.670  -8.546  -9.401
  113    HE2  MET  14           HE2      MET  14  -4.830  -9.850  -9.650
  114    HE3  MET  14          3HE       MET  14  -3.520 -10.048  -8.487
  115    H    LYS  15           H        LYS  15  -4.086  -7.856  -2.308
  116    HA   LYS  15           HA       LYS  15  -3.110 -10.593  -2.189
  117    HB2  LYS  15           HB2      LYS  15  -1.349  -8.127  -2.040
  118    HB3  LYS  15           HB1      LYS  15  -0.839  -9.730  -1.536
  119    HG2  LYS  15           HG2      LYS  15  -1.684  -8.982  -4.334
  120    HG3  LYS  15           HG1      LYS  15  -0.015  -9.124  -3.776
  121    HD2  LYS  15           HD2      LYS  15  -0.346 -11.481  -3.290
  122    HD3  LYS  15           HD1      LYS  15  -2.050 -11.357  -3.718
  123    HE2  LYS  15           HE2      LYS  15  -1.439 -10.796  -6.007
  124    HE3  LYS  15           HE1      LYS  15   0.269 -10.911  -5.588
  125    HZ1  LYS  15           HZ1      LYS  15  -1.679 -13.140  -5.383
  126    HZ2  LYS  15           HZ2      LYS  15  -0.026 -13.236  -5.093
  127    HZ3  LYS  15           HZ3      LYS  15  -0.590 -12.933  -6.645
  128    HA   PRO  16           HA       PRO  16  -4.761  -9.097   1.777
  129    HB2  PRO  16           HB2      PRO  16  -5.872 -11.746   2.103
  130    HB3  PRO  16           HB1      PRO  16  -6.721 -10.213   1.892
  131    HG2  PRO  16           HG2      PRO  16  -6.710 -12.191   0.006
  132    HG3  PRO  16           HG1      PRO  16  -6.890 -10.472  -0.381
  133    HD2  PRO  16           HD2      PRO  16  -4.461 -12.204  -0.545
  134    HD3  PRO  16           HD1      PRO  16  -5.057 -10.965  -1.675
  135    H    GLN  17           H        GLN  17  -3.283  -9.036   3.277
  136    HA   GLN  17           HA       GLN  17  -1.690  -9.548   4.767
  137    HB2  GLN  17           HB2      GLN  17  -3.701 -11.726   5.210
  138    HB3  GLN  17           HB1      GLN  17  -2.278 -11.595   6.225
  139    HG2  GLN  17           HG2      GLN  17  -4.305 -10.584   7.222
  140    HG3  GLN  17           HG1      GLN  17  -2.984  -9.442   7.028
  141   HE21  GLN  17          1HE2      GLN  17  -3.218  -7.761   5.622
  142   HE22  GLN  17          2HE2      GLN  17  -4.737  -7.292   4.943
  143    H    GLY  18           H        GLY  18  -0.124  -9.860   3.167
  144    HA2  GLY  18           HA2      GLY  18   0.748 -12.670   2.924
  145    HA3  GLY  18           HA1      GLY  18   1.136 -11.414   1.755
  146    H    GLY  19           H        GLY  19   3.302 -11.580   1.888
  147    HA2  GLY  19           HA2      GLY  19   4.460 -10.604   4.422
  148    HA3  GLY  19           HA1      GLY  19   5.241 -11.872   3.473
  149    H    GLU  20           H        GLU  20   5.923 -11.394   1.360
  150    HA   GLU  20           HA       GLU  20   7.239  -8.926   1.067
  151    HB2  GLU  20           HB2      GLU  20   8.013 -11.051   0.057
  152    HB3  GLU  20           HB1      GLU  20   6.608 -11.059  -0.993
  153    HG2  GLU  20           HG2      GLU  20   8.669 -10.351  -2.125
  154    HG3  GLU  20           HG1      GLU  20   7.412  -9.116  -2.154
  155    H    GLU  21           H        GLU  21   4.171 -10.157   0.107
  156    HA   GLU  21           HA       GLU  21   3.302  -8.378  -1.795
  157    HB2  GLU  21           HB2      GLU  21   1.758  -9.675   0.457
  158    HB3  GLU  21           HB1      GLU  21   1.013  -8.828  -0.881
  159    HG2  GLU  21           HG2      GLU  21   0.872 -11.212  -1.228
  160    HG3  GLU  21           HG1      GLU  21   1.932 -10.495  -2.432
  161    H    GLN  22           H        GLN  22   3.328  -8.121   1.721
  162    HA   GLN  22           HA       GLN  22   1.898  -5.659   1.871
  163    HB2  GLN  22           HB2      GLN  22   3.773  -6.872   3.902
  164    HB3  GLN  22           HB1      GLN  22   2.580  -5.617   4.201
  165    HG2  GLN  22           HG2      GLN  22   2.005  -8.456   3.396
  166    HG3  GLN  22           HG1      GLN  22   1.846  -7.769   5.009
  167   HE21  GLN  22          1HE2      GLN  22   0.673  -5.244   4.110
  168   HE22  GLN  22          2HE2      GLN  22  -0.914  -5.623   3.603
  169    H    ARG  23           H        ARG  23   5.258  -6.623   1.986
  170    HA   ARG  23           HA       ARG  23   6.484  -4.178   2.561
  171    HB2  ARG  23           HB2      ARG  23   7.553  -6.346   0.754
  172    HB3  ARG  23           HB1      ARG  23   8.498  -5.119   1.581
  173    HG2  ARG  23           HG2      ARG  23   7.909  -6.078   3.724
  174    HG3  ARG  23           HG1      ARG  23   6.895  -7.278   2.922
  175    HD2  ARG  23           HD2      ARG  23   8.943  -8.038   1.681
  176    HD3  ARG  23           HD1      ARG  23   9.875  -6.960   2.710
  177    HE   ARG  23           HE       ARG  23   8.614  -8.336   4.536
  178   HH11  ARG  23          HH11      ARG  23  10.102  -9.572   1.561
  179   HH12  ARG  23          HH12      ARG  23  10.615 -11.036   2.261
  180   HH21  ARG  23          HH21      ARG  23   9.283 -10.385   5.476
  181   HH22  ARG  23          HH22      ARG  23  10.139 -11.510   4.525
  182    H    ARG  24           H        ARG  24   5.914  -5.680  -0.595
  183    HA   ARG  24           HA       ARG  24   6.835  -3.524  -2.148
  184    HB2  ARG  24           HB2      ARG  24   4.770  -5.584  -2.874
  185    HB3  ARG  24           HB1      ARG  24   5.610  -4.538  -4.007
  186    HG2  ARG  24           HG2      ARG  24   7.730  -5.582  -3.357
  187    HG3  ARG  24           HG1      ARG  24   6.843  -6.659  -2.278
  188    HD2  ARG  24           HD2      ARG  24   6.567  -6.465  -5.267
  189    HD3  ARG  24           HD1      ARG  24   7.294  -7.784  -4.351
  190    HE   ARG  24           HE       ARG  24   4.507  -7.173  -3.793
  191   HH11  ARG  24          HH11      ARG  24   6.782  -9.195  -5.559
  192   HH12  ARG  24          HH12      ARG  24   5.695 -10.489  -5.770
  193   HH21  ARG  24          HH21      ARG  24   2.992  -8.846  -4.134
  194   HH22  ARG  24          HH22      ARG  24   3.432 -10.286  -4.927
  195    H    CYS  25           H        CYS  25   3.526  -4.459  -1.241
  196    HA   CYS  25           HA       CYS  25   2.261  -2.378  -2.553
  197    HB2  CYS  25           HB2      CYS  25   1.461  -4.171  -0.335
  198    HB3  CYS  25           HB1      CYS  25   0.460  -2.766  -0.690
  199    H    GLN  26           H        GLN  26   3.370  -2.462   0.821
  200    HA   GLN  26           HA       GLN  26   2.302   0.081   1.389
  201    HB2  GLN  26           HB2      GLN  26   4.428  -1.553   2.767
  202    HB3  GLN  26           HB1      GLN  26   3.855  -0.013   3.388
  203    HG2  GLN  26           HG2      GLN  26   1.590  -0.919   3.564
  204    HG3  GLN  26           HG1      GLN  26   2.151  -2.454   2.911
  205   HE21  GLN  26          1HE2      GLN  26   2.207  -0.322   5.629
  206   HE22  GLN  26          2HE2      GLN  26   2.766  -1.461   6.791
  207    H    GLN  27           H        GLN  27   5.490  -0.985   0.330
  208    HA   GLN  27           HA       GLN  27   6.769   1.511   0.501
  209    HB2  GLN  27           HB2      GLN  27   7.935  -0.655   0.227
  210    HB3  GLN  27           HB1      GLN  27   7.317  -0.757  -1.415
  211    HG2  GLN  27           HG2      GLN  27   8.506   1.334  -1.943
  212    HG3  GLN  27           HG1      GLN  27   9.199   1.305  -0.327
  213   HE21  GLN  27          1HE2      GLN  27  10.473   1.181  -2.919
  214   HE22  GLN  27          2HE2      GLN  27  11.421  -0.267  -2.916
  215    H    GLU  28           H        GLU  28   5.234  -0.127  -2.310
  216    HA   GLU  28           HA       GLU  28   5.577   1.851  -4.193
  217    HB2  GLU  28           HB2      GLU  28   4.854  -0.681  -4.160
  218    HB3  GLU  28           HB1      GLU  28   3.243  -0.007  -4.076
  219    HG2  GLU  28           HG2      GLU  28   5.175   0.793  -6.149
  220    HG3  GLU  28           HG1      GLU  28   4.242  -0.696  -6.303
  221    H    CYS  29           H        CYS  29   3.036   1.269  -1.803
  222    HA   CYS  29           HA       CYS  29   1.231   3.227  -2.714
  223    HB2  CYS  29           HB2      CYS  29   0.649   1.377  -1.131
  224    HB3  CYS  29           HB1      CYS  29   1.566   2.211   0.116
  225    H    GLU  30           H        GLU  30   3.697   3.311  -0.104
  226    HA   GLU  30           HA       GLU  30   3.258   6.002   0.543
  227    HB2  GLU  30           HB2      GLU  30   5.634   4.215   0.999
  228    HB3  GLU  30           HB1      GLU  30   5.525   5.851   1.632
  229    HG2  GLU  30           HG2      GLU  30   3.460   5.189   2.837
  230    HG3  GLU  30           HG1      GLU  30   3.711   3.537   2.274
  231    H    GLU  31           H        GLU  31   5.167   4.497  -1.895
  232    HA   GLU  31           HA       GLU  31   6.838   6.651  -2.590
  233    HB2  GLU  31           HB2      GLU  31   7.154   4.297  -3.279
  234    HB3  GLU  31           HB1      GLU  31   5.730   4.414  -4.284
  235    HG2  GLU  31           HG2      GLU  31   6.841   6.032  -5.706
  236    HG3  GLU  31           HG1      GLU  31   8.267   5.981  -4.664
  237    H    ARG  32           H        ARG  32   3.583   5.740  -3.538
  238    HA   ARG  32           HA       ARG  32   3.267   7.838  -5.513
  239    HB2  ARG  32           HB2      ARG  32   1.117   6.330  -4.048
  240    HB3  ARG  32           HB1      ARG  32   0.937   7.234  -5.530
  241    HG2  ARG  32           HG2      ARG  32   2.222   5.547  -6.713
  242    HG3  ARG  32           HG1      ARG  32   2.463   4.662  -5.194
  243    HD2  ARG  32           HD2      ARG  32  -0.007   4.554  -4.938
  244    HD3  ARG  32           HD1      ARG  32  -0.166   5.269  -6.537
  245    HE   ARG  32           HE       ARG  32   1.435   2.930  -6.538
  246   HH11  ARG  32          HH11      ARG  32  -1.959   4.056  -6.510
  247   HH12  ARG  32          HH12      ARG  32  -2.573   2.616  -7.171
  248   HH21  ARG  32          HH21      ARG  32   0.552   1.005  -7.369
  249   HH22  ARG  32          HH22      ARG  32  -1.118   0.829  -7.737
  250    H    LEU  33           H        LEU  33   1.994   7.112  -2.346
  251    HA   LEU  33           HA       LEU  33   0.287   9.365  -2.138
  252    HB2  LEU  33           HB2      LEU  33  -0.176   7.170  -1.253
  253    HB3  LEU  33           HB1      LEU  33   1.180   7.308  -0.164
  254    HG   LEU  33           HG       LEU  33  -0.007   9.226   0.914
  255   HD11  LEU  33          HD11      LEU  33  -1.530   9.779  -0.911
  256   HD12  LEU  33          HD12      LEU  33  -2.422   9.393   0.560
  257   HD13  LEU  33          HD13      LEU  33  -2.316   8.210  -0.743
  258   HD21  LEU  33          HD21      LEU  33   0.075   7.016   1.870
  259   HD22  LEU  33          HD22      LEU  33  -1.317   6.530   0.902
  260   HD23  LEU  33          HD23      LEU  33  -1.498   7.760   2.155
  261    H    ARG  34           H        ARG  34   3.321   8.454  -0.544
  262    HA   ARG  34           HA       ARG  34   4.674   9.417   0.914
  263    HB2  ARG  34           HB2      ARG  34   3.695  12.037  -0.274
  264    HB3  ARG  34           HB1      ARG  34   5.107  11.861   0.757
  265    HG2  ARG  34           HG2      ARG  34   4.751  10.606  -1.957
  266    HG3  ARG  34           HG1      ARG  34   5.722  12.036  -1.599
  267    HD2  ARG  34           HD2      ARG  34   7.205  10.735  -0.210
  268    HD3  ARG  34           HD1      ARG  34   6.179   9.312  -0.376
  269    HE   ARG  34           HE       ARG  34   7.002  10.280  -2.883
  270   HH11  ARG  34          HH11      ARG  34   8.188   8.442  -0.098
  271   HH12  ARG  34          HH12      ARG  34   9.301   7.524  -0.983
  272   HH21  ARG  34          HH21      ARG  34   8.495   8.980  -4.118
  273   HH22  ARG  34          HH22      ARG  34   9.468   7.825  -3.325
  274    H    ASP  35           H        ASP  35   3.743   8.650   2.661
  275    HA   ASP  35           HA       ASP  35   1.991  10.482   4.134
  276    HB2  ASP  35           HB2      ASP  35   0.750   8.468   3.459
  277    HB3  ASP  35           HB1      ASP  35   1.995   7.451   4.176
  Start of MODEL    2
    1    H    PCA   1           H        PGL   1  -5.277   9.853   5.370
    2    HA   PCA   1           HA       PGL   1  -4.606  10.485   3.000
    3    HB2  PCA   1           HB1      PGL   1  -2.405  10.038   2.620
    4    HB3  PCA   1           HB2      PGL   1  -2.829   8.307   2.549
    5    HG2  PCA   1           HG1      PGL   1  -1.335   9.630   4.602
    6    HG3  PCA   1           HG2      PGL   1  -1.951   7.942   4.611
    7    H    LYS   2           H        LYS   2  -6.648   9.812   2.537
    8    HA   LYS   2           HA       LYS   2  -7.210   7.049   2.647
    9    HB2  LYS   2           HB2      LYS   2  -8.921   9.417   2.066
   10    HB3  LYS   2           HB1      LYS   2  -9.496   7.783   1.754
   11    HG2  LYS   2           HG2      LYS   2  -9.049   7.183   4.081
   12    HG3  LYS   2           HG1      LYS   2  -8.506   8.828   4.394
   13    HD2  LYS   2           HD2      LYS   2 -10.711   9.681   3.933
   14    HD3  LYS   2           HD1      LYS   2 -11.265   8.076   3.446
   15    HE2  LYS   2           HE2      LYS   2 -10.205   8.734   6.187
   16    HE3  LYS   2           HE1      LYS   2 -11.915   8.742   5.783
   17    HZ1  LYS   2           HZ1      LYS   2 -10.160   6.329   5.508
   18    HZ2  LYS   2           HZ2      LYS   2 -11.827   6.402   5.324
   19    HZ3  LYS   2           HZ3      LYS   2 -11.141   6.657   6.827
   20    H    GLU   3           H        GLU   3  -5.962   9.012   0.223
   21    HA   GLU   3           HA       GLU   3  -6.863   7.390  -1.966
   22    HB2  GLU   3           HB2      GLU   3  -4.306   8.992  -1.731
   23    HB3  GLU   3           HB1      GLU   3  -4.924   8.305  -3.223
   24    HG2  GLU   3           HG2      GLU   3  -6.189  10.494  -1.590
   25    HG3  GLU   3           HG1      GLU   3  -5.356  10.675  -3.126
   26    H    THR   4           H        THR   4  -4.244   7.416   0.167
   27    HA   THR   4           HA       THR   4  -2.780   5.186  -0.746
   28    HB   THR   4           HB       THR   4  -2.973   6.185   2.060
   29    HG1  THR   4           HG1      THR   4  -1.711   7.351  -0.233
   30   HG21  THR   4          HG21      THR   4  -1.515   4.248   1.657
   31   HG22  THR   4          HG22      THR   4  -0.567   5.668   2.094
   32   HG23  THR   4          HG23      THR   4  -0.656   5.151   0.410
   33    H    GLU   5           H        GLU   5  -5.408   5.683   1.500
   34    HA   GLU   5           HA       GLU   5  -5.648   3.152   2.648
   35    HB2  GLU   5           HB2      GLU   5  -6.803   5.180   3.419
   36    HB3  GLU   5           HB1      GLU   5  -7.787   5.164   1.966
   37    HG2  GLU   5           HG2      GLU   5  -8.785   3.055   2.701
   38    HG3  GLU   5           HG1      GLU   5  -7.811   3.130   4.174
   39    H    ILE   6           H        ILE   6  -7.107   4.519  -0.292
   40    HA   ILE   6           HA       ILE   6  -8.547   2.268  -1.186
   41    HB   ILE   6           HB       ILE   6  -7.147   4.403  -2.822
   42   HG12  ILE   6          HG12      ILE   6 -10.036   4.291  -1.956
   43   HG13  ILE   6          HG11      ILE   6  -8.799   5.282  -1.187
   44   HG21  ILE   6          HG21      ILE   6  -9.338   2.489  -3.622
   45   HG22  ILE   6          HG22      ILE   6  -7.683   2.535  -4.234
   46   HG23  ILE   6          HG23      ILE   6  -8.789   3.862  -4.579
   47   HD11  ILE   6          HD11      ILE   6  -8.447   6.461  -3.252
   48   HD12  ILE   6          HD12      ILE   6 -10.140   6.588  -2.745
   49   HD13  ILE   6          HD13      ILE   6  -9.674   5.484  -4.051
   50    H    CYS   7           H        CYS   7  -5.407   3.486  -2.171
   51    HA   CYS   7           HA       CYS   7  -4.386   1.463  -3.734
   52    HB2  CYS   7           HB2      CYS   7  -3.148   3.467  -3.538
   53    HB3  CYS   7           HB1      CYS   7  -3.101   3.359  -1.788
   54    H    ARG   8           H        ARG   8  -4.099   1.603  -0.176
   55    HA   ARG   8           HA       ARG   8  -2.834  -0.899  -0.012
   56    HB2  ARG   8           HB2      ARG   8  -2.615   0.722   1.825
   57    HB3  ARG   8           HB1      ARG   8  -4.337   0.629   2.143
   58    HG2  ARG   8           HG2      ARG   8  -2.645  -1.844   2.355
   59    HG3  ARG   8           HG1      ARG   8  -2.655  -0.670   3.667
   60    HD2  ARG   8           HD2      ARG   8  -4.934  -1.021   4.110
   61    HD3  ARG   8           HD1      ARG   8  -5.214  -1.784   2.546
   62    HE   ARG   8           HE       ARG   8  -3.582  -3.520   3.579
   63   HH11  ARG   8          HH11      ARG   8  -6.198  -1.843   5.290
   64   HH12  ARG   8          HH12      ARG   8  -6.632  -3.179   6.241
   65   HH21  ARG   8          HH21      ARG   8  -4.173  -5.376   4.905
   66   HH22  ARG   8          HH22      ARG   8  -5.443  -5.223   6.032
   67    H    GLN   9           H        GLN   9  -6.247   0.041   0.260
   68    HA   GLN   9           HA       GLN   9  -7.188  -2.505   0.981
   69    HB2  GLN   9           HB2      GLN   9  -8.479  -0.377   1.189
   70    HB3  GLN   9           HB1      GLN   9  -8.672  -0.360  -0.554
   71    HG2  GLN   9           HG2      GLN   9  -9.980  -2.380  -0.474
   72    HG3  GLN   9           HG1      GLN   9  -9.691  -2.536   1.258
   73   HE21  GLN   9          1HE2      GLN   9 -10.741  -1.145   2.670
   74   HE22  GLN   9          2HE2      GLN   9 -12.107  -0.211   2.183
   75    H    TRP  10           H        TRP  10  -6.459  -1.093  -2.111
   76    HA   TRP  10           HA       TRP  10  -7.450  -3.154  -3.718
   77    HB2  TRP  10           HB2      TRP  10  -5.566  -0.935  -4.054
   78    HB3  TRP  10           HB1      TRP  10  -5.331  -2.237  -5.200
   79    HD1  TRP  10           HD       TRP  10  -7.842   0.438  -4.160
   80    HE1  TRP  10           HE1      TRP  10  -9.617   0.669  -6.019
   81    HE3  TRP  10          3HE       TRP  10  -6.487  -3.520  -7.073
   82    HZ2  TRP  10           HZ2      TRP  10 -10.339  -0.660  -8.385
   83    HZ3  TRP  10           HZ3      TRP  10  -7.776  -3.969  -9.116
   84    HH2  TRP  10           HH       TRP  10  -9.657  -2.571  -9.756
   85    H    CYS  11           H        CYS  11  -4.130  -2.702  -2.530
   86    HA   CYS  11           HA       CYS  11  -3.233  -5.228  -3.418
   87    HB2  CYS  11           HB2      CYS  11  -2.186  -3.199  -1.504
   88    HB3  CYS  11           HB1      CYS  11  -1.455  -4.798  -1.529
   89    H    GLN  12           H        GLN  12  -4.817  -4.227  -0.516
   90    HA   GLN  12           HA       GLN  12  -4.485  -6.348   1.190
   91    HB2  GLN  12           HB2      GLN  12  -5.615  -4.310   1.777
   92    HB3  GLN  12           HB1      GLN  12  -6.877  -4.632   0.604
   93    HG2  GLN  12           HG2      GLN  12  -7.534  -6.605   1.945
   94    HG3  GLN  12           HG1      GLN  12  -6.355  -6.107   3.164
   95   HE21  GLN  12          1HE2      GLN  12  -9.283  -6.287   3.238
   96   HE22  GLN  12          2HE2      GLN  12  -9.826  -4.731   3.724
   97    H    VAL  13           H        VAL  13  -6.866  -5.882  -1.394
   98    HA   VAL  13           HA       VAL  13  -7.982  -8.523  -1.017
   99    HB   VAL  13           HB       VAL  13  -8.637  -6.410  -3.092
  100   HG11  VAL  13          HG11      VAL  13  -9.283  -8.635  -3.861
  101   HG12  VAL  13          HG12      VAL  13 -10.707  -7.670  -3.470
  102   HG13  VAL  13          3HG1      VAL  13 -10.152  -8.914  -2.351
  103   HG21  VAL  13          HG21      VAL  13  -9.999  -7.119  -0.497
  104   HG22  VAL  13          HG22      VAL  13 -10.634  -6.008  -1.706
  105   HG23  VAL  13          HG23      VAL  13  -9.133  -5.625  -0.862
  106    H    MET  14           H        MET  14  -6.174  -6.800  -3.522
  107    HA   MET  14           HA       MET  14  -6.247  -8.825  -5.475
  108    HB2  MET  14           HB2      MET  14  -5.873  -6.474  -6.004
  109    HB3  MET  14           HB1      MET  14  -4.339  -6.507  -5.155
  110    HG2  MET  14           HG2      MET  14  -4.025  -6.580  -7.564
  111    HG3  MET  14           HG1      MET  14  -3.449  -8.064  -6.808
  112    HE1  MET  14           HE1      MET  14  -4.022  -7.722  -9.951
  113    HE2  MET  14           HE2      MET  14  -4.790  -9.274 -10.291
  114    HE3  MET  14          3HE       MET  14  -3.398  -9.195  -9.212
  115    H    LYS  15           H        LYS  15  -4.069  -8.387  -2.770
  116    HA   LYS  15           HA       LYS  15  -2.374 -10.484  -3.908
  117    HB2  LYS  15           HB2      LYS  15  -1.654  -8.235  -2.040
  118    HB3  LYS  15           HB1      LYS  15  -0.574  -9.577  -2.391
  119    HG2  LYS  15           HG2      LYS  15  -1.678  -7.665  -4.442
  120    HG3  LYS  15           HG1      LYS  15  -0.064  -7.576  -3.725
  121    HD2  LYS  15           HD2      LYS  15   0.461  -9.798  -4.628
  122    HD3  LYS  15           HD1      LYS  15  -1.158  -9.907  -5.287
  123    HE2  LYS  15           HE2      LYS  15  -0.745  -8.117  -6.798
  124    HE3  LYS  15           HE1      LYS  15   0.833  -7.799  -6.065
  125    HZ1  LYS  15           HZ1      LYS  15   1.595  -9.902  -6.771
  126    HZ2  LYS  15           HZ2      LYS  15   0.988  -9.133  -8.132
  127    HZ3  LYS  15           HZ3      LYS  15   0.097 -10.362  -7.375
  128    HA   PRO  16           HA       PRO  16  -3.638 -12.695  -0.219
  129    HB2  PRO  16           HB2      PRO  16  -4.534 -14.897  -1.481
  130    HB3  PRO  16           HB1      PRO  16  -5.506 -13.432  -1.323
  131    HG2  PRO  16           HG2      PRO  16  -4.310 -14.583  -3.725
  132    HG3  PRO  16           HG1      PRO  16  -5.495 -13.275  -3.595
  133    HD2  PRO  16           HD2      PRO  16  -2.572 -13.118  -3.922
  134    HD3  PRO  16           HD1      PRO  16  -3.810 -11.866  -4.183
  135    H    GLN  17           H        GLN  17  -2.300 -13.921   0.938
  136    HA   GLN  17           HA       GLN  17  -0.978 -15.587   1.697
  137    HB2  GLN  17           HB2      GLN  17  -1.187 -16.746  -1.057
  138    HB3  GLN  17           HB1      GLN  17  -0.585 -17.601   0.358
  139    HG2  GLN  17           HG2      GLN  17  -2.767 -17.452   1.399
  140    HG3  GLN  17           HG1      GLN  17  -3.359 -16.478   0.057
  141   HE21  GLN  17          1HE2      GLN  17  -1.951 -18.153  -1.946
  142   HE22  GLN  17          2HE2      GLN  17  -2.877 -19.598  -2.037
  143    H    GLY  18           H        GLY  18   0.139 -13.724  -0.927
  144    HA2  GLY  18           HA2      GLY  18   2.844 -14.800  -0.760
  145    HA3  GLY  18           HA1      GLY  18   2.276 -13.544  -1.857
  146    H    GLY  19           H        GLY  19   3.923 -14.199   1.022
  147    HA2  GLY  19           HA2      GLY  19   3.463 -11.848   2.508
  148    HA3  GLY  19           HA1      GLY  19   4.888 -12.868   2.644
  149    H    GLU  20           H        GLU  20   5.677 -12.519  -0.067
  150    HA   GLU  20           HA       GLU  20   7.325 -10.242   0.117
  151    HB2  GLU  20           HB2      GLU  20   6.536 -11.784  -2.373
  152    HB3  GLU  20           HB1      GLU  20   7.872 -10.658  -2.258
  153    HG2  GLU  20           HG2      GLU  20   8.681 -12.931  -2.226
  154    HG3  GLU  20           HG1      GLU  20   8.985 -12.168  -0.667
  155    H    GLU  21           H        GLU  21   4.391 -10.932  -1.620
  156    HA   GLU  21           HA       GLU  21   4.115  -8.510  -3.020
  157    HB2  GLU  21           HB2      GLU  21   1.921 -10.328  -2.045
  158    HB3  GLU  21           HB1      GLU  21   1.838  -9.178  -3.371
  159    HG2  GLU  21           HG2      GLU  21   3.528 -11.672  -3.290
  160    HG3  GLU  21           HG1      GLU  21   2.019 -11.473  -4.175
  161    H    GLN  22           H        GLN  22   2.998  -9.641   0.105
  162    HA   GLN  22           HA       GLN  22   1.330  -7.543   0.866
  163    HB2  GLN  22           HB2      GLN  22   3.125  -9.237   2.604
  164    HB3  GLN  22           HB1      GLN  22   1.859  -8.187   3.209
  165    HG2  GLN  22           HG2      GLN  22   1.504 -10.611   1.464
  166    HG3  GLN  22           HG1      GLN  22   1.114 -10.474   3.179
  167   HE21  GLN  22          1HE2      GLN  22  -0.636  -9.236   3.791
  168   HE22  GLN  22          2HE2      GLN  22  -1.884  -8.815   2.674
  169    H    ARG  23           H        ARG  23   4.759  -8.007   1.680
  170    HA   ARG  23           HA       ARG  23   5.024  -5.505   2.893
  171    HB2  ARG  23           HB2      ARG  23   6.501  -7.380   3.411
  172    HB3  ARG  23           HB1      ARG  23   7.132  -7.353   1.769
  173    HG2  ARG  23           HG2      ARG  23   8.009  -5.136   2.126
  174    HG3  ARG  23           HG1      ARG  23   7.361  -5.137   3.767
  175    HD2  ARG  23           HD2      ARG  23   8.825  -6.957   4.384
  176    HD3  ARG  23           HD1      ARG  23   9.412  -7.096   2.725
  177    HE   ARG  23           HE       ARG  23   9.725  -4.501   3.877
  178   HH11  ARG  23          HH11      ARG  23  11.261  -7.687   3.666
  179   HH12  ARG  23          HH12      ARG  23  12.842  -7.067   3.739
  180   HH21  ARG  23          HH21      ARG  23  11.935  -3.670   3.981
  181   HH22  ARG  23          HH22      ARG  23  13.236  -4.779   3.907
  182    H    ARG  24           H        ARG  24   5.646  -6.657  -0.412
  183    HA   ARG  24           HA       ARG  24   7.009  -4.435  -1.388
  184    HB2  ARG  24           HB2      ARG  24   6.544  -6.643  -2.599
  185    HB3  ARG  24           HB1      ARG  24   4.985  -5.948  -3.017
  186    HG2  ARG  24           HG2      ARG  24   6.263  -3.984  -3.985
  187    HG3  ARG  24           HG1      ARG  24   7.707  -4.984  -3.842
  188    HD2  ARG  24           HD2      ARG  24   6.922  -5.253  -6.036
  189    HD3  ARG  24           HD1      ARG  24   6.468  -6.721  -5.176
  190    HE   ARG  24           HE       ARG  24   4.607  -4.491  -5.492
  191   HH11  ARG  24          HH11      ARG  24   5.339  -7.940  -5.822
  192   HH12  ARG  24          HH12      ARG  24   3.865  -8.367  -6.509
  193   HH21  ARG  24          HH21      ARG  24   2.546  -5.053  -6.490
  194   HH22  ARG  24          HH22      ARG  24   2.271  -6.639  -7.021
  195    H    CYS  25           H        CYS  25   3.537  -5.167  -1.517
  196    HA   CYS  25           HA       CYS  25   2.667  -2.826  -2.673
  197    HB2  CYS  25           HB2      CYS  25   1.368  -4.861  -0.956
  198    HB3  CYS  25           HB1      CYS  25   0.514  -3.353  -1.264
  199    H    GLN  26           H        GLN  26   3.217  -3.467   0.766
  200    HA   GLN  26           HA       GLN  26   2.104  -1.039   1.663
  201    HB2  GLN  26           HB2      GLN  26   2.519  -2.895   3.191
  202    HB3  GLN  26           HB1      GLN  26   4.245  -2.782   2.892
  203    HG2  GLN  26           HG2      GLN  26   4.286  -0.568   3.902
  204    HG3  GLN  26           HG1      GLN  26   2.552  -0.669   4.203
  205   HE21  GLN  26          1HE2      GLN  26   4.832  -0.395   6.005
  206   HE22  GLN  26          2HE2      GLN  26   4.684  -1.673   7.156
  207    H    GLN  27           H        GLN  27   5.401  -1.997   0.889
  208    HA   GLN  27           HA       GLN  27   6.598   0.456   1.545
  209    HB2  GLN  27           HB2      GLN  27   7.850  -1.611   1.446
  210    HB3  GLN  27           HB1      GLN  27   7.527  -1.760  -0.272
  211    HG2  GLN  27           HG2      GLN  27   8.850   0.230  -0.704
  212    HG3  GLN  27           HG1      GLN  27   9.128   0.425   1.026
  213   HE21  GLN  27          1HE2      GLN  27  10.984   0.037  -1.149
  214   HE22  GLN  27          2HE2      GLN  27  11.936  -1.343  -0.749
  215    H    GLU  28           H        GLU  28   5.371  -0.797  -1.560
  216    HA   GLU  28           HA       GLU  28   6.340   1.501  -2.948
  217    HB2  GLU  28           HB2      GLU  28   5.235   0.638  -4.937
  218    HB3  GLU  28           HB1      GLU  28   6.157  -0.622  -4.136
  219    HG2  GLU  28           HG2      GLU  28   4.118  -1.533  -3.207
  220    HG3  GLU  28           HG1      GLU  28   3.174  -0.264  -3.993
  221    H    CYS  29           H        CYS  29   3.361   0.696  -1.355
  222    HA   CYS  29           HA       CYS  29   1.911   2.779  -2.626
  223    HB2  CYS  29           HB2      CYS  29   0.878   0.762  -1.484
  224    HB3  CYS  29           HB1      CYS  29   1.272   1.513   0.055
  225    H    GLU  30           H        GLU  30   3.878   2.512   0.291
  226    HA   GLU  30           HA       GLU  30   3.512   5.133   1.259
  227    HB2  GLU  30           HB2      GLU  30   5.873   3.254   1.369
  228    HB3  GLU  30           HB1      GLU  30   5.899   4.835   2.133
  229    HG2  GLU  30           HG2      GLU  30   3.927   2.653   2.764
  230    HG3  GLU  30           HG1      GLU  30   5.399   2.988   3.676
  231    H    GLU  31           H        GLU  31   5.768   3.748  -1.032
  232    HA   GLU  31           HA       GLU  31   7.270   5.997  -1.716
  233    HB2  GLU  31           HB2      GLU  31   7.888   3.710  -2.289
  234    HB3  GLU  31           HB1      GLU  31   6.484   3.575  -3.327
  235    HG2  GLU  31           HG2      GLU  31   7.423   5.166  -4.868
  236    HG3  GLU  31           HG1      GLU  31   8.798   5.433  -3.797
  237    H    ARG  32           H        ARG  32   4.238   4.793  -2.972
  238    HA   ARG  32           HA       ARG  32   3.881   6.592  -5.101
  239    HB2  ARG  32           HB2      ARG  32   2.680   4.463  -4.842
  240    HB3  ARG  32           HB1      ARG  32   1.837   5.107  -3.447
  241    HG2  ARG  32           HG2      ARG  32   0.401   5.133  -5.387
  242    HG3  ARG  32           HG1      ARG  32   0.770   6.786  -4.886
  243    HD2  ARG  32           HD2      ARG  32   0.888   6.511  -7.317
  244    HD3  ARG  32           HD1      ARG  32   2.451   6.956  -6.632
  245    HE   ARG  32           HE       ARG  32   2.150   4.151  -6.819
  246   HH11  ARG  32          HH11      ARG  32   2.892   7.015  -8.750
  247   HH12  ARG  32          HH12      ARG  32   3.725   6.156  -9.963
  248   HH21  ARG  32          HH21      ARG  32   3.357   2.977  -8.434
  249   HH22  ARG  32          HH22      ARG  32   4.008   3.782  -9.781
  250    H    LEU  33           H        LEU  33   2.895   6.686  -1.722
  251    HA   LEU  33           HA       LEU  33   1.352   9.077  -1.965
  252    HB2  LEU  33           HB2      LEU  33   0.822   7.493  -0.239
  253    HB3  LEU  33           HB1      LEU  33   2.430   7.623   0.438
  254    HG   LEU  33           HG       LEU  33   1.946   9.965   1.080
  255   HD11  LEU  33          HD11      LEU  33  -0.344  10.793   1.045
  256   HD12  LEU  33          HD12      LEU  33  -0.856   9.361   0.156
  257   HD13  LEU  33          HD13      LEU  33   0.261  10.509  -0.587
  258   HD21  LEU  33          HD21      LEU  33   1.645   8.158   2.671
  259   HD22  LEU  33          HD22      LEU  33  -0.011   7.924   2.108
  260   HD23  LEU  33          HD23      LEU  33   0.441   9.422   2.921
  261    H    ARG  34           H        ARG  34   4.588   8.370  -0.818
  262    HA   ARG  34           HA       ARG  34   5.119  10.998   0.123
  263    HB2  ARG  34           HB2      ARG  34   7.055   8.809  -0.621
  264    HB3  ARG  34           HB1      ARG  34   7.452  10.255   0.299
  265    HG2  ARG  34           HG2      ARG  34   5.994   9.559   2.083
  266    HG3  ARG  34           HG1      ARG  34   5.478   8.157   1.144
  267    HD2  ARG  34           HD2      ARG  34   7.882   7.446   1.116
  268    HD3  ARG  34           HD1      ARG  34   8.192   8.727   2.293
  269    HE   ARG  34           HE       ARG  34   6.061   7.234   3.206
  270   HH11  ARG  34          HH11      ARG  34   9.526   6.879   2.705
  271   HH12  ARG  34          HH12      ARG  34   9.716   5.603   3.826
  272   HH21  ARG  34          HH21      ARG  34   6.286   5.418   4.702
  273   HH22  ARG  34          HH22      ARG  34   7.819   4.758   5.006
  274    H    ASP  35           H        ASP  35   5.445  12.705  -0.999
  275    HA   ASP  35           HA       ASP  35   5.846  12.728  -3.816
  276    HB2  ASP  35           HB2      ASP  35   6.104  14.965  -1.784
  277    HB3  ASP  35           HB1      ASP  35   6.131  15.186  -3.528
  Start of MODEL    3
    1    H    PCA   1           H        PGL   1  -7.068  11.888   1.130
    2    HA   PCA   1           HA       PGL   1  -6.212  10.198   2.794
    3    HB2  PCA   1           HB1      PGL   1  -7.112  10.523   4.858
    4    HB3  PCA   1           HB2      PGL   1  -8.639   9.824   4.257
    5    HG2  PCA   1           HG1      PGL   1  -8.055  12.604   4.861
    6    HG3  PCA   1           HG2      PGL   1  -9.592  11.890   4.262
    7    H    LYS   2           H        LYS   2  -8.826  10.564   0.701
    8    HA   LYS   2           HA       LYS   2  -9.852   7.926   0.843
    9    HB2  LYS   2           HB2      LYS   2 -10.020   9.961  -1.386
   10    HB3  LYS   2           HB1      LYS   2 -10.935   8.469  -1.306
   11    HG2  LYS   2           HG2      LYS   2 -11.992   9.253   0.776
   12    HG3  LYS   2           HG1      LYS   2 -11.123  10.778   0.613
   13    HD2  LYS   2           HD2      LYS   2 -12.231  11.150  -1.552
   14    HD3  LYS   2           HD1      LYS   2 -13.121   9.641  -1.340
   15    HE2  LYS   2           HE2      LYS   2 -14.549  11.471  -0.691
   16    HE3  LYS   2           HE1      LYS   2 -14.090  10.561   0.745
   17    HZ1  LYS   2           HZ1      LYS   2 -12.855  13.108  -0.139
   18    HZ2  LYS   2           HZ2      LYS   2 -12.434  12.249   1.245
   19    HZ3  LYS   2           HZ3      LYS   2 -13.962  12.933   1.120
   20    H    GLU   3           H        GLU   3  -7.229   9.457  -0.776
   21    HA   GLU   3           HA       GLU   3  -6.680   7.361  -2.606
   22    HB2  GLU   3           HB2      GLU   3  -4.825   9.470  -1.502
   23    HB3  GLU   3           HB1      GLU   3  -4.488   8.443  -2.887
   24    HG2  GLU   3           HG2      GLU   3  -6.341   9.428  -4.094
   25    HG3  GLU   3           HG1      GLU   3  -6.724  10.443  -2.707
   26    H    THR   4           H        THR   4  -6.022   7.924   0.645
   27    HA   THR   4           HA       THR   4  -3.961   5.971   1.015
   28    HB   THR   4           HB       THR   4  -5.859   7.048   3.066
   29    HG1  THR   4           HG1      THR   4  -4.087   8.742   3.224
   30   HG21  THR   4          HG21      THR   4  -2.939   6.243   3.211
   31   HG22  THR   4          HG22      THR   4  -4.297   5.302   3.821
   32   HG23  THR   4          HG23      THR   4  -3.896   6.851   4.563
   33    H    GLU   5           H        GLU   5  -7.448   6.213   1.447
   34    HA   GLU   5           HA       GLU   5  -8.080   3.798   2.645
   35    HB2  GLU   5           HB2      GLU   5  -9.586   5.722   2.320
   36    HB3  GLU   5           HB1      GLU   5  -9.635   5.374   0.601
   37    HG2  GLU   5           HG2      GLU   5 -11.627   4.521   1.522
   38    HG3  GLU   5           HG1      GLU   5 -10.586   3.138   1.193
   39    H    ILE   6           H        ILE   6  -8.116   4.653  -0.826
   40    HA   ILE   6           HA       ILE   6  -8.678   2.000  -1.642
   41    HB   ILE   6           HB       ILE   6  -8.055   2.741  -3.948
   42   HG12  ILE   6          HG12      ILE   6  -7.675   5.442  -2.632
   43   HG13  ILE   6          HG11      ILE   6  -6.379   4.449  -3.281
   44   HG21  ILE   6          HG21      ILE   6  -9.970   4.258  -4.207
   45   HG22  ILE   6          HG22      ILE   6 -10.067   4.405  -2.448
   46   HG23  ILE   6          HG23      ILE   6 -10.320   2.838  -3.228
   47   HD11  ILE   6          HD11      ILE   6  -8.628   5.696  -4.838
   48   HD12  ILE   6          HD12      ILE   6  -7.361   4.671  -5.514
   49   HD13  ILE   6          HD13      ILE   6  -6.948   6.233  -4.804
   50    H    CYS   7           H        CYS   7  -5.720   3.776  -1.205
   51    HA   CYS   7           HA       CYS   7  -3.949   2.136  -2.578
   52    HB2  CYS   7           HB2      CYS   7  -3.505   4.401  -1.519
   53    HB3  CYS   7           HB1      CYS   7  -3.385   3.572   0.022
   54    H    ARG   8           H        ARG   8  -5.158   1.898   0.754
   55    HA   ARG   8           HA       ARG   8  -3.671  -0.519   1.155
   56    HB2  ARG   8           HB2      ARG   8  -4.107   0.937   3.085
   57    HB3  ARG   8           HB1      ARG   8  -5.837   0.668   2.903
   58    HG2  ARG   8           HG2      ARG   8  -4.925  -0.706   4.703
   59    HG3  ARG   8           HG1      ARG   8  -5.522  -1.716   3.383
   60    HD2  ARG   8           HD2      ARG   8  -3.239  -1.965   2.536
   61    HD3  ARG   8           HD1      ARG   8  -2.632  -0.949   3.837
   62    HE   ARG   8           HE       ARG   8  -3.788  -3.638   4.115
   63   HH11  ARG   8          HH11      ARG   8  -1.874  -0.970   5.488
   64   HH12  ARG   8          HH12      ARG   8  -1.119  -1.939   6.664
   65   HH21  ARG   8          HH21      ARG   8  -2.738  -4.932   5.761
   66   HH22  ARG   8          HH22      ARG   8  -1.607  -4.215   6.834
   67    H    GLN   9           H        GLN   9  -7.125   0.295   0.716
   68    HA   GLN   9           HA       GLN   9  -8.171  -2.243   1.115
   69    HB2  GLN   9           HB2      GLN   9  -9.541  -0.180   0.993
   70    HB3  GLN   9           HB1      GLN   9  -9.257  -0.121  -0.738
   71    HG2  GLN   9           HG2      GLN   9 -10.397  -2.281  -0.995
   72    HG3  GLN   9           HG1      GLN   9 -10.713  -2.312   0.735
   73   HE21  GLN   9          1HE2      GLN   9 -12.923  -2.351   0.449
   74   HE22  GLN   9          2HE2      GLN   9 -13.823  -0.993  -0.107
   75    H    TRP  10           H        TRP  10  -6.888  -0.800  -1.831
   76    HA   TRP  10           HA       TRP  10  -7.827  -2.671  -3.652
   77    HB2  TRP  10           HB2      TRP  10  -6.636  -0.416  -4.058
   78    HB3  TRP  10           HB1      TRP  10  -5.143  -1.319  -3.902
   79    HD1  TRP  10           HD       TRP  10  -8.237  -1.050  -6.132
   80    HE1  TRP  10           HE1      TRP  10  -7.673  -2.014  -8.448
   81    HE3  TRP  10          3HE       TRP  10  -3.594  -2.884  -5.115
   82    HZ2  TRP  10           HZ2      TRP  10  -5.519  -3.372  -9.683
   83    HZ3  TRP  10           HZ3      TRP  10  -2.341  -3.997  -6.915
   84    HH2  TRP  10           HH       TRP  10  -3.288  -4.236  -9.144
   85    H    CYS  11           H        CYS  11  -4.709  -2.583  -1.955
   86    HA   CYS  11           HA       CYS  11  -3.919  -5.154  -2.876
   87    HB2  CYS  11           HB2      CYS  11  -2.831  -3.249  -0.850
   88    HB3  CYS  11           HB1      CYS  11  -2.190  -4.884  -0.972
   89    H    GLN  12           H        GLN  12  -5.502  -3.978   0.017
   90    HA   GLN  12           HA       GLN  12  -5.248  -6.203   1.655
   91    HB2  GLN  12           HB2      GLN  12  -6.055  -4.003   2.389
   92    HB3  GLN  12           HB1      GLN  12  -7.537  -4.249   1.481
   93    HG2  GLN  12           HG2      GLN  12  -8.131  -6.114   2.916
   94    HG3  GLN  12           HG1      GLN  12  -6.630  -5.918   3.818
   95   HE21  GLN  12          1HE2      GLN  12  -7.707  -5.533   5.724
   96   HE22  GLN  12          2HE2      GLN  12  -8.536  -4.056   6.036
   97    H    VAL  13           H        VAL  13  -7.659  -5.386  -0.803
   98    HA   VAL  13           HA       VAL  13  -9.165  -7.820  -0.445
   99    HB   VAL  13           HB       VAL  13  -9.360  -5.620  -2.538
  100   HG11  VAL  13          HG11      VAL  13 -11.261  -7.925  -2.066
  101   HG12  VAL  13          HG12      VAL  13 -10.228  -7.711  -3.476
  102   HG13  VAL  13          3HG1      VAL  13 -11.536  -6.570  -3.161
  103   HG21  VAL  13          HG21      VAL  13 -11.390  -4.977  -1.315
  104   HG22  VAL  13          HG22      VAL  13  -9.950  -4.896  -0.299
  105   HG23  VAL  13          HG23      VAL  13 -11.070  -6.248  -0.136
  106    H    MET  14           H        MET  14  -6.626  -6.659  -2.496
  107    HA   MET  14           HA       MET  14  -6.747  -8.585  -4.560
  108    HB2  MET  14           HB2      MET  14  -5.475  -6.495  -4.734
  109    HB3  MET  14           HB1      MET  14  -4.417  -7.038  -3.445
  110    HG2  MET  14           HG2      MET  14  -3.573  -8.816  -4.866
  111    HG3  MET  14           HG1      MET  14  -4.654  -8.299  -6.163
  112    HE1  MET  14           HE1      MET  14  -1.446  -8.607  -6.436
  113    HE2  MET  14           HE2      MET  14  -1.110  -7.186  -7.430
  114    HE3  MET  14          3HE       MET  14  -2.530  -8.182  -7.759
  115    H    LYS  15           H        LYS  15  -4.630  -8.416  -1.691
  116    HA   LYS  15           HA       LYS  15  -4.741 -11.285  -1.437
  117    HB2  LYS  15           HB2      LYS  15  -2.132  -9.783  -1.771
  118    HB3  LYS  15           HB1      LYS  15  -2.222 -11.377  -1.054
  119    HG2  LYS  15           HG2      LYS  15  -2.980 -10.645  -3.888
  120    HG3  LYS  15           HG1      LYS  15  -1.520 -11.492  -3.382
  121    HD2  LYS  15           HD2      LYS  15  -4.353 -12.522  -3.036
  122    HD3  LYS  15           HD1      LYS  15  -3.245 -13.010  -4.306
  123    HE2  LYS  15           HE2      LYS  15  -2.726 -13.378  -1.354
  124    HE3  LYS  15           HE1      LYS  15  -3.402 -14.612  -2.401
  125    HZ1  LYS  15           HZ1      LYS  15  -0.700 -13.378  -2.741
  126    HZ2  LYS  15           HZ2      LYS  15  -1.349 -14.609  -3.695
  127    HZ3  LYS  15           HZ3      LYS  15  -1.019 -14.887  -2.084
  128    HA   PRO  16           HA       PRO  16  -5.092  -9.304   2.603
  129    HB2  PRO  16           HB2      PRO  16  -6.632 -11.667   3.306
  130    HB3  PRO  16           HB1      PRO  16  -7.171  -9.988   3.238
  131    HG2  PRO  16           HG2      PRO  16  -8.016 -11.897   1.485
  132    HG3  PRO  16           HG1      PRO  16  -7.906 -10.178   1.076
  133    HD2  PRO  16           HD2      PRO  16  -6.027 -12.405   0.407
  134    HD3  PRO  16           HD1      PRO  16  -6.559 -11.024  -0.580
  135    H    GLN  17           H        GLN  17  -3.420  -9.583   3.896
  136    HA   GLN  17           HA       GLN  17  -1.908 -10.435   5.256
  137    HB2  GLN  17           HB2      GLN  17  -3.486 -13.004   5.041
  138    HB3  GLN  17           HB1      GLN  17  -2.176 -12.720   6.175
  139    HG2  GLN  17           HG2      GLN  17  -3.467 -10.937   7.227
  140    HG3  GLN  17           HG1      GLN  17  -4.779 -11.217   6.081
  141   HE21  GLN  17          1HE2      GLN  17  -6.056 -13.061   6.294
  142   HE22  GLN  17          2HE2      GLN  17  -6.000 -14.042   7.704
  143    H    GLY  18           H        GLY  18  -0.321 -12.419   5.425
  144    HA2  GLY  18           HA2      GLY  18   0.775 -14.065   3.889
  145    HA3  GLY  18           HA1      GLY  18   0.725 -12.763   2.699
  146    H    GLY  19           H        GLY  19   2.930 -12.565   2.465
  147    HA2  GLY  19           HA2      GLY  19   4.258 -11.263   4.717
  148    HA3  GLY  19           HA1      GLY  19   5.021 -12.680   4.011
  149    H    GLU  20           H        GLU  20   5.365 -12.548   1.600
  150    HA   GLU  20           HA       GLU  20   7.084 -10.359   1.166
  151    HB2  GLU  20           HB2      GLU  20   7.353 -12.686   0.243
  152    HB3  GLU  20           HB1      GLU  20   6.096 -12.297  -0.923
  153    HG2  GLU  20           HG2      GLU  20   8.328 -12.053  -1.875
  154    HG3  GLU  20           HG1      GLU  20   7.464 -10.513  -1.836
  155    H    GLU  21           H        GLU  21   3.911 -11.146  -0.180
  156    HA   GLU  21           HA       GLU  21   3.756  -9.003  -2.023
  157    HB2  GLU  21           HB2      GLU  21   1.507 -10.377  -0.569
  158    HB3  GLU  21           HB1      GLU  21   1.372  -9.429  -2.038
  159    HG2  GLU  21           HG2      GLU  21   2.565 -11.049  -3.290
  160    HG3  GLU  21           HG1      GLU  21   2.991 -11.949  -1.830
  161    H    GLN  22           H        GLN  22   3.271  -9.252   1.383
  162    HA   GLN  22           HA       GLN  22   1.664  -6.914   1.654
  163    HB2  GLN  22           HB2      GLN  22   3.318  -8.306   3.768
  164    HB3  GLN  22           HB1      GLN  22   2.046  -7.129   4.056
  165    HG2  GLN  22           HG2      GLN  22   1.726  -9.895   2.911
  166    HG3  GLN  22           HG1      GLN  22   1.228  -9.343   4.505
  167   HE21  GLN  22          1HE2      GLN  22   0.487  -9.389   1.133
  168   HE22  GLN  22          2HE2      GLN  22  -1.104  -8.751   1.250
  169    H    ARG  23           H        ARG  23   5.106  -7.671   1.901
  170    HA   ARG  23           HA       ARG  23   5.938  -5.068   2.642
  171    HB2  ARG  23           HB2      ARG  23   7.509  -7.104   1.034
  172    HB3  ARG  23           HB1      ARG  23   8.176  -5.661   1.770
  173    HG2  ARG  23           HG2      ARG  23   7.373  -6.653   3.987
  174    HG3  ARG  23           HG1      ARG  23   7.190  -8.160   3.087
  175    HD2  ARG  23           HD2      ARG  23   9.726  -6.545   3.380
  176    HD3  ARG  23           HD1      ARG  23   9.367  -8.065   4.184
  177    HE   ARG  23           HE       ARG  23   9.203  -8.556   1.440
  178   HH11  ARG  23          HH11      ARG  23  11.727  -7.601   3.754
  179   HH12  ARG  23          HH12      ARG  23  12.992  -8.252   2.833
  180   HH21  ARG  23          HH21      ARG  23  10.872  -9.481   0.276
  181   HH22  ARG  23          HH22      ARG  23  12.512  -9.406   0.777
  182    H    ARG  24           H        ARG  24   5.577  -6.690  -0.458
  183    HA   ARG  24           HA       ARG  24   6.391  -4.649  -2.149
  184    HB2  ARG  24           HB2      ARG  24   5.992  -6.813  -3.084
  185    HB3  ARG  24           HB1      ARG  24   4.331  -6.826  -2.523
  186    HG2  ARG  24           HG2      ARG  24   4.496  -6.516  -4.960
  187    HG3  ARG  24           HG1      ARG  24   3.722  -5.148  -4.168
  188    HD2  ARG  24           HD2      ARG  24   5.262  -4.381  -5.881
  189    HD3  ARG  24           HD1      ARG  24   5.832  -3.902  -4.288
  190    HE   ARG  24           HE       ARG  24   6.927  -6.370  -5.190
  191   HH11  ARG  24          HH11      ARG  24   7.274  -2.810  -5.398
  192   HH12  ARG  24          HH12      ARG  24   8.928  -2.877  -5.760
  193   HH21  ARG  24          HH21      ARG  24   9.221  -6.420  -5.726
  194   HH22  ARG  24          HH22      ARG  24  10.056  -4.953  -5.957
  195    H    CYS  25           H        CYS  25   3.022  -5.331  -1.156
  196    HA   CYS  25           HA       CYS  25   2.068  -2.980  -2.320
  197    HB2  CYS  25           HB2      CYS  25   0.879  -4.908  -0.393
  198    HB3  CYS  25           HB1      CYS  25   0.064  -3.374  -0.685
  199    H    GLN  26           H        GLN  26   3.408  -3.476   0.862
  200    HA   GLN  26           HA       GLN  26   2.535  -0.989   1.883
  201    HB2  GLN  26           HB2      GLN  26   3.269  -2.658   3.437
  202    HB3  GLN  26           HB1      GLN  26   4.837  -2.779   2.652
  203    HG2  GLN  26           HG2      GLN  26   5.420  -0.560   3.381
  204    HG3  GLN  26           HG1      GLN  26   3.815  -0.336   4.070
  205   HE21  GLN  26          1HE2      GLN  26   4.759   0.098   6.018
  206   HE22  GLN  26          2HE2      GLN  26   5.374  -1.137   7.058
  207    H    GLN  27           H        GLN  27   5.526  -2.033   0.313
  208    HA   GLN  27           HA       GLN  27   6.834   0.444   0.429
  209    HB2  GLN  27           HB2      GLN  27   7.987  -1.667  -0.053
  210    HB3  GLN  27           HB1      GLN  27   7.138  -1.786  -1.587
  211    HG2  GLN  27           HG2      GLN  27   8.225   0.253  -2.348
  212    HG3  GLN  27           HG1      GLN  27   9.091   0.368  -0.818
  213   HE21  GLN  27          1HE2      GLN  27  11.055   0.247  -1.823
  214   HE22  GLN  27          2HE2      GLN  27  11.686  -1.205  -2.507
  215    H    GLU  28           H        GLU  28   4.753  -0.994  -2.049
  216    HA   GLU  28           HA       GLU  28   4.916   1.091  -3.914
  217    HB2  GLU  28           HB2      GLU  28   2.537  -0.697  -3.373
  218    HB3  GLU  28           HB1      GLU  28   2.773   0.281  -4.808
  219    HG2  GLU  28           HG2      GLU  28   4.368  -2.114  -3.946
  220    HG3  GLU  28           HG1      GLU  28   3.274  -1.993  -5.319
  221    H    CYS  29           H        CYS  29   2.632   0.518  -1.286
  222    HA   CYS  29           HA       CYS  29   1.023   2.762  -1.823
  223    HB2  CYS  29           HB2      CYS  29   0.360   0.710  -0.516
  224    HB3  CYS  29           HB1      CYS  29   1.270   1.373   0.837
  225    H    GLU  30           H        GLU  30   3.497   2.257   0.728
  226    HA   GLU  30           HA       GLU  30   3.029   4.803   1.795
  227    HB2  GLU  30           HB2      GLU  30   5.398   3.001   2.222
  228    HB3  GLU  30           HB1      GLU  30   5.070   4.467   3.134
  229    HG2  GLU  30           HG2      GLU  30   2.775   3.315   3.598
  230    HG3  GLU  30           HG1      GLU  30   3.664   1.849   3.191
  231    H    GLU  31           H        GLU  31   5.284   3.778  -0.693
  232    HA   GLU  31           HA       GLU  31   6.478   6.381  -0.540
  233    HB2  GLU  31           HB2      GLU  31   6.998   4.086  -2.383
  234    HB3  GLU  31           HB1      GLU  31   7.785   5.647  -2.583
  235    HG2  GLU  31           HG2      GLU  31   8.575   5.399  -0.200
  236    HG3  GLU  31           HG1      GLU  31   7.997   3.737  -0.277
  237    H    ARG  32           H        ARG  32   3.827   5.045  -2.174
  238    HA   ARG  32           HA       ARG  32   3.819   7.059  -4.231
  239    HB2  ARG  32           HB2      ARG  32   2.765   4.800  -4.441
  240    HB3  ARG  32           HB1      ARG  32   1.547   5.299  -3.280
  241    HG2  ARG  32           HG2      ARG  32   0.701   5.433  -5.561
  242    HG3  ARG  32           HG1      ARG  32   0.789   7.034  -4.821
  243    HD2  ARG  32           HD2      ARG  32   1.608   7.015  -7.164
  244    HD3  ARG  32           HD1      ARG  32   2.831   7.525  -6.008
  245    HE   ARG  32           HE       ARG  32   2.900   4.718  -6.667
  246   HH11  ARG  32          HH11      ARG  32   4.022   7.942  -7.636
  247   HH12  ARG  32          HH12      ARG  32   5.432   7.383  -8.399
  248   HH21  ARG  32          HH21      ARG  32   4.879   3.957  -7.752
  249   HH22  ARG  32          HH22      ARG  32   5.930   5.070  -8.471
  250    H    LEU  33           H        LEU  33   2.237   6.475  -1.160
  251    HA   LEU  33           HA       LEU  33   0.726   8.896  -1.121
  252    HB2  LEU  33           HB2      LEU  33   0.084   6.888   0.131
  253    HB3  LEU  33           HB1      LEU  33   1.545   7.005   1.084
  254    HG   LEU  33           HG       LEU  33   0.706   9.133   2.047
  255   HD11  LEU  33          HD11      LEU  33  -0.759   9.834   0.239
  256   HD12  LEU  33          HD12      LEU  33  -1.652   9.720   1.756
  257   HD13  LEU  33          HD13      LEU  33  -1.815   8.454   0.540
  258   HD21  LEU  33          HD21      LEU  33  -1.095   6.739   2.322
  259   HD22  LEU  33          HD22      LEU  33  -1.013   8.083   3.458
  260   HD23  LEU  33          HD23      LEU  33   0.389   7.038   3.224
  261    H    ARG  34           H        ARG  34   3.827   7.840   0.082
  262    HA   ARG  34           HA       ARG  34   5.651   8.826   0.766
  263    HB2  ARG  34           HB2      ARG  34   4.336  11.375  -0.135
  264    HB3  ARG  34           HB1      ARG  34   5.886  11.378   0.694
  265    HG2  ARG  34           HG2      ARG  34   5.282   9.991  -1.912
  266    HG3  ARG  34           HG1      ARG  34   6.183  11.497  -1.714
  267    HD2  ARG  34           HD2      ARG  34   6.981   8.747  -0.730
  268    HD3  ARG  34           HD1      ARG  34   7.757   9.702  -1.983
  269    HE   ARG  34           HE       ARG  34   8.009  11.360   0.037
  270   HH11  ARG  34          HH11      ARG  34   8.721   7.897  -0.111
  271   HH12  ARG  34          HH12      ARG  34   9.822   7.919   1.183
  272   HH21  ARG  34          HH21      ARG  34   9.531  11.400   1.766
  273   HH22  ARG  34          HH22      ARG  34  10.319   9.955   2.259
  274    H    ASP  35           H        ASP  35   3.347  11.137   1.989
  275    HA   ASP  35           HA       ASP  35   4.374  10.366   4.633
  276    HB2  ASP  35           HB2      ASP  35   4.817  12.760   3.984
  277    HB3  ASP  35           HB1      ASP  35   3.075  13.018   3.971
  Start of MODEL    4
    1    H    PCA   1           H        PGL   1  -5.455  10.571   2.601
    2    HA   PCA   1           HA       PGL   1  -5.809   9.083   4.640
    3    HB2  PCA   1           HB1      PGL   1  -7.219   9.961   6.199
    4    HB3  PCA   1           HB2      PGL   1  -8.541  10.003   4.998
    5    HG2  PCA   1           HG1      PGL   1  -6.870  12.206   5.944
    6    HG3  PCA   1           HG2      PGL   1  -8.290  12.252   4.844
    7    H    LYS   2           H        LYS   2  -7.896  10.247   2.096
    8    HA   LYS   2           HA       LYS   2  -9.434   7.849   1.895
    9    HB2  LYS   2           HB2      LYS   2  -9.053  10.092  -0.106
   10    HB3  LYS   2           HB1      LYS   2 -10.231   8.807  -0.219
   11    HG2  LYS   2           HG2      LYS   2 -10.153  10.912   1.933
   12    HG3  LYS   2           HG1      LYS   2 -11.240  10.894   0.543
   13    HD2  LYS   2           HD2      LYS   2 -12.137   8.722   1.340
   14    HD3  LYS   2           HD1      LYS   2 -11.117   8.864   2.771
   15    HE2  LYS   2           HE2      LYS   2 -12.261  10.989   3.329
   16    HE3  LYS   2           HE1      LYS   2 -13.316  10.751   1.941
   17    HZ1  LYS   2           HZ1      LYS   2 -13.102   8.947   4.282
   18    HZ2  LYS   2           HZ2      LYS   2 -14.049   8.658   2.935
   19    HZ3  LYS   2           HZ3      LYS   2 -14.411   9.941   3.946
   20    H    GLU   3           H        GLU   3  -6.799   9.312   0.086
   21    HA   GLU   3           HA       GLU   3  -6.581   7.200  -1.782
   22    HB2  GLU   3           HB2      GLU   3  -4.576   8.243  -2.600
   23    HB3  GLU   3           HB1      GLU   3  -5.688   9.527  -2.182
   24    HG2  GLU   3           HG2      GLU   3  -3.317   8.631  -0.541
   25    HG3  GLU   3           HG1      GLU   3  -3.377  10.051  -1.573
   26    H    THR   4           H        THR   4  -5.386   7.730   1.288
   27    HA   THR   4           HA       THR   4  -3.330   5.762   1.366
   28    HB   THR   4           HB       THR   4  -4.901   6.860   3.673
   29    HG1  THR   4           HG1      THR   4  -3.894   8.493   2.168
   30   HG21  THR   4          HG21      THR   4  -2.065   5.833   3.469
   31   HG22  THR   4          HG22      THR   4  -3.418   4.976   4.200
   32   HG23  THR   4          HG23      THR   4  -2.823   6.472   4.928
   33    H    GLU   5           H        GLU   5  -6.731   5.811   2.539
   34    HA   GLU   5           HA       GLU   5  -6.825   3.206   3.502
   35    HB2  GLU   5           HB2      GLU   5  -8.488   4.995   3.977
   36    HB3  GLU   5           HB1      GLU   5  -9.051   4.885   2.320
   37    HG2  GLU   5           HG2      GLU   5 -10.578   3.742   3.762
   38    HG3  GLU   5           HG1      GLU   5  -9.748   2.571   2.737
   39    H    ILE   6           H        ILE   6  -7.753   4.546   0.335
   40    HA   ILE   6           HA       ILE   6  -8.476   2.108  -0.866
   41    HB   ILE   6           HB       ILE   6  -7.651   4.766  -2.036
   42   HG12  ILE   6          HG12      ILE   6  -9.923   4.702  -3.035
   43   HG13  ILE   6          HG11      ILE   6 -10.188   3.137  -2.283
   44   HG21  ILE   6          HG21      ILE   6  -8.043   3.982  -4.328
   45   HG22  ILE   6          HG22      ILE   6  -8.169   2.328  -3.729
   46   HG23  ILE   6          HG23      ILE   6  -6.647   3.202  -3.585
   47   HD11  ILE   6          HD11      ILE   6  -9.969   4.155  -0.109
   48   HD12  ILE   6          HD12      ILE   6 -11.258   4.937  -1.052
   49   HD13  ILE   6          HD13      ILE   6  -9.674   5.714  -0.860
   50    H    CYS   7           H        CYS   7  -5.428   3.697  -0.627
   51    HA   CYS   7           HA       CYS   7  -3.860   2.200  -2.397
   52    HB2  CYS   7           HB2      CYS   7  -3.150   4.280  -1.134
   53    HB3  CYS   7           HB1      CYS   7  -2.925   3.264   0.279
   54    H    ARG   8           H        ARG   8  -4.490   1.591   1.037
   55    HA   ARG   8           HA       ARG   8  -3.131  -0.934   0.926
   56    HB2  ARG   8           HB2      ARG   8  -3.059   0.326   3.005
   57    HB3  ARG   8           HB1      ARG   8  -4.812   0.330   3.100
   58    HG2  ARG   8           HG2      ARG   8  -4.005  -1.282   4.667
   59    HG3  ARG   8           HG1      ARG   8  -4.732  -2.163   3.328
   60    HD2  ARG   8           HD2      ARG   8  -2.400  -2.428   2.393
   61    HD3  ARG   8           HD1      ARG   8  -1.798  -1.773   3.916
   62    HE   ARG   8           HE       ARG   8  -3.491  -4.185   3.802
   63   HH11  ARG   8          HH11      ARG   8  -0.617  -2.578   5.151
   64   HH12  ARG   8          HH12      ARG   8  -0.056  -3.966   5.947
   65   HH21  ARG   8          HH21      ARG   8  -2.685  -6.096   4.894
   66   HH22  ARG   8          HH22      ARG   8  -1.230  -6.011   5.771
   67    H    GLN   9           H        GLN   9  -6.505   0.175   0.913
   68    HA   GLN   9           HA       GLN   9  -7.798  -2.264   1.274
   69    HB2  GLN   9           HB2      GLN   9  -8.918  -0.058   1.374
   70    HB3  GLN   9           HB1      GLN   9  -8.744   0.087  -0.367
   71    HG2  GLN   9           HG2      GLN   9 -10.172  -1.878  -0.670
   72    HG3  GLN   9           HG1      GLN   9 -10.365  -1.993   1.077
   73   HE21  GLN   9          1HE2      GLN   9 -11.615  -0.475   2.126
   74   HE22  GLN   9          2HE2      GLN   9 -12.724   0.563   1.304
   75    H    TRP  10           H        TRP  10  -6.570  -0.792  -1.673
   76    HA   TRP  10           HA       TRP  10  -7.657  -2.566  -3.544
   77    HB2  TRP  10           HB2      TRP  10  -6.449  -0.410  -4.053
   78    HB3  TRP  10           HB1      TRP  10  -4.944  -1.226  -3.673
   79    HD1  TRP  10           HD       TRP  10  -7.683  -1.092  -6.314
   80    HE1  TRP  10           HE1      TRP  10  -6.825  -2.211  -8.468
   81    HE3  TRP  10          3HE       TRP  10  -3.301  -3.012  -4.564
   82    HZ2  TRP  10           HZ2      TRP  10  -4.621  -3.694  -9.313
   83    HZ3  TRP  10           HZ3      TRP  10  -1.864  -4.278  -6.115
   84    HH2  TRP  10           HH       TRP  10  -2.519  -4.611  -8.446
   85    H    CYS  11           H        CYS  11  -4.539  -2.634  -1.907
   86    HA   CYS  11           HA       CYS  11  -3.826  -5.164  -2.952
   87    HB2  CYS  11           HB2      CYS  11  -2.723  -3.546  -0.679
   88    HB3  CYS  11           HB1      CYS  11  -2.011  -5.061  -1.238
   89    H    GLN  12           H        GLN  12  -5.528  -4.136  -0.141
   90    HA   GLN  12           HA       GLN  12  -5.490  -6.389   1.474
   91    HB2  GLN  12           HB2      GLN  12  -6.404  -4.233   2.143
   92    HB3  GLN  12           HB1      GLN  12  -7.668  -4.377   0.940
   93    HG2  GLN  12           HG2      GLN  12  -8.553  -6.327   2.192
   94    HG3  GLN  12           HG1      GLN  12  -7.344  -6.012   3.439
   95   HE21  GLN  12          1HE2      GLN  12  -7.546  -3.092   3.128
   96   HE22  GLN  12          2HE2      GLN  12  -9.035  -2.639   3.843
   97    H    VAL  13           H        VAL  13  -7.704  -5.534  -1.179
   98    HA   VAL  13           HA       VAL  13  -8.932  -8.142  -0.966
   99    HB   VAL  13           HB       VAL  13 -10.470  -7.421  -2.752
  100   HG11  VAL  13          HG11      VAL  13 -11.044  -6.936  -0.458
  101   HG12  VAL  13          HG12      VAL  13 -11.598  -5.633  -1.511
  102   HG13  VAL  13          3HG1      VAL  13 -10.150  -5.418  -0.530
  103   HG21  VAL  13          HG21      VAL  13 -10.428  -5.101  -3.581
  104   HG22  VAL  13          HG22      VAL  13  -8.972  -5.980  -4.045
  105   HG23  VAL  13          HG23      VAL  13  -8.916  -4.825  -2.716
  106    H    MET  14           H        MET  14  -6.534  -6.622  -2.888
  107    HA   MET  14           HA       MET  14  -6.690  -8.443  -5.084
  108    HB2  MET  14           HB2      MET  14  -5.766  -6.152  -5.309
  109    HB3  MET  14           HB1      MET  14  -4.426  -6.620  -4.282
  110    HG2  MET  14           HG2      MET  14  -3.779  -6.616  -6.618
  111    HG3  MET  14           HG1      MET  14  -3.686  -8.234  -5.927
  112    HE1  MET  14           HE1      MET  14  -6.948  -6.299  -7.082
  113    HE2  MET  14           HE2      MET  14  -7.055  -6.828  -8.759
  114    HE3  MET  14          3HE       MET  14  -5.716  -5.804  -8.242
  115    H    LYS  15           H        LYS  15  -4.471  -8.152  -2.296
  116    HA   LYS  15           HA       LYS  15  -3.749 -10.968  -2.654
  117    HB2  LYS  15           HB2      LYS  15  -1.746  -8.762  -2.030
  118    HB3  LYS  15           HB1      LYS  15  -1.390 -10.474  -2.165
  119    HG2  LYS  15           HG2      LYS  15  -2.359  -8.737  -4.425
  120    HG3  LYS  15           HG1      LYS  15  -0.672  -9.144  -4.122
  121    HD2  LYS  15           HD2      LYS  15  -1.062 -11.449  -4.572
  122    HD3  LYS  15           HD1      LYS  15  -2.812 -11.223  -4.562
  123    HE2  LYS  15           HE2      LYS  15  -1.933 -11.446  -6.837
  124    HE3  LYS  15           HE1      LYS  15  -2.683  -9.885  -6.577
  125    HZ1  LYS  15           HZ1      LYS  15   0.252 -10.438  -6.621
  126    HZ2  LYS  15           HZ2      LYS  15  -0.460  -8.939  -6.288
  127    HZ3  LYS  15           HZ3      LYS  15  -0.658  -9.621  -7.788
  128    HA   PRO  16           HA       PRO  16  -5.084  -9.803   1.604
  129    HB2  PRO  16           HB2      PRO  16  -6.328 -12.451   1.663
  130    HB3  PRO  16           HB1      PRO  16  -7.086 -10.870   1.860
  131    HG2  PRO  16           HG2      PRO  16  -7.493 -12.409  -0.332
  132    HG3  PRO  16           HG1      PRO  16  -7.493 -10.638  -0.398
  133    HD2  PRO  16           HD2      PRO  16  -5.326 -12.562  -1.148
  134    HD3  PRO  16           HD1      PRO  16  -5.867 -11.088  -1.985
  135    H    GLN  17           H        GLN  17  -3.496 -10.039   3.002
  136    HA   GLN  17           HA       GLN  17  -1.877 -10.863   4.333
  137    HB2  GLN  17           HB2      GLN  17  -3.535 -13.353   4.016
  138    HB3  GLN  17           HB1      GLN  17  -2.165 -13.255   5.112
  139    HG2  GLN  17           HG2      GLN  17  -3.251 -11.541   6.399
  140    HG3  GLN  17           HG1      GLN  17  -4.563 -11.440   5.226
  141   HE21  GLN  17          1HE2      GLN  17  -6.027 -11.868   6.891
  142   HE22  GLN  17          2HE2      GLN  17  -6.259 -13.460   7.504
  143    H    GLY  18           H        GLY  18  -1.575 -11.093   1.339
  144    HA2  GLY  18           HA2      GLY  18   0.232 -13.368   1.040
  145    HA3  GLY  18           HA1      GLY  18  -0.214 -12.229  -0.225
  146    H    GLY  19           H        GLY  19   1.616 -12.631   2.657
  147    HA2  GLY  19           HA2      GLY  19   2.889 -10.415   3.330
  148    HA3  GLY  19           HA1      GLY  19   3.753 -11.927   3.278
  149    H    GLU  20           H        GLU  20   4.314 -12.322   0.666
  150    HA   GLU  20           HA       GLU  20   6.451 -10.515   0.238
  151    HB2  GLU  20           HB2      GLU  20   5.213 -12.542  -1.622
  152    HB3  GLU  20           HB1      GLU  20   6.591 -11.558  -2.076
  153    HG2  GLU  20           HG2      GLU  20   7.336 -13.726  -1.401
  154    HG3  GLU  20           HG1      GLU  20   7.862 -12.532  -0.219
  155    H    GLU  21           H        GLU  21   3.483 -10.931  -1.583
  156    HA   GLU  21           HA       GLU  21   4.002  -8.664  -3.226
  157    HB2  GLU  21           HB2      GLU  21   1.511 -10.330  -2.880
  158    HB3  GLU  21           HB1      GLU  21   1.753  -9.139  -4.151
  159    HG2  GLU  21           HG2      GLU  21   3.686 -10.412  -4.964
  160    HG3  GLU  21           HG1      GLU  21   3.397 -11.619  -3.717
  161    H    GLN  22           H        GLN  22   2.490  -9.195  -0.247
  162    HA   GLN  22           HA       GLN  22   0.968  -6.809  -0.108
  163    HB2  GLN  22           HB2      GLN  22   0.551  -8.788   1.289
  164    HB3  GLN  22           HB1      GLN  22   2.097  -8.548   2.078
  165    HG2  GLN  22           HG2      GLN  22   1.338  -6.537   3.093
  166    HG3  GLN  22           HG1      GLN  22  -0.160  -6.572   2.158
  167   HE21  GLN  22          1HE2      GLN  22   1.605  -8.011   4.794
  168   HE22  GLN  22          2HE2      GLN  22   0.252  -8.869   5.436
  169    H    ARG  23           H        ARG  23   4.246  -7.732   0.960
  170    HA   ARG  23           HA       ARG  23   4.825  -5.119   1.932
  171    HB2  ARG  23           HB2      ARG  23   6.698  -7.355   1.161
  172    HB3  ARG  23           HB1      ARG  23   7.229  -5.842   1.880
  173    HG2  ARG  23           HG2      ARG  23   5.497  -7.962   3.126
  174    HG3  ARG  23           HG1      ARG  23   7.137  -7.506   3.585
  175    HD2  ARG  23           HD2      ARG  23   4.642  -5.824   3.852
  176    HD3  ARG  23           HD1      ARG  23   5.554  -6.567   5.152
  177    HE   ARG  23           HE       ARG  23   7.187  -4.816   3.630
  178   HH11  ARG  23          HH11      ARG  23   4.633  -4.763   6.103
  179   HH12  ARG  23          HH12      ARG  23   5.168  -3.303   6.796
  180   HH21  ARG  23          HH21      ARG  23   7.814  -2.760   4.538
  181   HH22  ARG  23          HH22      ARG  23   6.971  -2.120   5.864
  182    H    ARG  24           H        ARG  24   5.145  -6.705  -1.121
  183    HA   ARG  24           HA       ARG  24   6.505  -4.744  -2.567
  184    HB2  ARG  24           HB2      ARG  24   5.784  -6.934  -3.483
  185    HB3  ARG  24           HB1      ARG  24   4.117  -6.390  -3.449
  186    HG2  ARG  24           HG2      ARG  24   5.018  -6.294  -5.705
  187    HG3  ARG  24           HG1      ARG  24   4.645  -4.675  -5.115
  188    HD2  ARG  24           HD2      ARG  24   6.818  -4.837  -6.309
  189    HD3  ARG  24           HD1      ARG  24   6.955  -4.238  -4.657
  190    HE   ARG  24           HE       ARG  24   7.280  -7.047  -4.772
  191   HH11  ARG  24          HH11      ARG  24   9.019  -4.038  -5.482
  192   HH12  ARG  24          HH12      ARG  24  10.552  -4.699  -5.166
  193   HH21  ARG  24          HH21      ARG  24   9.402  -7.926  -4.301
  194   HH22  ARG  24          HH22      ARG  24  10.777  -6.950  -4.523
  195    H    CYS  25           H        CYS  25   3.045  -5.123  -1.948
  196    HA   CYS  25           HA       CYS  25   2.149  -2.702  -2.951
  197    HB2  CYS  25           HB2      CYS  25   1.120  -4.619  -0.940
  198    HB3  CYS  25           HB1      CYS  25   0.339  -3.052  -1.102
  199    H    GLN  26           H        GLN  26   3.351  -3.473   0.284
  200    HA   GLN  26           HA       GLN  26   2.780  -1.016   1.454
  201    HB2  GLN  26           HB2      GLN  26   5.049  -2.917   2.032
  202    HB3  GLN  26           HB1      GLN  26   4.649  -1.539   3.040
  203    HG2  GLN  26           HG2      GLN  26   2.893  -3.921   2.485
  204    HG3  GLN  26           HG1      GLN  26   3.739  -3.560   3.989
  205   HE21  GLN  26          1HE2      GLN  26   3.013  -1.842   5.244
  206   HE22  GLN  26          2HE2      GLN  26   1.414  -1.228   5.120
  207    H    GLN  27           H        GLN  27   5.683  -2.096  -0.220
  208    HA   GLN  27           HA       GLN  27   7.170   0.266  -0.049
  209    HB2  GLN  27           HB2      GLN  27   8.111  -1.878  -0.778
  210    HB3  GLN  27           HB1      GLN  27   7.133  -1.820  -2.235
  211    HG2  GLN  27           HG2      GLN  27   8.326   0.237  -2.904
  212    HG3  GLN  27           HG1      GLN  27   9.363   0.057  -1.491
  213   HE21  GLN  27          1HE2      GLN  27  10.053   0.067  -4.268
  214   HE22  GLN  27          2HE2      GLN  27  10.842  -1.430  -4.615
  215    H    GLU  28           H        GLU  28   4.977  -0.880  -2.597
  216    HA   GLU  28           HA       GLU  28   5.246   1.384  -4.254
  217    HB2  GLU  28           HB2      GLU  28   2.912  -0.517  -4.073
  218    HB3  GLU  28           HB1      GLU  28   3.205   0.621  -5.377
  219    HG2  GLU  28           HG2      GLU  28   5.332  -0.573  -5.847
  220    HG3  GLU  28           HG1      GLU  28   4.864  -1.770  -4.640
  221    H    CYS  29           H        CYS  29   3.125   0.679  -1.580
  222    HA   CYS  29           HA       CYS  29   1.376   2.856  -2.012
  223    HB2  CYS  29           HB2      CYS  29   0.926   0.788  -0.581
  224    HB3  CYS  29           HB1      CYS  29   1.916   1.555   0.656
  225    H    GLU  30           H        GLU  30   4.295   2.406  -0.038
  226    HA   GLU  30           HA       GLU  30   4.272   4.956   1.147
  227    HB2  GLU  30           HB2      GLU  30   6.584   3.102   0.511
  228    HB3  GLU  30           HB1      GLU  30   6.727   4.559   1.485
  229    HG2  GLU  30           HG2      GLU  30   5.160   3.632   3.109
  230    HG3  GLU  30           HG1      GLU  30   5.008   2.184   2.120
  231    H    GLU  31           H        GLU  31   5.615   3.720  -1.829
  232    HA   GLU  31           HA       GLU  31   6.861   6.128  -2.651
  233    HB2  GLU  31           HB2      GLU  31   7.516   3.868  -3.399
  234    HB3  GLU  31           HB1      GLU  31   5.995   3.721  -4.253
  235    HG2  GLU  31           HG2      GLU  31   6.636   5.523  -5.740
  236    HG3  GLU  31           HG1      GLU  31   8.147   5.733  -4.858
  237    H    ARG  32           H        ARG  32   3.625   5.016  -2.748
  238    HA   ARG  32           HA       ARG  32   2.755   6.742  -4.908
  239    HB2  ARG  32           HB2      ARG  32   1.687   4.551  -4.485
  240    HB3  ARG  32           HB1      ARG  32   1.155   5.133  -2.920
  241    HG2  ARG  32           HG2      ARG  32  -0.217   6.845  -4.027
  242    HG3  ARG  32           HG1      ARG  32   0.295   6.223  -5.596
  243    HD2  ARG  32           HD2      ARG  32  -1.268   4.737  -3.486
  244    HD3  ARG  32           HD1      ARG  32  -1.878   5.313  -5.037
  245    HE   ARG  32           HE       ARG  32   0.293   3.686  -5.551
  246   HH11  ARG  32          HH11      ARG  32  -3.033   3.321  -4.357
  247   HH12  ARG  32          HH12      ARG  32  -3.082   1.645  -4.690
  248   HH21  ARG  32          HH21      ARG  32   0.176   1.420  -6.028
  249   HH22  ARG  32          HH22      ARG  32  -1.241   0.549  -5.636
  250    H    LEU  33           H        LEU  33   2.288   6.505  -1.414
  251    HA   LEU  33           HA       LEU  33   0.692   8.850  -1.256
  252    HB2  LEU  33           HB2      LEU  33   2.143   7.383   0.932
  253    HB3  LEU  33           HB1      LEU  33   0.886   8.581   1.156
  254    HG   LEU  33           HG       LEU  33   0.540   5.868  -0.117
  255   HD11  LEU  33          HD11      LEU  33   0.881   5.799   2.285
  256   HD12  LEU  33          HD12      LEU  33  -0.765   5.351   1.843
  257   HD13  LEU  33          HD13      LEU  33  -0.433   6.956   2.509
  258   HD21  LEU  33          HD21      LEU  33  -1.852   6.390  -0.109
  259   HD22  LEU  33          HD22      LEU  33  -0.956   7.509  -1.130
  260   HD23  LEU  33          HD23      LEU  33  -1.494   8.016   0.474
  261    H    ARG  34           H        ARG  34   4.096   8.178  -0.788
  262    HA   ARG  34           HA       ARG  34   4.541  10.923   0.061
  263    HB2  ARG  34           HB2      ARG  34   6.464   8.633  -0.333
  264    HB3  ARG  34           HB1      ARG  34   6.893  10.225   0.277
  265    HG2  ARG  34           HG2      ARG  34   5.555   9.902   2.229
  266    HG3  ARG  34           HG1      ARG  34   4.930   8.378   1.596
  267    HD2  ARG  34           HD2      ARG  34   7.193   7.454   1.625
  268    HD3  ARG  34           HD1      ARG  34   7.800   8.968   2.291
  269    HE   ARG  34           HE       ARG  34   6.131   8.497   4.130
  270   HH11  ARG  34          HH11      ARG  34   7.989   5.960   2.427
  271   HH12  ARG  34          HH12      ARG  34   7.835   4.824   3.666
  272   HH21  ARG  34          HH21      ARG  34   6.047   6.965   5.890
  273   HH22  ARG  34          HH22      ARG  34   6.762   5.436   5.714
  274    H    ASP  35           H        ASP  35   5.719  12.370  -1.122
  275    HA   ASP  35           HA       ASP  35   6.432  11.583  -3.831
  276    HB2  ASP  35           HB2      ASP  35   4.248  12.820  -3.817
  277    HB3  ASP  35           HB1      ASP  35   5.093  14.199  -3.117
  Start of MODEL    5
    1    H    PCA   1           H        PGL   1  -4.891  11.826   2.850
    2    HA   PCA   1           HA       PGL   1  -3.283   9.917   3.271
    3    HB2  PCA   1           HB1      PGL   1  -3.108   9.441   5.477
    4    HB3  PCA   1           HB2      PGL   1  -4.714   8.668   5.392
    5    HG2  PCA   1           HG1      PGL   1  -4.011  11.179   6.641
    6    HG3  PCA   1           HG2      PGL   1  -5.630  10.410   6.526
    7    H    LYS   2           H        LYS   2  -6.413  10.429   2.452
    8    HA   LYS   2           HA       LYS   2  -7.419   7.814   2.557
    9    HB2  LYS   2           HB2      LYS   2  -8.394  10.132   0.913
   10    HB3  LYS   2           HB1      LYS   2  -9.240   8.618   1.178
   11    HG2  LYS   2           HG2      LYS   2  -9.127   9.108   3.652
   12    HG3  LYS   2           HG1      LYS   2  -8.578  10.725   3.220
   13    HD2  LYS   2           HD2      LYS   2 -10.964  10.749   3.637
   14    HD3  LYS   2           HD1      LYS   2 -10.662  11.041   1.923
   15    HE2  LYS   2           HE2      LYS   2 -12.525   9.477   2.302
   16    HE3  LYS   2           HE1      LYS   2 -11.222   8.737   1.389
   17    HZ1  LYS   2           HZ1      LYS   2 -11.988   7.212   3.018
   18    HZ2  LYS   2           HZ2      LYS   2 -11.896   8.335   4.254
   19    HZ3  LYS   2           HZ3      LYS   2 -10.476   7.711   3.582
   20    H    GLU   3           H        GLU   3  -5.450   9.419   0.192
   21    HA   GLU   3           HA       GLU   3  -5.970   7.643  -1.944
   22    HB2  GLU   3           HB2      GLU   3  -3.376   9.114  -1.363
   23    HB3  GLU   3           HB1      GLU   3  -3.748   8.283  -2.855
   24    HG2  GLU   3           HG2      GLU   3  -5.634   9.843  -3.203
   25    HG3  GLU   3           HG1      GLU   3  -5.125  10.724  -1.766
   26    H    THR   4           H        THR   4  -4.059   7.415   0.830
   27    HA   THR   4           HA       THR   4  -2.635   5.049   0.061
   28    HB   THR   4           HB       THR   4  -3.008   6.045   2.860
   29    HG1  THR   4           HG1      THR   4  -1.089   7.260   2.431
   30   HG21  THR   4          HG21      THR   4  -0.762   4.612   1.443
   31   HG22  THR   4          HG22      THR   4  -1.876   3.902   2.613
   32   HG23  THR   4          HG23      THR   4  -0.720   5.137   3.122
   33    H    GLU   5           H        GLU   5  -5.559   5.847   1.868
   34    HA   GLU   5           HA       GLU   5  -6.032   3.311   2.996
   35    HB2  GLU   5           HB2      GLU   5  -8.077   5.365   2.165
   36    HB3  GLU   5           HB1      GLU   5  -8.375   3.996   3.223
   37    HG2  GLU   5           HG2      GLU   5  -6.647   4.940   4.749
   38    HG3  GLU   5           HG1      GLU   5  -6.657   6.394   3.760
   39    H    ILE   6           H        ILE   6  -7.309   4.790   0.061
   40    HA   ILE   6           HA       ILE   6  -8.763   2.637  -0.994
   41    HB   ILE   6           HB       ILE   6  -7.076   4.620  -2.545
   42   HG12  ILE   6          HG12      ILE   6  -9.984   4.866  -1.792
   43   HG13  ILE   6          HG11      ILE   6  -8.673   5.659  -0.921
   44   HG21  ILE   6          HG21      ILE   6  -8.672   4.244  -4.368
   45   HG22  ILE   6          HG22      ILE   6  -9.514   3.050  -3.386
   46   HG23  ILE   6          HG23      ILE   6  -7.857   2.747  -3.908
   47   HD11  ILE   6          HD11      ILE   6  -9.388   6.060  -3.802
   48   HD12  ILE   6          HD12      ILE   6  -8.029   6.786  -2.946
   49   HD13  ILE   6          HD13      ILE   6  -9.687   7.185  -2.463
   50    H    CYS   7           H        CYS   7  -5.466   3.603  -1.412
   51    HA   CYS   7           HA       CYS   7  -4.520   1.646  -3.071
   52    HB2  CYS   7           HB2      CYS   7  -3.246   3.619  -2.576
   53    HB3  CYS   7           HB1      CYS   7  -3.127   3.164  -0.884
   54    H    ARG   8           H        ARG   8  -4.445   1.573   0.531
   55    HA   ARG   8           HA       ARG   8  -3.389  -1.031   0.689
   56    HB2  ARG   8           HB2      ARG   8  -3.292   0.451   2.635
   57    HB3  ARG   8           HB1      ARG   8  -5.047   0.481   2.732
   58    HG2  ARG   8           HG2      ARG   8  -4.181  -1.006   4.437
   59    HG3  ARG   8           HG1      ARG   8  -5.035  -1.955   3.221
   60    HD2  ARG   8           HD2      ARG   8  -2.799  -2.390   2.143
   61    HD3  ARG   8           HD1      ARG   8  -2.050  -1.641   3.547
   62    HE   ARG   8           HE       ARG   8  -3.649  -4.115   3.573
   63   HH11  ARG   8          HH11      ARG   8  -1.276  -2.044   5.174
   64   HH12  ARG   8          HH12      ARG   8  -0.573  -3.283   6.095
   65   HH21  ARG   8          HH21      ARG   8  -2.655  -5.879   4.912
   66   HH22  ARG   8          HH22      ARG   8  -1.368  -5.475   5.939
   67    H    GLN   9           H        GLN   9  -6.712   0.170   0.675
   68    HA   GLN   9           HA       GLN   9  -7.935  -2.274   1.268
   69    HB2  GLN   9           HB2      GLN   9  -9.024   0.125  -0.188
   70    HB3  GLN   9           HB1      GLN   9  -9.998  -1.272   0.259
   71    HG2  GLN   9           HG2      GLN   9  -8.518   0.546   2.146
   72    HG3  GLN   9           HG1      GLN   9 -10.260   0.509   1.887
   73   HE21  GLN   9          1HE2      GLN   9  -8.723   0.074   4.315
   74   HE22  GLN   9          2HE2      GLN   9  -9.143  -1.497   4.883
   75    H    TRP  10           H        TRP  10  -7.034  -0.886  -1.819
   76    HA   TRP  10           HA       TRP  10  -8.226  -2.834  -3.458
   77    HB2  TRP  10           HB2      TRP  10  -7.269  -0.663  -4.262
   78    HB3  TRP  10           HB1      TRP  10  -5.662  -1.322  -3.976
   79    HD1  TRP  10           HD       TRP  10  -8.665  -1.680  -6.318
   80    HE1  TRP  10           HE1      TRP  10  -7.908  -2.857  -8.471
   81    HE3  TRP  10          3HE       TRP  10  -3.948  -2.924  -4.909
   82    HZ2  TRP  10           HZ2      TRP  10  -5.591  -4.157  -9.450
   83    HZ3  TRP  10           HZ3      TRP  10  -2.503  -4.141  -6.507
   84    HH2  TRP  10           HH       TRP  10  -3.315  -4.744  -8.728
   85    H    CYS  11           H        CYS  11  -4.887  -2.630  -2.259
   86    HA   CYS  11           HA       CYS  11  -4.191  -5.177  -3.227
   87    HB2  CYS  11           HB2      CYS  11  -2.899  -3.262  -1.361
   88    HB3  CYS  11           HB1      CYS  11  -2.321  -4.925  -1.373
   89    H    GLN  12           H        GLN  12  -5.706  -4.242  -0.251
   90    HA   GLN  12           HA       GLN  12  -5.200  -6.614   1.147
   91    HB2  GLN  12           HB2      GLN  12  -6.005  -4.567   2.221
   92    HB3  GLN  12           HB1      GLN  12  -7.545  -4.727   1.394
   93    HG2  GLN  12           HG2      GLN  12  -7.994  -6.788   2.602
   94    HG3  GLN  12           HG1      GLN  12  -6.433  -6.667   3.409
   95   HE21  GLN  12          1HE2      GLN  12  -9.631  -5.394   3.178
   96   HE22  GLN  12          2HE2      GLN  12  -9.600  -4.466   4.616
   97    H    VAL  13           H        VAL  13  -7.811  -5.685  -1.083
   98    HA   VAL  13           HA       VAL  13  -9.056  -8.277  -0.723
   99    HB   VAL  13           HB       VAL  13 -10.516  -6.295  -0.815
  100   HG11  VAL  13          HG11      VAL  13  -9.659  -6.039  -3.675
  101   HG12  VAL  13          HG12      VAL  13  -9.337  -4.899  -2.367
  102   HG13  VAL  13          3HG1      VAL  13 -10.991  -5.164  -2.923
  103   HG21  VAL  13          HG21      VAL  13 -10.977  -8.230  -3.074
  104   HG22  VAL  13          HG22      VAL  13 -12.203  -7.172  -2.376
  105   HG23  VAL  13          HG23      VAL  13 -11.471  -8.443  -1.395
  106    H    MET  14           H        MET  14  -7.272  -6.583  -3.239
  107    HA   MET  14           HA       MET  14  -7.799  -8.604  -5.227
  108    HB2  MET  14           HB2      MET  14  -5.924  -6.245  -5.236
  109    HB3  MET  14           HB1      MET  14  -6.161  -7.317  -6.606
  110    HG2  MET  14           HG2      MET  14  -8.325  -5.672  -5.313
  111    HG3  MET  14           HG1      MET  14  -7.427  -5.201  -6.749
  112    HE1  MET  14           HE1      MET  14  -7.155  -7.943  -8.357
  113    HE2  MET  14           HE2      MET  14  -7.600  -6.394  -9.070
  114    HE3  MET  14          3HE       MET  14  -8.580  -7.823  -9.389
  115    H    LYS  15           H        LYS  15  -5.354  -8.055  -2.839
  116    HA   LYS  15           HA       LYS  15  -3.806 -10.271  -3.979
  117    HB2  LYS  15           HB2      LYS  15  -2.805  -8.036  -2.195
  118    HB3  LYS  15           HB1      LYS  15  -1.839  -9.330  -2.860
  119    HG2  LYS  15           HG2      LYS  15  -3.156  -7.129  -4.443
  120    HG3  LYS  15           HG1      LYS  15  -1.462  -7.178  -3.970
  121    HD2  LYS  15           HD2      LYS  15  -1.280  -9.327  -5.265
  122    HD3  LYS  15           HD1      LYS  15  -2.911  -9.012  -5.868
  123    HE2  LYS  15           HE2      LYS  15  -2.126  -6.831  -6.745
  124    HE3  LYS  15           HE1      LYS  15  -0.501  -7.233  -6.205
  125    HZ1  LYS  15           HZ1      LYS  15  -2.087  -8.651  -8.262
  126    HZ2  LYS  15           HZ2      LYS  15  -0.583  -9.179  -7.700
  127    HZ3  LYS  15           HZ3      LYS  15  -0.708  -7.714  -8.519
  128    HA   PRO  16           HA       PRO  16  -5.075 -11.639   0.173
  129    HB2  PRO  16           HB2      PRO  16  -5.894 -14.159  -0.705
  130    HB3  PRO  16           HB1      PRO  16  -6.944 -12.761  -0.476
  131    HG2  PRO  16           HG2      PRO  16  -6.294 -14.025  -2.937
  132    HG3  PRO  16           HG1      PRO  16  -7.198 -12.520  -2.719
  133    HD2  PRO  16           HD2      PRO  16  -4.326 -12.924  -3.403
  134    HD3  PRO  16           HD1      PRO  16  -5.422 -11.592  -3.839
  135    H    GLN  17           H        GLN  17  -3.315 -12.185   1.390
  136    HA   GLN  17           HA       GLN  17  -1.696 -13.371   2.328
  137    HB2  GLN  17           HB2      GLN  17  -2.592 -15.557   0.443
  138    HB3  GLN  17           HB1      GLN  17  -1.364 -15.769   1.679
  139    HG2  GLN  17           HG2      GLN  17  -4.212 -14.971   2.216
  140    HG3  GLN  17           HG1      GLN  17  -3.576 -16.610   2.351
  141   HE21  GLN  17          1HE2      GLN  17  -3.653 -13.444   3.767
  142   HE22  GLN  17          2HE2      GLN  17  -2.885 -13.865   5.241
  143    H    GLY  18           H        GLY  18   0.327 -14.831   1.593
  144    HA2  GLY  18           HA2      GLY  18   1.936 -15.135  -0.211
  145    HA3  GLY  18           HA1      GLY  18   1.472 -13.543  -0.809
  146    H    GLY  19           H        GLY  19   1.449 -12.230   1.576
  147    HA2  GLY  19           HA2      GLY  19   2.821 -11.262   3.198
  148    HA3  GLY  19           HA1      GLY  19   3.984 -12.550   2.923
  149    H    GLU  20           H        GLU  20   4.991 -12.386   0.632
  150    HA   GLU  20           HA       GLU  20   6.473  -9.978   0.569
  151    HB2  GLU  20           HB2      GLU  20   7.580 -11.974  -0.075
  152    HB3  GLU  20           HB1      GLU  20   6.359 -12.356  -1.272
  153    HG2  GLU  20           HG2      GLU  20   7.072 -10.449  -2.603
  154    HG3  GLU  20           HG1      GLU  20   8.287 -10.069  -1.391
  155    H    GLU  21           H        GLU  21   3.900 -11.267  -1.459
  156    HA   GLU  21           HA       GLU  21   3.858  -9.219  -3.389
  157    HB2  GLU  21           HB2      GLU  21   2.615 -11.415  -3.491
  158    HB3  GLU  21           HB1      GLU  21   1.472 -10.751  -2.333
  159    HG2  GLU  21           HG2      GLU  21   0.529 -10.559  -4.506
  160    HG3  GLU  21           HG1      GLU  21   0.976  -8.941  -3.966
  161    H    GLN  22           H        GLN  22   2.462  -9.528  -0.229
  162    HA   GLN  22           HA       GLN  22   0.832  -7.190  -0.292
  163    HB2  GLN  22           HB2      GLN  22   1.939  -8.536   2.172
  164    HB3  GLN  22           HB1      GLN  22   0.473  -7.578   2.038
  165    HG2  GLN  22           HG2      GLN  22   0.963 -10.334   0.937
  166    HG3  GLN  22           HG1      GLN  22  -0.118  -9.885   2.250
  167   HE21  GLN  22          1HE2      GLN  22  -2.037  -8.850   1.753
  168   HE22  GLN  22          2HE2      GLN  22  -2.724  -8.934   0.167
  169    H    ARG  23           H        ARG  23   4.027  -8.028   0.935
  170    HA   ARG  23           HA       ARG  23   4.829  -5.675   2.112
  171    HB2  ARG  23           HB2      ARG  23   6.056  -7.775   2.244
  172    HB3  ARG  23           HB1      ARG  23   6.351  -7.737   0.518
  173    HG2  ARG  23           HG2      ARG  23   8.334  -7.151   1.661
  174    HG3  ARG  23           HG1      ARG  23   7.700  -5.725   0.830
  175    HD2  ARG  23           HD2      ARG  23   6.786  -4.883   2.910
  176    HD3  ARG  23           HD1      ARG  23   7.311  -6.339   3.756
  177    HE   ARG  23           HE       ARG  23   9.513  -5.173   2.524
  178   HH11  ARG  23          HH11      ARG  23   7.269  -4.469   5.171
  179   HH12  ARG  23          HH12      ARG  23   8.384  -3.615   6.107
  180   HH21  ARG  23          HH21      ARG  23  11.087  -4.000   3.817
  181   HH22  ARG  23          HH22      ARG  23  10.633  -3.326   5.315
  182    H    ARG  24           H        ARG  24   5.198  -6.808  -1.233
  183    HA   ARG  24           HA       ARG  24   6.412  -4.536  -2.277
  184    HB2  ARG  24           HB2      ARG  24   6.311  -6.732  -3.418
  185    HB3  ARG  24           HB1      ARG  24   4.596  -6.496  -3.694
  186    HG2  ARG  24           HG2      ARG  24   5.952  -6.048  -5.696
  187    HG3  ARG  24           HG1      ARG  24   5.045  -4.632  -5.168
  188    HD2  ARG  24           HD2      ARG  24   7.382  -4.119  -5.852
  189    HD3  ARG  24           HD1      ARG  24   7.021  -3.656  -4.194
  190    HE   ARG  24           HE       ARG  24   8.085  -6.139  -3.940
  191   HH11  ARG  24          HH11      ARG  24   9.274  -3.204  -5.565
  192   HH12  ARG  24          HH12      ARG  24  10.904  -3.527  -5.213
  193   HH21  ARG  24          HH21      ARG  24  10.287  -6.554  -3.480
  194   HH22  ARG  24          HH22      ARG  24  11.505  -5.482  -3.995
  195    H    CYS  25           H        CYS  25   2.973  -5.380  -2.013
  196    HA   CYS  25           HA       CYS  25   1.864  -3.173  -3.254
  197    HB2  CYS  25           HB2      CYS  25   0.912  -4.969  -1.080
  198    HB3  CYS  25           HB1      CYS  25   0.020  -3.486  -1.384
  199    H    GLN  26           H        GLN  26   2.631  -3.467   0.217
  200    HA   GLN  26           HA       GLN  26   1.894  -0.777   0.657
  201    HB2  GLN  26           HB2      GLN  26   3.286  -2.777   2.376
  202    HB3  GLN  26           HB1      GLN  26   3.221  -1.093   2.868
  203    HG2  GLN  26           HG2      GLN  26   1.447  -2.325   3.939
  204    HG3  GLN  26           HG1      GLN  26   0.765  -1.179   2.798
  205   HE21  GLN  26          1HE2      GLN  26   1.300  -4.501   3.542
  206   HE22  GLN  26          2HE2      GLN  26   0.211  -5.152   2.380
  207    H    GLN  27           H        GLN  27   4.965  -2.250  -0.111
  208    HA   GLN  27           HA       GLN  27   6.557   0.020   0.386
  209    HB2  GLN  27           HB2      GLN  27   6.952  -2.122  -1.718
  210    HB3  GLN  27           HB1      GLN  27   8.139  -0.901  -1.300
  211    HG2  GLN  27           HG2      GLN  27   7.121  -3.122   0.451
  212    HG3  GLN  27           HG1      GLN  27   8.728  -2.960  -0.252
  213   HE21  GLN  27          1HE2      GLN  27  10.124  -1.383   0.590
  214   HE22  GLN  27          2HE2      GLN  27   9.878  -0.706   2.153
  215    H    GLU  28           H        GLU  28   4.911  -1.047  -2.573
  216    HA   GLU  28           HA       GLU  28   5.663   1.265  -4.037
  217    HB2  GLU  28           HB2      GLU  28   3.457  -0.709  -4.541
  218    HB3  GLU  28           HB1      GLU  28   3.968   0.528  -5.675
  219    HG2  GLU  28           HG2      GLU  28   6.251  -0.544  -5.611
  220    HG3  GLU  28           HG1      GLU  28   5.491  -1.870  -4.728
  221    H    CYS  29           H        CYS  29   2.986   0.467  -2.003
  222    HA   CYS  29           HA       CYS  29   1.215   2.500  -2.723
  223    HB2  CYS  29           HB2      CYS  29   0.810   0.460  -1.231
  224    HB3  CYS  29           HB1      CYS  29   1.565   1.388   0.060
  225    H    GLU  30           H        GLU  30   3.656   2.365  -0.091
  226    HA   GLU  30           HA       GLU  30   3.286   5.097   0.546
  227    HB2  GLU  30           HB2      GLU  30   5.486   3.177   1.312
  228    HB3  GLU  30           HB1      GLU  30   5.349   4.813   1.942
  229    HG2  GLU  30           HG2      GLU  30   3.137   4.242   2.870
  230    HG3  GLU  30           HG1      GLU  30   3.350   2.590   2.298
  231    H    GLU  31           H        GLU  31   5.266   3.401  -1.717
  232    HA   GLU  31           HA       GLU  31   7.155   5.397  -2.315
  233    HB2  GLU  31           HB2      GLU  31   7.109   2.970  -3.112
  234    HB3  GLU  31           HB1      GLU  31   5.929   3.489  -4.305
  235    HG2  GLU  31           HG2      GLU  31   8.055   3.408  -5.356
  236    HG3  GLU  31           HG1      GLU  31   7.616   5.106  -5.162
  237    H    ARG  32           H        ARG  32   3.924   4.708  -3.569
  238    HA   ARG  32           HA       ARG  32   3.800   6.860  -5.420
  239    HB2  ARG  32           HB2      ARG  32   2.270   4.945  -5.611
  240    HB3  ARG  32           HB1      ARG  32   1.548   5.351  -4.060
  241    HG2  ARG  32           HG2      ARG  32   0.773   7.480  -4.986
  242    HG3  ARG  32           HG1      ARG  32   1.471   7.050  -6.542
  243    HD2  ARG  32           HD2      ARG  32  -0.046   5.145  -6.699
  244    HD3  ARG  32           HD1      ARG  32  -0.720   5.544  -5.117
  245    HE   ARG  32           HE       ARG  32  -1.102   7.816  -6.351
  246   HH11  ARG  32          HH11      ARG  32  -1.764   4.557  -7.557
  247   HH12  ARG  32          HH12      ARG  32  -3.013   5.045  -8.603
  248   HH21  ARG  32          HH21      ARG  32  -2.819   8.468  -7.793
  249   HH22  ARG  32          HH22      ARG  32  -3.636   7.321  -8.733
  250    H    LEU  33           H        LEU  33   2.864   6.465  -2.069
  251    HA   LEU  33           HA       LEU  33   1.665   8.978  -1.675
  252    HB2  LEU  33           HB2      LEU  33   1.464   7.128  -0.067
  253    HB3  LEU  33           HB1      LEU  33   3.178   7.233   0.274
  254    HG   LEU  33           HG       LEU  33   2.861   9.423   1.316
  255   HD11  LEU  33          HD11      LEU  33   0.617  10.290   1.713
  256   HD12  LEU  33          HD12      LEU  33  -0.060   8.998   0.716
  257   HD13  LEU  33          HD13      LEU  33   0.985  10.220  -0.010
  258   HD21  LEU  33          HD21      LEU  33   2.670   7.399   2.681
  259   HD22  LEU  33          HD22      LEU  33   0.939   7.346   2.358
  260   HD23  LEU  33          HD23      LEU  33   1.625   8.685   3.277
  261    H    ARG  34           H        ARG  34   4.965   7.864  -1.552
  262    HA   ARG  34           HA       ARG  34   6.887   8.845  -2.090
  263    HB2  ARG  34           HB2      ARG  34   5.551  10.283  -3.613
  264    HB3  ARG  34           HB1      ARG  34   5.370  11.435  -2.308
  265    HG2  ARG  34           HG2      ARG  34   7.772  11.814  -2.303
  266    HG3  ARG  34           HG1      ARG  34   7.956  10.639  -3.614
  267    HD2  ARG  34           HD2      ARG  34   6.363  11.992  -4.952
  268    HD3  ARG  34           HD1      ARG  34   6.403  13.206  -3.679
  269    HE   ARG  34           HE       ARG  34   9.012  12.758  -4.406
  270   HH11  ARG  34          HH11      ARG  34   6.040  13.952  -5.902
  271   HH12  ARG  34          HH12      ARG  34   6.819  14.872  -7.095
  272   HH21  ARG  34          HH21      ARG  34  10.101  14.021  -6.032
  273   HH22  ARG  34          HH22      ARG  34   9.211  14.903  -7.190
  274    H    ASP  35           H        ASP  35   8.385   9.023  -0.700
  275    HA   ASP  35           HA       ASP  35   9.611   9.440   1.114
  276    HB2  ASP  35           HB2      ASP  35   7.958  11.974   1.453
  277    HB3  ASP  35           HB1      ASP  35   9.456  11.618   2.285
  Start of MODEL    6
    1    H    PCA   1           H        PGL   1  -7.357  11.661   2.005
    2    HA   PCA   1           HA       PGL   1  -6.306   9.698   3.175
    3    HB2  PCA   1           HB1      PGL   1  -7.044   9.566   5.326
    4    HB3  PCA   1           HB2      PGL   1  -8.549   8.840   4.696
    5    HG2  PCA   1           HG1      PGL   1  -8.172  11.499   5.802
    6    HG3  PCA   1           HG2      PGL   1  -9.682  10.748   5.176
    7    H    LYS   2           H        LYS   2  -8.752  10.348   1.167
    8    HA   LYS   2           HA       LYS   2 -10.007   7.809   0.977
    9    HB2  LYS   2           HB2      LYS   2  -9.987  10.151  -0.914
   10    HB3  LYS   2           HB1      LYS   2 -10.971   8.712  -1.126
   11    HG2  LYS   2           HG2      LYS   2 -12.062   9.201   1.051
   12    HG3  LYS   2           HG1      LYS   2 -11.134  10.697   1.126
   13    HD2  LYS   2           HD2      LYS   2 -12.189  11.491  -0.906
   14    HD3  LYS   2           HD1      LYS   2 -13.051   9.962  -1.083
   15    HE2  LYS   2           HE2      LYS   2 -14.185  10.395   1.072
   16    HE3  LYS   2           HE1      LYS   2 -13.370  11.949   1.166
   17    HZ1  LYS   2           HZ1      LYS   2 -14.515  12.645  -0.845
   18    HZ2  LYS   2           HZ2      LYS   2 -15.651  12.090   0.289
   19    HZ3  LYS   2           HZ3      LYS   2 -15.218  11.126  -0.992
   20    H    GLU   3           H        GLU   3  -7.409   9.423  -0.790
   21    HA   GLU   3           HA       GLU   3  -7.119   7.346  -2.712
   22    HB2  GLU   3           HB2      GLU   3  -6.320   9.664  -3.076
   23    HB3  GLU   3           HB1      GLU   3  -5.148   9.460  -1.790
   24    HG2  GLU   3           HG2      GLU   3  -4.057   9.296  -3.892
   25    HG3  GLU   3           HG1      GLU   3  -4.058   7.717  -3.106
   26    H    THR   4           H        THR   4  -5.913   8.063   0.345
   27    HA   THR   4           HA       THR   4  -3.899   6.107   0.670
   28    HB   THR   4           HB       THR   4  -5.731   7.168   2.796
   29    HG1  THR   4           HG1      THR   4  -3.716   8.720   2.890
   30   HG21  THR   4          HG21      THR   4  -4.229   5.389   3.552
   31   HG22  THR   4          HG22      THR   4  -3.729   6.931   4.252
   32   HG23  THR   4          HG23      THR   4  -2.845   6.255   2.885
   33    H    GLU   5           H        GLU   5  -7.368   6.136   1.359
   34    HA   GLU   5           HA       GLU   5  -7.567   3.605   2.532
   35    HB2  GLU   5           HB2      GLU   5  -9.233   5.450   2.689
   36    HB3  GLU   5           HB1      GLU   5  -9.671   5.138   1.020
   37    HG2  GLU   5           HG2      GLU   5 -10.377   2.883   1.636
   38    HG3  GLU   5           HG1      GLU   5  -9.960   3.226   3.315
   39    H    ILE   6           H        ILE   6  -8.045   4.725  -0.790
   40    HA   ILE   6           HA       ILE   6  -8.776   2.268  -1.964
   41    HB   ILE   6           HB       ILE   6  -7.159   4.504  -3.224
   42   HG12  ILE   6          HG12      ILE   6 -10.149   4.097  -3.326
   43   HG13  ILE   6          HG11      ILE   6  -9.352   5.207  -2.214
   44   HG21  ILE   6          HG21      ILE   6  -8.851   2.347  -4.499
   45   HG22  ILE   6          HG22      ILE   6  -7.090   2.446  -4.541
   46   HG23  ILE   6          HG23      ILE   6  -8.063   3.670  -5.358
   47   HD11  ILE   6          HD11      ILE   6  -9.296   5.324  -5.211
   48   HD12  ILE   6          HD12      ILE   6  -8.379   6.352  -4.119
   49   HD13  ILE   6          HD13      ILE   6 -10.151   6.432  -4.115
   50    H    CYS   7           H        CYS   7  -5.668   3.884  -1.722
   51    HA   CYS   7           HA       CYS   7  -3.940   2.052  -2.822
   52    HB2  CYS   7           HB2      CYS   7  -3.407   4.379  -1.955
   53    HB3  CYS   7           HB1      CYS   7  -3.334   3.687  -0.345
   54    H    ARG   8           H        ARG   8  -5.087   2.122   0.546
   55    HA   ARG   8           HA       ARG   8  -3.653  -0.226   1.245
   56    HB2  ARG   8           HB2      ARG   8  -4.250   1.290   3.019
   57    HB3  ARG   8           HB1      ARG   8  -5.958   1.156   2.627
   58    HG2  ARG   8           HG2      ARG   8  -5.405  -0.129   4.633
   59    HG3  ARG   8           HG1      ARG   8  -5.954  -1.185   3.331
   60    HD2  ARG   8           HD2      ARG   8  -3.567  -1.649   2.794
   61    HD3  ARG   8           HD1      ARG   8  -3.112  -0.710   4.215
   62    HE   ARG   8           HE       ARG   8  -4.870  -3.053   4.482
   63   HH11  ARG   8          HH11      ARG   8  -1.820  -1.421   5.286
   64   HH12  ARG   8          HH12      ARG   8  -1.359  -2.583   6.426
   65   HH21  ARG   8          HH21      ARG   8  -4.215  -4.619   6.026
   66   HH22  ARG   8          HH22      ARG   8  -2.706  -4.451   6.837
   67    H    GLN   9           H        GLN   9  -6.994   0.390   0.308
   68    HA   GLN   9           HA       GLN   9  -8.013  -2.137   0.897
   69    HB2  GLN   9           HB2      GLN   9  -9.425  -0.146   0.497
   70    HB3  GLN   9           HB1      GLN   9  -9.012  -0.221  -1.206
   71    HG2  GLN   9           HG2      GLN   9 -11.217  -1.158  -0.786
   72    HG3  GLN   9           HG1      GLN   9 -10.108  -2.372  -1.411
   73   HE21  GLN   9          1HE2      GLN   9 -10.050  -1.294   1.944
   74   HE22  GLN   9          2HE2      GLN   9 -10.651  -2.762   2.605
   75    H    TRP  10           H        TRP  10  -6.585  -0.930  -2.103
   76    HA   TRP  10           HA       TRP  10  -7.221  -3.068  -3.786
   77    HB2  TRP  10           HB2      TRP  10  -6.171  -0.881  -4.486
   78    HB3  TRP  10           HB1      TRP  10  -4.655  -1.471  -3.829
   79    HD1  TRP  10           HD       TRP  10  -7.102  -2.162  -6.718
   80    HE1  TRP  10           HE1      TRP  10  -5.830  -3.418  -8.573
   81    HE3  TRP  10          3HE       TRP  10  -2.720  -2.929  -4.294
   82    HZ2  TRP  10           HZ2      TRP  10  -3.283  -4.575  -8.959
   83    HZ3  TRP  10           HZ3      TRP  10  -0.884  -4.121  -5.463
   84    HH2  TRP  10           HH       TRP  10  -1.173  -4.926  -7.750
   85    H    CYS  11           H        CYS  11  -4.392  -2.655  -1.723
   86    HA   CYS  11           HA       CYS  11  -3.382  -5.250  -2.352
   87    HB2  CYS  11           HB2      CYS  11  -2.620  -3.241  -0.254
   88    HB3  CYS  11           HB1      CYS  11  -1.744  -4.743  -0.549
   89    H    GLN  12           H        GLN  12  -5.425  -3.913   0.128
   90    HA   GLN  12           HA       GLN  12  -5.114  -5.971   2.019
   91    HB2  GLN  12           HB2      GLN  12  -6.050  -3.748   2.560
   92    HB3  GLN  12           HB1      GLN  12  -7.496  -4.157   1.647
   93    HG2  GLN  12           HG2      GLN  12  -7.828  -4.432   4.057
   94    HG3  GLN  12           HG1      GLN  12  -8.000  -5.960   3.191
   95   HE21  GLN  12          1HE2      GLN  12  -6.415  -7.545   3.448
   96   HE22  GLN  12          2HE2      GLN  12  -5.261  -7.475   4.747
   97    H    VAL  13           H        VAL  13  -7.422  -5.447  -0.617
   98    HA   VAL  13           HA       VAL  13  -8.790  -7.918  -0.025
   99    HB   VAL  13           HB       VAL  13  -9.971  -5.862  -0.903
  100   HG11  VAL  13          HG11      VAL  13  -9.999  -5.424  -3.303
  101   HG12  VAL  13          HG12      VAL  13  -8.691  -6.587  -3.512
  102   HG13  VAL  13          3HG1      VAL  13  -8.423  -5.121  -2.570
  103   HG21  VAL  13          HG21      VAL  13 -11.102  -7.994  -0.953
  104   HG22  VAL  13          HG22      VAL  13 -10.332  -8.394  -2.487
  105   HG23  VAL  13          HG23      VAL  13 -11.505  -7.078  -2.408
  106    H    MET  14           H        MET  14  -6.169  -6.875  -1.972
  107    HA   MET  14           HA       MET  14  -6.045  -8.879  -3.935
  108    HB2  MET  14           HB2      MET  14  -4.564  -6.949  -4.012
  109    HB3  MET  14           HB1      MET  14  -3.844  -7.403  -2.477
  110    HG2  MET  14           HG2      MET  14  -2.955  -9.447  -3.549
  111    HG3  MET  14           HG1      MET  14  -3.590  -8.873  -5.091
  112    HE1  MET  14           HE1      MET  14   0.313  -8.405  -5.341
  113    HE2  MET  14           HE2      MET  14  -1.099  -9.207  -6.028
  114    HE3  MET  14          3HE       MET  14  -0.517  -9.659  -4.425
  115    H    LYS  15           H        LYS  15  -4.458  -8.708  -0.751
  116    HA   LYS  15           HA       LYS  15  -4.966 -11.488  -0.367
  117    HB2  LYS  15           HB2      LYS  15  -2.836 -11.587  -1.594
  118    HB3  LYS  15           HB1      LYS  15  -2.112 -10.477  -0.444
  119    HG2  LYS  15           HG2      LYS  15  -1.451 -12.825  -0.047
  120    HG3  LYS  15           HG1      LYS  15  -2.296 -12.116   1.330
  121    HD2  LYS  15           HD2      LYS  15  -4.352 -13.236   0.683
  122    HD3  LYS  15           HD1      LYS  15  -3.582 -13.882  -0.762
  123    HE2  LYS  15           HE2      LYS  15  -2.800 -14.492   2.086
  124    HE3  LYS  15           HE1      LYS  15  -3.755 -15.542   1.047
  125    HZ1  LYS  15           HZ1      LYS  15  -0.928 -14.737   0.615
  126    HZ2  LYS  15           HZ2      LYS  15  -1.819 -15.633  -0.478
  127    HZ3  LYS  15           HZ3      LYS  15  -1.471 -16.266   1.043
  128    HA   PRO  16           HA       PRO  16  -5.415  -9.311   3.582
  129    HB2  PRO  16           HB2      PRO  16  -6.677 -11.940   4.163
  130    HB3  PRO  16           HB1      PRO  16  -7.305 -10.315   4.460
  131    HG2  PRO  16           HG2      PRO  16  -8.304 -11.823   2.504
  132    HG3  PRO  16           HG1      PRO  16  -8.083 -10.076   2.289
  133    HD2  PRO  16           HD2      PRO  16  -6.410 -12.335   1.272
  134    HD3  PRO  16           HD1      PRO  16  -6.873 -10.819   0.469
  135    H    GLN  17           H        GLN  17  -3.660  -9.377   4.795
  136    HA   GLN  17           HA       GLN  17  -1.781  -9.969   5.773
  137    HB2  GLN  17           HB2      GLN  17  -3.282 -12.534   6.277
  138    HB3  GLN  17           HB1      GLN  17  -1.694 -12.198   6.953
  139    HG2  GLN  17           HG2      GLN  17  -2.579 -10.278   8.128
  140    HG3  GLN  17           HG1      GLN  17  -4.165 -10.548   7.405
  141   HE21  GLN  17          1HE2      GLN  17  -5.075 -10.733   9.410
  142   HE22  GLN  17          2HE2      GLN  17  -4.911 -12.129  10.394
  143    H    GLY  18           H        GLY  18  -0.846  -9.721   3.750
  144    HA2  GLY  18           HA2      GLY  18   0.113 -12.229   2.563
  145    HA3  GLY  18           HA1      GLY  18   0.108 -10.656   1.764
  146    H    GLY  19           H        GLY  19   2.388 -12.163   1.851
  147    HA2  GLY  19           HA2      GLY  19   3.985 -10.987   3.993
  148    HA3  GLY  19           HA1      GLY  19   4.455 -12.344   2.975
  149    H    GLU  20           H        GLU  20   5.227 -11.974   0.927
  150    HA   GLU  20           HA       GLU  20   6.949  -9.763   0.728
  151    HB2  GLU  20           HB2      GLU  20   7.344 -12.047  -0.229
  152    HB3  GLU  20           HB1      GLU  20   6.177 -11.669  -1.483
  153    HG2  GLU  20           HG2      GLU  20   8.341 -11.343  -2.389
  154    HG3  GLU  20           HG1      GLU  20   7.614  -9.757  -2.147
  155    H    GLU  21           H        GLU  21   3.969 -10.533  -1.082
  156    HA   GLU  21           HA       GLU  21   4.097  -8.252  -2.754
  157    HB2  GLU  21           HB2      GLU  21   1.732  -9.961  -1.984
  158    HB3  GLU  21           HB1      GLU  21   1.670  -8.668  -3.162
  159    HG2  GLU  21           HG2      GLU  21   3.542 -10.994  -3.389
  160    HG3  GLU  21           HG1      GLU  21   1.932 -10.947  -4.108
  161    H    GLN  22           H        GLN  22   2.603  -8.803   0.350
  162    HA   GLN  22           HA       GLN  22   1.272  -6.287   0.389
  163    HB2  GLN  22           HB2      GLN  22   0.647  -8.273   1.790
  164    HB3  GLN  22           HB1      GLN  22   2.072  -7.975   2.766
  165    HG2  GLN  22           HG2      GLN  22   1.183  -5.788   3.390
  166    HG3  GLN  22           HG1      GLN  22  -0.248  -6.091   2.405
  167   HE21  GLN  22          1HE2      GLN  22   1.389  -6.821   5.332
  168   HE22  GLN  22          2HE2      GLN  22   0.102  -7.695   6.081
  169    H    ARG  23           H        ARG  23   4.442  -7.437   1.374
  170    HA   ARG  23           HA       ARG  23   5.365  -5.157   2.716
  171    HB2  ARG  23           HB2      ARG  23   6.487  -7.340   2.774
  172    HB3  ARG  23           HB1      ARG  23   6.822  -7.213   1.059
  173    HG2  ARG  23           HG2      ARG  23   8.229  -5.286   1.466
  174    HG3  ARG  23           HG1      ARG  23   7.904  -5.421   3.198
  175    HD2  ARG  23           HD2      ARG  23   9.170  -7.571   1.507
  176    HD3  ARG  23           HD1      ARG  23  10.060  -6.459   2.545
  177    HE   ARG  23           HE       ARG  23   8.607  -7.415   4.375
  178   HH11  ARG  23          HH11      ARG  23   9.439  -9.402   1.528
  179   HH12  ARG  23          HH12      ARG  23   9.619 -10.827   2.435
  180   HH21  ARG  23          HH21      ARG  23   8.838  -9.374   5.577
  181   HH22  ARG  23          HH22      ARG  23   9.254 -10.830   4.789
  182    H    ARG  24           H        ARG  24   5.458  -6.177  -0.667
  183    HA   ARG  24           HA       ARG  24   6.756  -3.988  -1.799
  184    HB2  ARG  24           HB2      ARG  24   6.344  -5.905  -3.159
  185    HB3  ARG  24           HB1      ARG  24   4.604  -5.809  -2.910
  186    HG2  ARG  24           HG2      ARG  24   4.523  -3.757  -4.215
  187    HG3  ARG  24           HG1      ARG  24   6.270  -3.795  -4.412
  188    HD2  ARG  24           HD2      ARG  24   5.089  -4.586  -6.414
  189    HD3  ARG  24           HD1      ARG  24   6.112  -5.829  -5.712
  190    HE   ARG  24           HE       ARG  24   4.270  -7.091  -5.242
  191   HH11  ARG  24          HH11      ARG  24   2.989  -3.826  -5.986
  192   HH12  ARG  24          HH12      ARG  24   1.522  -4.408  -6.590
  193   HH21  ARG  24          HH21      ARG  24   2.213  -7.852  -6.097
  194   HH22  ARG  24          HH22      ARG  24   1.039  -6.752  -6.642
  195    H    CYS  25           H        CYS  25   3.318  -4.535  -1.236
  196    HA   CYS  25           HA       CYS  25   2.340  -2.133  -2.163
  197    HB2  CYS  25           HB2      CYS  25   1.356  -3.988  -0.040
  198    HB3  CYS  25           HB1      CYS  25   0.483  -2.519  -0.462
  199    H    GLN  26           H        GLN  26   3.613  -2.862   1.048
  200    HA   GLN  26           HA       GLN  26   3.001  -0.438   2.291
  201    HB2  GLN  26           HB2      GLN  26   5.449  -2.154   2.647
  202    HB3  GLN  26           HB1      GLN  26   4.944  -0.885   3.748
  203    HG2  GLN  26           HG2      GLN  26   2.903  -2.128   4.216
  204    HG3  GLN  26           HG1      GLN  26   3.438  -3.414   3.128
  205   HE21  GLN  26          1HE2      GLN  26   3.520  -4.950   4.726
  206   HE22  GLN  26          2HE2      GLN  26   4.687  -4.925   5.992
  207    H    GLN  27           H        GLN  27   5.871  -1.371   0.483
  208    HA   GLN  27           HA       GLN  27   7.206   1.102   0.693
  209    HB2  GLN  27           HB2      GLN  27   8.427  -0.900   0.152
  210    HB3  GLN  27           HB1      GLN  27   7.475  -1.137  -1.306
  211    HG2  GLN  27           HG2      GLN  27   8.429   0.889  -2.267
  212    HG3  GLN  27           HG1      GLN  27   9.375   1.144  -0.802
  213   HE21  GLN  27          1HE2      GLN  27  11.296   1.021  -1.924
  214   HE22  GLN  27          2HE2      GLN  27  11.908  -0.471  -2.541
  215    H    GLU  28           H        GLU  28   5.245  -0.295  -1.925
  216    HA   GLU  28           HA       GLU  28   5.479   1.868  -3.673
  217    HB2  GLU  28           HB2      GLU  28   3.198  -0.085  -3.419
  218    HB3  GLU  28           HB1      GLU  28   3.408   1.041  -4.746
  219    HG2  GLU  28           HG2      GLU  28   5.581  -0.086  -5.242
  220    HG3  GLU  28           HG1      GLU  28   5.150  -1.298  -4.031
  221    H    CYS  29           H        CYS  29   3.005   1.174  -1.217
  222    HA   CYS  29           HA       CYS  29   1.378   3.335  -1.925
  223    HB2  CYS  29           HB2      CYS  29   0.762   1.309  -0.470
  224    HB3  CYS  29           HB1      CYS  29   1.504   2.192   0.860
  225    H    GLU  30           H        GLU  30   4.012   3.084   0.474
  226    HA   GLU  30           HA       GLU  30   3.579   5.640   1.568
  227    HB2  GLU  30           HB2      GLU  30   6.135   4.075   1.405
  228    HB3  GLU  30           HB1      GLU  30   5.898   5.516   2.375
  229    HG2  GLU  30           HG2      GLU  30   4.130   4.299   3.616
  230    HG3  GLU  30           HG1      GLU  30   4.569   2.850   2.708
  231    H    GLU  31           H        GLU  31   5.523   4.578  -1.174
  232    HA   GLU  31           HA       GLU  31   6.654   7.226  -1.387
  233    HB2  GLU  31           HB2      GLU  31   7.075   4.863  -3.213
  234    HB3  GLU  31           HB1      GLU  31   8.035   6.335  -3.166
  235    HG2  GLU  31           HG2      GLU  31   7.854   4.206  -1.039
  236    HG3  GLU  31           HG1      GLU  31   9.246   4.598  -2.041
  237    H    ARG  32           H        ARG  32   4.177   5.376  -2.972
  238    HA   ARG  32           HA       ARG  32   3.958   7.146  -5.225
  239    HB2  ARG  32           HB2      ARG  32   3.383   4.727  -5.283
  240    HB3  ARG  32           HB1      ARG  32   2.047   5.057  -4.208
  241    HG2  ARG  32           HG2      ARG  32   0.932   6.354  -5.881
  242    HG3  ARG  32           HG1      ARG  32   2.335   6.243  -6.954
  243    HD2  ARG  32           HD2      ARG  32   0.667   3.933  -5.975
  244    HD3  ARG  32           HD1      ARG  32   0.624   4.623  -7.599
  245    HE   ARG  32           HE       ARG  32   3.151   4.037  -7.450
  246   HH11  ARG  32          HH11      ARG  32   0.436   2.007  -6.399
  247   HH12  ARG  32          HH12      ARG  32   1.236   0.530  -6.671
  248   HH21  ARG  32          HH21      ARG  32   4.263   2.001  -7.794
  249   HH22  ARG  32          HH22      ARG  32   3.508   0.525  -7.444
  250    H    LEU  33           H        LEU  33   2.141   6.586  -2.246
  251    HA   LEU  33           HA       LEU  33   0.249   8.675  -2.838
  252    HB2  LEU  33           HB2      LEU  33  -0.467   6.739  -1.616
  253    HB3  LEU  33           HB1      LEU  33   0.787   6.972  -0.423
  254    HG   LEU  33           HG       LEU  33  -0.366   9.101   0.233
  255   HD11  LEU  33          HD11      LEU  33  -1.655   9.458  -1.784
  256   HD12  LEU  33          HD12      LEU  33  -2.703   9.363  -0.368
  257   HD13  LEU  33          HD13      LEU  33  -2.581   7.990  -1.469
  258   HD21  LEU  33          HD21      LEU  33  -1.830   6.499   0.509
  259   HD22  LEU  33          HD22      LEU  33  -2.095   7.928   1.506
  260   HD23  LEU  33          HD23      LEU  33  -0.539   7.102   1.546
  261    H    ARG  34           H        ARG  34   2.892   8.113  -0.559
  262    HA   ARG  34           HA       ARG  34   4.123   9.375   0.757
  263    HB2  ARG  34           HB2      ARG  34   3.501  11.489  -1.286
  264    HB3  ARG  34           HB1      ARG  34   4.560  11.791   0.076
  265    HG2  ARG  34           HG2      ARG  34   5.942   9.839  -0.740
  266    HG3  ARG  34           HG1      ARG  34   4.964   9.888  -2.208
  267    HD2  ARG  34           HD2      ARG  34   7.016  11.166  -2.502
  268    HD3  ARG  34           HD1      ARG  34   5.604  12.223  -2.551
  269    HE   ARG  34           HE       ARG  34   6.649  12.038   0.069
  270   HH11  ARG  34          HH11      ARG  34   7.315  13.578  -3.046
  271   HH12  ARG  34          HH12      ARG  34   8.095  14.935  -2.377
  272   HH21  ARG  34          HH21      ARG  34   7.735  13.934   1.000
  273   HH22  ARG  34          HH22      ARG  34   8.350  15.143  -0.007
  274    H    ASP  35           H        ASP  35   4.190  11.507   2.039
  275    HA   ASP  35           HA       ASP  35   1.707  12.722   2.598
  276    HB2  ASP  35           HB2      ASP  35   1.535  10.693   4.057
  277    HB3  ASP  35           HB1      ASP  35   3.035  11.174   4.845
  Start of MODEL    7
    1    H    PCA   1           H        PGL   1  -5.764  10.664   4.047
    2    HA   PCA   1           HA       PGL   1  -4.959   8.504   5.303
    3    HB2  PCA   1           HB1      PGL   1  -5.893   8.257   7.357
    4    HB3  PCA   1           HB2      PGL   1  -7.534   8.396   6.665
    5    HG2  PCA   1           HG1      PGL   1  -6.001  10.428   8.076
    6    HG3  PCA   1           HG2      PGL   1  -7.667  10.539   7.408
    7    H    LYS   2           H        LYS   2  -7.582   9.815   3.579
    8    HA   LYS   2           HA       LYS   2  -9.019   7.423   3.109
    9    HB2  LYS   2           HB2      LYS   2  -9.955   9.729   2.836
   10    HB3  LYS   2           HB1      LYS   2  -8.919   9.925   1.430
   11    HG2  LYS   2           HG2      LYS   2 -10.026   8.068   0.345
   12    HG3  LYS   2           HG1      LYS   2 -11.081   7.881   1.750
   13    HD2  LYS   2           HD2      LYS   2 -11.905  10.179   1.397
   14    HD3  LYS   2           HD1      LYS   2 -10.899  10.297  -0.048
   15    HE2  LYS   2           HE2      LYS   2 -12.108   8.375  -1.008
   16    HE3  LYS   2           HE1      LYS   2 -13.152   8.347   0.411
   17    HZ1  LYS   2           HZ1      LYS   2 -14.208   9.524  -1.405
   18    HZ2  LYS   2           HZ2      LYS   2 -12.910  10.590  -1.520
   19    HZ3  LYS   2           HZ3      LYS   2 -13.876  10.598  -0.153
   20    H    GLU   3           H        GLU   3  -6.424   9.133   1.483
   21    HA   GLU   3           HA       GLU   3  -6.379   7.472  -0.802
   22    HB2  GLU   3           HB2      GLU   3  -4.254   9.253   0.378
   23    HB3  GLU   3           HB1      GLU   3  -4.053   8.390  -1.132
   24    HG2  GLU   3           HG2      GLU   3  -6.000   9.595  -2.042
   25    HG3  GLU   3           HG1      GLU   3  -6.117  10.490  -0.527
   26    H    THR   4           H        THR   4  -5.120   7.209   2.291
   27    HA   THR   4           HA       THR   4  -3.293   5.076   1.878
   28    HB   THR   4           HB       THR   4  -4.866   5.760   4.340
   29    HG1  THR   4           HG1      THR   4  -2.267   6.608   4.242
   30   HG21  THR   4          HG21      THR   4  -2.211   4.350   4.010
   31   HG22  THR   4          HG22      THR   4  -3.734   3.586   4.468
   32   HG23  THR   4          HG23      THR   4  -2.966   4.747   5.554
   33    H    GLU   5           H        GLU   5  -6.680   5.263   2.926
   34    HA   GLU   5           HA       GLU   5  -7.100   2.525   3.316
   35    HB2  GLU   5           HB2      GLU   5  -9.112   4.668   2.647
   36    HB3  GLU   5           HB1      GLU   5  -9.488   3.078   3.295
   37    HG2  GLU   5           HG2      GLU   5  -7.900   5.235   4.667
   38    HG3  GLU   5           HG1      GLU   5  -9.548   4.739   5.046
   39    H    ILE   6           H        ILE   6  -7.903   4.575   0.545
   40    HA   ILE   6           HA       ILE   6  -9.070   2.653  -1.140
   41    HB   ILE   6           HB       ILE   6  -7.277   4.955  -1.964
   42   HG12  ILE   6          HG12      ILE   6 -10.290   4.938  -1.727
   43   HG13  ILE   6          HG11      ILE   6  -9.209   5.594  -0.501
   44   HG21  ILE   6          HG21      ILE   6  -7.636   3.392  -3.794
   45   HG22  ILE   6          HG22      ILE   6  -8.512   4.891  -4.099
   46   HG23  ILE   6          HG23      ILE   6  -9.377   3.461  -3.540
   47   HD11  ILE   6          HD11      ILE   6 -10.085   7.357  -1.912
   48   HD12  ILE   6          HD12      ILE   6  -9.439   6.528  -3.340
   49   HD13  ILE   6          HD13      ILE   6  -8.338   7.159  -2.114
   50    H    CYS   7           H        CYS   7  -5.769   3.787  -1.012
   51    HA   CYS   7           HA       CYS   7  -4.621   2.083  -2.878
   52    HB2  CYS   7           HB2      CYS   7  -3.521   4.074  -2.143
   53    HB3  CYS   7           HB1      CYS   7  -3.444   3.484  -0.492
   54    H    ARG   8           H        ARG   8  -4.772   1.655   0.688
   55    HA   ARG   8           HA       ARG   8  -3.388  -0.797   0.608
   56    HB2  ARG   8           HB2      ARG   8  -3.377   0.403   2.668
   57    HB3  ARG   8           HB1      ARG   8  -5.134   0.423   2.731
   58    HG2  ARG   8           HG2      ARG   8  -4.225  -1.195   4.324
   59    HG3  ARG   8           HG1      ARG   8  -5.162  -1.999   3.070
   60    HD2  ARG   8           HD2      ARG   8  -3.052  -2.515   1.886
   61    HD3  ARG   8           HD1      ARG   8  -2.151  -1.824   3.230
   62    HE   ARG   8           HE       ARG   8  -3.837  -4.225   3.325
   63   HH11  ARG   8          HH11      ARG   8  -1.275  -2.238   4.761
   64   HH12  ARG   8          HH12      ARG   8  -0.719  -3.478   5.779
   65   HH21  ARG   8          HH21      ARG   8  -3.096  -5.885   4.753
   66   HH22  ARG   8          HH22      ARG   8  -1.803  -5.589   5.832
   67    H    GLN   9           H        GLN   9  -6.842  -0.033   0.624
   68    HA   GLN   9           HA       GLN   9  -7.857  -2.576   1.018
   69    HB2  GLN   9           HB2      GLN   9  -9.149  -0.446   0.969
   70    HB3  GLN   9           HB1      GLN   9  -9.003  -0.446  -0.780
   71    HG2  GLN   9           HG2      GLN   9 -10.245  -2.525  -0.898
   72    HG3  GLN   9           HG1      GLN   9 -10.364  -2.555   0.862
   73   HE21  GLN   9          1HE2      GLN   9 -11.637  -1.027   1.890
   74   HE22  GLN   9          2HE2      GLN   9 -12.889  -0.173   1.071
   75    H    TRP  10           H        TRP  10  -6.665  -1.041  -1.877
   76    HA   TRP  10           HA       TRP  10  -7.505  -2.867  -3.817
   77    HB2  TRP  10           HB2      TRP  10  -6.457  -0.584  -4.182
   78    HB3  TRP  10           HB1      TRP  10  -4.910  -1.321  -3.809
   79    HD1  TRP  10           HD       TRP  10  -7.603  -1.235  -6.486
   80    HE1  TRP  10           HE1      TRP  10  -6.633  -2.226  -8.666
   81    HE3  TRP  10          3HE       TRP  10  -3.118  -2.915  -4.713
   82    HZ2  TRP  10           HZ2      TRP  10  -4.298  -3.515  -9.510
   83    HZ3  TRP  10           HZ3      TRP  10  -1.570  -4.012  -6.275
   84    HH2  TRP  10           HH       TRP  10  -2.152  -4.306  -8.624
   85    H    CYS  11           H        CYS  11  -4.474  -2.695  -1.985
   86    HA   CYS  11           HA       CYS  11  -3.469  -5.140  -3.048
   87    HB2  CYS  11           HB2      CYS  11  -2.574  -3.333  -0.825
   88    HB3  CYS  11           HB1      CYS  11  -1.742  -4.840  -1.197
   89    H    GLN  12           H        GLN  12  -5.406  -4.297  -0.318
   90    HA   GLN  12           HA       GLN  12  -4.930  -6.621   1.240
   91    HB2  GLN  12           HB2      GLN  12  -5.952  -4.436   2.033
   92    HB3  GLN  12           HB1      GLN  12  -7.435  -4.935   1.232
   93    HG2  GLN  12           HG2      GLN  12  -7.730  -5.515   3.477
   94    HG3  GLN  12           HG1      GLN  12  -7.331  -7.023   2.661
   95   HE21  GLN  12          1HE2      GLN  12  -7.078  -6.319   5.422
   96   HE22  GLN  12          2HE2      GLN  12  -5.433  -6.533   5.870
   97    H    VAL  13           H        VAL  13  -7.432  -5.715  -1.127
   98    HA   VAL  13           HA       VAL  13  -8.687  -8.293  -0.961
   99    HB   VAL  13           HB       VAL  13  -9.972  -6.227  -1.536
  100   HG11  VAL  13          HG11      VAL  13  -9.906  -5.327  -3.812
  101   HG12  VAL  13          HG12      VAL  13  -8.491  -6.332  -4.139
  102   HG13  VAL  13          3HG1      VAL  13  -8.410  -5.068  -2.914
  103   HG21  VAL  13          HG21      VAL  13 -11.345  -7.183  -3.355
  104   HG22  VAL  13          HG22      VAL  13 -10.960  -8.359  -2.101
  105   HG23  VAL  13          HG23      VAL  13 -10.090  -8.392  -3.635
  106    H    MET  14           H        MET  14  -6.089  -6.940  -2.675
  107    HA   MET  14           HA       MET  14  -6.010  -8.734  -4.886
  108    HB2  MET  14           HB2      MET  14  -4.795  -6.558  -4.838
  109    HB3  MET  14           HB1      MET  14  -3.750  -7.208  -3.589
  110    HG2  MET  14           HG2      MET  14  -2.652  -7.258  -5.753
  111    HG3  MET  14           HG1      MET  14  -2.906  -8.887  -5.133
  112    HE1  MET  14           HE1      MET  14  -4.168  -6.143  -7.639
  113    HE2  MET  14           HE2      MET  14  -5.657  -6.542  -6.774
  114    HE3  MET  14          3HE       MET  14  -5.471  -6.987  -8.468
  115    H    LYS  15           H        LYS  15  -4.315  -8.620  -1.752
  116    HA   LYS  15           HA       LYS  15  -4.154 -11.484  -1.761
  117    HB2  LYS  15           HB2      LYS  15  -2.129 -10.753  -2.990
  118    HB3  LYS  15           HB1      LYS  15  -1.668  -9.770  -1.611
  119    HG2  LYS  15           HG2      LYS  15  -0.404 -11.843  -1.665
  120    HG3  LYS  15           HG1      LYS  15  -1.451 -11.786  -0.245
  121    HD2  LYS  15           HD2      LYS  15  -3.057 -13.235  -1.317
  122    HD3  LYS  15           HD1      LYS  15  -2.128 -13.226  -2.815
  123    HE2  LYS  15           HE2      LYS  15  -1.231 -14.334  -0.156
  124    HE3  LYS  15           HE1      LYS  15  -1.777 -15.273  -1.535
  125    HZ1  LYS  15           HZ1      LYS  15   0.662 -15.156  -1.361
  126    HZ2  LYS  15           HZ2      LYS  15   0.622 -13.494  -1.630
  127    HZ3  LYS  15           HZ3      LYS  15   0.079 -14.548  -2.808
  128    HA   PRO  16           HA       PRO  16  -5.115 -10.173   2.518
  129    HB2  PRO  16           HB2      PRO  16  -5.128 -13.148   2.717
  130    HB3  PRO  16           HB1      PRO  16  -6.327 -11.994   3.315
  131    HG2  PRO  16           HG2      PRO  16  -6.850 -13.443   1.168
  132    HG3  PRO  16           HG1      PRO  16  -7.298 -11.726   1.217
  133    HD2  PRO  16           HD2      PRO  16  -4.984 -13.037  -0.148
  134    HD3  PRO  16           HD1      PRO  16  -6.048 -11.727  -0.728
  135    H    GLN  17           H        GLN  17  -3.778 -10.102   4.215
  136    HA   GLN  17           HA       GLN  17  -1.844  -9.990   5.351
  137    HB2  GLN  17           HB2      GLN  17  -1.271 -12.710   4.128
  138    HB3  GLN  17           HB1      GLN  17  -0.263 -11.952   5.350
  139    HG2  GLN  17           HG2      GLN  17  -2.122 -12.000   6.925
  140    HG3  GLN  17           HG1      GLN  17  -3.149 -12.730   5.693
  141   HE21  GLN  17          1HE2      GLN  17  -2.817 -14.868   5.123
  142   HE22  GLN  17          2HE2      GLN  17  -1.889 -15.946   6.096
  143    H    GLY  18           H        GLY  18  -0.835 -11.529   2.309
  144    HA2  GLY  18           HA2      GLY  18   0.224 -10.559   0.534
  145    HA3  GLY  18           HA1      GLY  18   0.367  -9.054   1.417
  146    H    GLY  19           H        GLY  19   1.723  -9.711   3.550
  147    HA2  GLY  19           HA2      GLY  19   3.829 -10.231   4.406
  148    HA3  GLY  19           HA1      GLY  19   3.952 -11.472   3.162
  149    H    GLU  20           H        GLU  20   5.491 -11.166   1.699
  150    HA   GLU  20           HA       GLU  20   6.950  -8.730   1.571
  151    HB2  GLU  20           HB2      GLU  20   6.971 -11.143  -0.235
  152    HB3  GLU  20           HB1      GLU  20   8.007  -9.746  -0.487
  153    HG2  GLU  20           HG2      GLU  20   7.983 -11.534   1.921
  154    HG3  GLU  20           HG1      GLU  20   9.205 -11.500   0.648
  155    H    GLU  21           H        GLU  21   4.249 -10.012  -0.139
  156    HA   GLU  21           HA       GLU  21   4.351  -8.165  -2.298
  157    HB2  GLU  21           HB2      GLU  21   2.041  -9.752  -1.201
  158    HB3  GLU  21           HB1      GLU  21   2.040  -8.876  -2.728
  159    HG2  GLU  21           HG2      GLU  21   3.885 -10.263  -3.501
  160    HG3  GLU  21           HG1      GLU  21   3.813 -11.178  -1.995
  161    H    GLN  22           H        GLN  22   3.057  -8.156   0.911
  162    HA   GLN  22           HA       GLN  22   1.406  -5.843   0.512
  163    HB2  GLN  22           HB2      GLN  22   1.291  -7.706   2.392
  164    HB3  GLN  22           HB1      GLN  22   2.454  -6.660   3.177
  165    HG2  GLN  22           HG2      GLN  22   0.212  -6.176   3.947
  166    HG3  GLN  22           HG1      GLN  22   0.895  -4.799   3.075
  167   HE21  GLN  22          1HE2      GLN  22  -1.352  -7.427   2.909
  168   HE22  GLN  22          2HE2      GLN  22  -2.309  -6.831   1.600
  169    H    ARG  23           H        ARG  23   4.576  -6.621   1.727
  170    HA   ARG  23           HA       ARG  23   5.315  -4.021   2.503
  171    HB2  ARG  23           HB2      ARG  23   6.996  -6.399   1.694
  172    HB3  ARG  23           HB1      ARG  23   7.662  -4.916   2.379
  173    HG2  ARG  23           HG2      ARG  23   6.433  -5.219   4.403
  174    HG3  ARG  23           HG1      ARG  23   5.567  -6.590   3.726
  175    HD2  ARG  23           HD2      ARG  23   7.642  -7.864   3.659
  176    HD3  ARG  23           HD1      ARG  23   8.522  -6.467   4.297
  177    HE   ARG  23           HE       ARG  23   6.916  -6.636   6.218
  178   HH11  ARG  23          HH11      ARG  23   8.145  -9.511   4.527
  179   HH12  ARG  23          HH12      ARG  23   7.806 -10.553   5.820
  180   HH21  ARG  23          HH21      ARG  23   6.521  -8.076   7.989
  181   HH22  ARG  23          HH22      ARG  23   6.915  -9.730   7.848
  182    H    ARG  24           H        ARG  24   5.643  -5.753  -0.533
  183    HA   ARG  24           HA       ARG  24   6.927  -3.688  -1.952
  184    HB2  ARG  24           HB2      ARG  24   6.791  -5.960  -2.820
  185    HB3  ARG  24           HB1      ARG  24   5.045  -5.836  -2.936
  186    HG2  ARG  24           HG2      ARG  24   5.223  -4.200  -4.688
  187    HG3  ARG  24           HG1      ARG  24   6.978  -4.138  -4.493
  188    HD2  ARG  24           HD2      ARG  24   6.316  -5.519  -6.410
  189    HD3  ARG  24           HD1      ARG  24   7.167  -6.437  -5.170
  190    HE   ARG  24           HE       ARG  24   4.261  -6.476  -5.104
  191   HH11  ARG  24          HH11      ARG  24   7.257  -8.178  -5.907
  192   HH12  ARG  24          HH12      ARG  24   6.530  -9.699  -6.039
  193   HH21  ARG  24          HH21      ARG  24   3.245  -8.596  -5.337
  194   HH22  ARG  24          HH22      ARG  24   4.201  -9.947  -5.713
  195    H    CYS  25           H        CYS  25   3.498  -4.461  -1.502
  196    HA   CYS  25           HA       CYS  25   2.441  -2.305  -2.916
  197    HB2  CYS  25           HB2      CYS  25   1.420  -4.060  -0.744
  198    HB3  CYS  25           HB1      CYS  25   0.531  -2.590  -1.114
  199    H    GLN  26           H        GLN  26   3.509  -2.537   0.432
  200    HA   GLN  26           HA       GLN  26   2.700  -0.052   1.346
  201    HB2  GLN  26           HB2      GLN  26   3.587  -1.823   2.785
  202    HB3  GLN  26           HB1      GLN  26   5.168  -1.647   2.046
  203    HG2  GLN  26           HG2      GLN  26   5.353   0.600   2.970
  204    HG3  GLN  26           HG1      GLN  26   3.754   0.430   3.700
  205   HE21  GLN  26          1HE2      GLN  26   3.495  -0.976   5.427
  206   HE22  GLN  26          2HE2      GLN  26   4.829  -1.570   6.339
  207    H    GLN  27           H        GLN  27   5.704  -1.012  -0.257
  208    HA   GLN  27           HA       GLN  27   7.087   1.417  -0.312
  209    HB2  GLN  27           HB2      GLN  27   6.940  -0.609  -2.535
  210    HB3  GLN  27           HB1      GLN  27   8.217   0.570  -2.299
  211    HG2  GLN  27           HG2      GLN  27   8.922  -0.554  -0.279
  212    HG3  GLN  27           HG1      GLN  27   7.581  -1.687  -0.413
  213   HE21  GLN  27          1HE2      GLN  27   7.911  -1.889  -3.379
  214   HE22  GLN  27          2HE2      GLN  27   9.310  -2.848  -3.599
  215    H    GLU  28           H        GLU  28   4.901   0.045  -2.723
  216    HA   GLU  28           HA       GLU  28   4.903   2.241  -4.477
  217    HB2  GLU  28           HB2      GLU  28   2.859   0.052  -4.138
  218    HB3  GLU  28           HB1      GLU  28   2.980   1.133  -5.518
  219    HG2  GLU  28           HG2      GLU  28   5.054  -0.862  -4.644
  220    HG3  GLU  28           HG1      GLU  28   3.956  -1.041  -6.009
  221    H    CYS  29           H        CYS  29   2.778   1.301  -1.850
  222    HA   CYS  29           HA       CYS  29   0.760   3.190  -2.307
  223    HB2  CYS  29           HB2      CYS  29   0.789   1.080  -0.778
  224    HB3  CYS  29           HB1      CYS  29   1.431   2.179   0.439
  225    H    GLU  30           H        GLU  30   3.647   3.252  -0.217
  226    HA   GLU  30           HA       GLU  30   3.218   5.800   0.851
  227    HB2  GLU  30           HB2      GLU  30   5.770   4.272   0.344
  228    HB3  GLU  30           HB1      GLU  30   5.712   5.798   1.210
  229    HG2  GLU  30           HG2      GLU  30   4.355   3.243   2.043
  230    HG3  GLU  30           HG1      GLU  30   5.848   3.890   2.719
  231    H    GLU  31           H        GLU  31   5.015   4.704  -1.983
  232    HA   GLU  31           HA       GLU  31   5.994   7.195  -2.830
  233    HB2  GLU  31           HB2      GLU  31   6.845   5.004  -3.586
  234    HB3  GLU  31           HB1      GLU  31   5.350   4.728  -4.454
  235    HG2  GLU  31           HG2      GLU  31   5.848   6.432  -6.022
  236    HG3  GLU  31           HG1      GLU  31   7.207   7.010  -5.058
  237    H    ARG  32           H        ARG  32   3.029   5.518  -3.579
  238    HA   ARG  32           HA       ARG  32   1.906   7.292  -5.433
  239    HB2  ARG  32           HB2      ARG  32   1.003   5.096  -5.127
  240    HB3  ARG  32           HB1      ARG  32   0.728   5.383  -3.423
  241    HG2  ARG  32           HG2      ARG  32  -1.050   6.945  -3.955
  242    HG3  ARG  32           HG1      ARG  32  -0.753   6.717  -5.680
  243    HD2  ARG  32           HD2      ARG  32  -1.334   4.417  -5.552
  244    HD3  ARG  32           HD1      ARG  32  -1.463   4.476  -3.794
  245    HE   ARG  32           HE       ARG  32  -3.274   6.275  -4.576
  246   HH11  ARG  32          HH11      ARG  32  -2.685   2.957  -5.665
  247   HH12  ARG  32          HH12      ARG  32  -4.309   2.592  -5.990
  248   HH21  ARG  32          HH21      ARG  32  -5.574   5.753  -4.991
  249   HH22  ARG  32          HH22      ARG  32  -5.970   4.212  -5.600
  250    H    LEU  33           H        LEU  33   1.715   7.135  -1.923
  251    HA   LEU  33           HA       LEU  33  -0.123   9.263  -1.592
  252    HB2  LEU  33           HB2      LEU  33   0.270   7.450   0.034
  253    HB3  LEU  33           HB1      LEU  33   1.862   8.103   0.350
  254    HG   LEU  33           HG       LEU  33   0.756  10.197   1.157
  255   HD11  LEU  33          HD11      LEU  33  -1.373   9.963   0.028
  256   HD12  LEU  33          HD12      LEU  33  -1.608  10.055   1.774
  257   HD13  LEU  33          HD13      LEU  33  -1.722   8.503   0.952
  258   HD21  LEU  33          HD21      LEU  33   1.595   8.499   2.689
  259   HD22  LEU  33          HD22      LEU  33   0.059   7.638   2.583
  260   HD23  LEU  33          HD23      LEU  33   0.124   9.246   3.308
  261    H    ARG  34           H        ARG  34   3.424   9.050  -1.217
  262    HA   ARG  34           HA       ARG  34   3.860  11.780  -1.952
  263    HB2  ARG  34           HB2      ARG  34   3.062  12.070   0.372
  264    HB3  ARG  34           HB1      ARG  34   4.305  10.963   0.926
  265    HG2  ARG  34           HG2      ARG  34   5.626  12.952  -0.557
  266    HG3  ARG  34           HG1      ARG  34   4.466  13.783   0.481
  267    HD2  ARG  34           HD2      ARG  34   6.523  13.575   1.682
  268    HD3  ARG  34           HD1      ARG  34   5.353  12.473   2.402
  269    HE   ARG  34           HE       ARG  34   7.397  11.558   0.476
  270   HH11  ARG  34          HH11      ARG  34   5.726  11.157   3.564
  271   HH12  ARG  34          HH12      ARG  34   6.601   9.766   3.989
  272   HH21  ARG  34          HH21      ARG  34   8.577   9.690   1.047
  273   HH22  ARG  34          HH22      ARG  34   8.295   8.896   2.531
  274    H    ASP  35           H        ASP  35   5.894  11.801  -2.831
  275    HA   ASP  35           HA       ASP  35   7.634   9.587  -2.097
  276    HB2  ASP  35           HB2      ASP  35   7.300   9.969  -4.518
  277    HB3  ASP  35           HB1      ASP  35   7.961  11.594  -4.341
  Start of MODEL    8
    1    H    PCA   1           H        PGL   1  -5.178  10.416   3.928
    2    HA   PCA   1           HA       PGL   1  -4.700   8.280   5.365
    3    HB2  PCA   1           HB1      PGL   1  -5.683   8.315   7.410
    4    HB3  PCA   1           HB2      PGL   1  -7.293   8.529   6.668
    5    HG2  PCA   1           HG1      PGL   1  -5.592  10.540   7.920
    6    HG3  PCA   1           HG2      PGL   1  -7.254  10.717   7.260
    7    H    LYS   2           H        LYS   2  -7.303   9.707   3.620
    8    HA   LYS   2           HA       LYS   2  -8.754   7.293   3.124
    9    HB2  LYS   2           HB2      LYS   2  -8.573   9.824   1.509
   10    HB3  LYS   2           HB1      LYS   2  -9.759   8.557   1.279
   11    HG2  LYS   2           HG2      LYS   2 -10.647   9.028   3.524
   12    HG3  LYS   2           HG1      LYS   2  -9.479  10.334   3.691
   13    HD2  LYS   2           HD2      LYS   2 -11.529  10.203   1.472
   14    HD3  LYS   2           HD1      LYS   2 -11.811  11.018   2.997
   15    HE2  LYS   2           HE2      LYS   2 -11.197  12.623   1.295
   16    HE3  LYS   2           HE1      LYS   2  -9.946  12.557   2.522
   17    HZ1  LYS   2           HZ1      LYS   2  -9.204  12.704   0.154
   18    HZ2  LYS   2           HZ2      LYS   2  -9.719  11.132  -0.107
   19    HZ3  LYS   2           HZ3      LYS   2  -8.479  11.455   0.985
   20    H    GLU   3           H        GLU   3  -6.260   9.078   1.634
   21    HA   GLU   3           HA       GLU   3  -5.878   7.931  -0.852
   22    HB2  GLU   3           HB2      GLU   3  -3.680   8.881   1.002
   23    HB3  GLU   3           HB1      GLU   3  -3.589   8.782  -0.741
   24    HG2  GLU   3           HG2      GLU   3  -3.802  11.081  -0.114
   25    HG3  GLU   3           HG1      GLU   3  -5.312  10.589  -0.872
   26    H    THR   4           H        THR   4  -4.381   7.202   2.122
   27    HA   THR   4           HA       THR   4  -2.960   4.949   1.230
   28    HB   THR   4           HB       THR   4  -2.737   4.721   3.835
   29    HG1  THR   4           HG1      THR   4  -3.707   6.257   4.900
   30   HG21  THR   4          HG21      THR   4  -0.953   5.486   2.300
   31   HG22  THR   4          HG22      THR   4  -0.974   6.436   3.785
   32   HG23  THR   4          HG23      THR   4  -1.658   7.103   2.303
   33    H    GLU   5           H        GLU   5  -6.053   5.426   2.879
   34    HA   GLU   5           HA       GLU   5  -6.577   2.811   3.713
   35    HB2  GLU   5           HB2      GLU   5  -7.951   4.761   4.326
   36    HB3  GLU   5           HB1      GLU   5  -8.548   4.849   2.676
   37    HG2  GLU   5           HG2      GLU   5  -9.431   2.519   2.984
   38    HG3  GLU   5           HG1      GLU   5  -9.037   2.684   4.695
   39    H    ILE   6           H        ILE   6  -7.531   4.443   0.722
   40    HA   ILE   6           HA       ILE   6  -8.762   2.279  -0.593
   41    HB   ILE   6           HB       ILE   6  -7.231   4.593  -1.808
   42   HG12  ILE   6          HG12      ILE   6 -10.199   4.391  -1.290
   43   HG13  ILE   6          HG11      ILE   6  -9.073   5.242  -0.234
   44   HG21  ILE   6          HG21      ILE   6  -8.648   4.221  -3.788
   45   HG22  ILE   6          HG22      ILE   6  -9.335   2.794  -3.007
   46   HG23  ILE   6          HG23      ILE   6  -7.624   2.830  -3.429
   47   HD11  ILE   6          HD11      ILE   6  -9.627   5.870  -3.115
   48   HD12  ILE   6          HD12      ILE   6  -8.445   6.667  -2.081
   49   HD13  ILE   6          HD13      ILE   6 -10.172   6.804  -1.709
   50    H    CYS   7           H        CYS   7  -5.564   3.627  -0.833
   51    HA   CYS   7           HA       CYS   7  -4.347   1.919  -2.608
   52    HB2  CYS   7           HB2      CYS   7  -3.414   4.030  -1.764
   53    HB3  CYS   7           HB1      CYS   7  -3.166   3.287  -0.197
   54    H    ARG   8           H        ARG   8  -4.457   1.593   0.944
   55    HA   ARG   8           HA       ARG   8  -3.195  -0.885   1.235
   56    HB2  ARG   8           HB2      ARG   8  -3.536   0.485   3.139
   57    HB3  ARG   8           HB1      ARG   8  -5.249   0.615   2.830
   58    HG2  ARG   8           HG2      ARG   8  -4.903  -0.757   4.769
   59    HG3  ARG   8           HG1      ARG   8  -5.510  -1.765   3.468
   60    HD2  ARG   8           HD2      ARG   8  -2.575  -1.565   4.063
   61    HD3  ARG   8           HD1      ARG   8  -3.626  -2.634   4.976
   62    HE   ARG   8           HE       ARG   8  -3.831  -3.038   2.149
   63   HH11  ARG   8          HH11      ARG   8  -1.872  -3.691   4.988
   64   HH12  ARG   8          HH12      ARG   8  -1.310  -5.212   4.493
   65   HH21  ARG   8          HH21      ARG   8  -3.050  -5.187   1.375
   66   HH22  ARG   8          HH22      ARG   8  -1.998  -6.067   2.381
   67    H    GLN   9           H        GLN   9  -6.589  -0.043   0.828
   68    HA   GLN   9           HA       GLN   9  -7.618  -2.601   1.213
   69    HB2  GLN   9           HB2      GLN   9  -8.876  -0.462   1.382
   70    HB3  GLN   9           HB1      GLN   9  -8.848  -0.354  -0.368
   71    HG2  GLN   9           HG2      GLN   9 -10.181  -2.348  -0.554
   72    HG3  GLN   9           HG1      GLN   9 -10.119  -2.588   1.192
   73   HE21  GLN   9          1HE2      GLN   9 -11.480  -0.738  -1.373
   74   HE22  GLN   9          2HE2      GLN   9 -12.677   0.076  -0.438
   75    H    TRP  10           H        TRP  10  -6.581  -0.949  -1.725
   76    HA   TRP  10           HA       TRP  10  -7.449  -2.758  -3.662
   77    HB2  TRP  10           HB2      TRP  10  -6.379  -0.555  -4.144
   78    HB3  TRP  10           HB1      TRP  10  -4.834  -1.217  -3.632
   79    HD1  TRP  10           HD       TRP  10  -7.288  -1.235  -6.532
   80    HE1  TRP  10           HE1      TRP  10  -6.178  -2.325  -8.573
   81    HE3  TRP  10          3HE       TRP  10  -3.021  -2.994  -4.335
   82    HZ2  TRP  10           HZ2      TRP  10  -3.831  -3.741  -9.189
   83    HZ3  TRP  10           HZ3      TRP  10  -1.396  -4.209  -5.726
   84    HH2  TRP  10           HH       TRP  10  -1.797  -4.574  -8.103
   85    H    CYS  11           H        CYS  11  -4.334  -2.668  -2.000
   86    HA   CYS  11           HA       CYS  11  -3.380  -5.144  -2.964
   87    HB2  CYS  11           HB2      CYS  11  -2.637  -3.461  -0.587
   88    HB3  CYS  11           HB1      CYS  11  -1.822  -4.974  -0.959
   89    H    GLN  12           H        GLN  12  -5.246  -4.231  -0.168
   90    HA   GLN  12           HA       GLN  12  -4.932  -6.567   1.356
   91    HB2  GLN  12           HB2      GLN  12  -5.713  -4.354   2.180
   92    HB3  GLN  12           HB1      GLN  12  -7.238  -4.648   1.360
   93    HG2  GLN  12           HG2      GLN  12  -7.638  -6.578   2.771
   94    HG3  GLN  12           HG1      GLN  12  -6.099  -6.309   3.583
   95   HE21  GLN  12          1HE2      GLN  12  -8.334  -3.783   2.581
   96   HE22  GLN  12          2HE2      GLN  12  -8.702  -3.269   4.187
   97    H    VAL  13           H        VAL  13  -7.476  -5.544  -0.931
   98    HA   VAL  13           HA       VAL  13  -8.950  -7.945  -0.545
   99    HB   VAL  13           HB       VAL  13 -10.014  -5.805  -1.308
  100   HG11  VAL  13          HG11      VAL  13  -8.715  -6.388  -3.952
  101   HG12  VAL  13          HG12      VAL  13  -8.390  -5.016  -2.893
  102   HG13  VAL  13          3HG1      VAL  13  -9.966  -5.177  -3.671
  103   HG21  VAL  13          HG21      VAL  13 -11.236  -7.882  -1.554
  104   HG22  VAL  13          HG22      VAL  13 -10.471  -8.176  -3.114
  105   HG23  VAL  13          HG23      VAL  13 -11.580  -6.819  -2.920
  106    H    MET  14           H        MET  14  -6.393  -6.958  -2.668
  107    HA   MET  14           HA       MET  14  -6.625  -9.080  -4.544
  108    HB2  MET  14           HB2      MET  14  -5.363  -7.043  -5.056
  109    HB3  MET  14           HB1      MET  14  -4.229  -7.401  -3.765
  110    HG2  MET  14           HG2      MET  14  -3.257  -7.940  -5.908
  111    HG3  MET  14           HG1      MET  14  -3.503  -9.408  -4.971
  112    HE1  MET  14           HE1      MET  14  -2.882  -9.492  -8.064
  113    HE2  MET  14           HE2      MET  14  -4.056 -10.689  -8.611
  114    HE3  MET  14          3HE       MET  14  -3.195 -10.929  -7.092
  115    H    LYS  15           H        LYS  15  -4.423  -8.608  -1.759
  116    HA   LYS  15           HA       LYS  15  -4.400 -11.439  -1.229
  117    HB2  LYS  15           HB2      LYS  15  -1.889  -9.886  -1.876
  118    HB3  LYS  15           HB1      LYS  15  -1.884 -11.410  -1.009
  119    HG2  LYS  15           HG2      LYS  15  -2.908 -12.479  -2.997
  120    HG3  LYS  15           HG1      LYS  15  -2.754 -10.945  -3.854
  121    HD2  LYS  15           HD2      LYS  15  -0.333 -10.991  -3.478
  122    HD3  LYS  15           HD1      LYS  15  -0.501 -12.533  -2.641
  123    HE2  LYS  15           HE2      LYS  15  -1.426 -13.507  -4.719
  124    HE3  LYS  15           HE1      LYS  15  -1.142 -11.971  -5.528
  125    HZ1  LYS  15           HZ1      LYS  15   1.219 -12.207  -5.039
  126    HZ2  LYS  15           HZ2      LYS  15   0.669 -13.513  -5.942
  127    HZ3  LYS  15           HZ3      LYS  15   0.927 -13.681  -4.286
  128    HA   PRO  16           HA       PRO  16  -4.579  -9.165   2.660
  129    HB2  PRO  16           HB2      PRO  16  -5.065 -11.849   3.778
  130    HB3  PRO  16           HB1      PRO  16  -6.071 -10.403   3.878
  131    HG2  PRO  16           HG2      PRO  16  -6.768 -12.509   2.356
  132    HG3  PRO  16           HG1      PRO  16  -7.142 -10.843   1.883
  133    HD2  PRO  16           HD2      PRO  16  -4.972 -12.650   0.900
  134    HD3  PRO  16           HD1      PRO  16  -5.999 -11.507   0.005
  135    H    GLN  17           H        GLN  17  -2.747  -8.645   3.491
  136    HA   GLN  17           HA       GLN  17  -0.698  -8.551   4.301
  137    HB2  GLN  17           HB2      GLN  17  -1.526 -11.058   5.751
  138    HB3  GLN  17           HB1      GLN  17  -0.195 -10.000   6.201
  139    HG2  GLN  17           HG2      GLN  17  -1.750  -8.179   6.598
  140    HG3  GLN  17           HG1      GLN  17  -3.093  -9.206   6.097
  141   HE21  GLN  17          1HE2      GLN  17  -4.117  -9.060   8.034
  142   HE22  GLN  17          2HE2      GLN  17  -3.555  -9.830   9.462
  143    H    GLY  18           H        GLY  18  -0.391 -12.027   4.563
  144    HA2  GLY  18           HA2      GLY  18   1.047 -13.485   3.559
  145    HA3  GLY  18           HA1      GLY  18   1.159 -12.362   2.205
  146    H    GLY  19           H        GLY  19   3.045 -11.537   1.889
  147    HA2  GLY  19           HA2      GLY  19   4.670 -10.594   4.038
  148    HA3  GLY  19           HA1      GLY  19   5.334 -12.003   3.213
  149    H    GLU  20           H        GLU  20   5.573 -11.867   0.897
  150    HA   GLU  20           HA       GLU  20   7.102  -9.578   0.269
  151    HB2  GLU  20           HB2      GLU  20   7.480 -10.606  -1.913
  152    HB3  GLU  20           HB1      GLU  20   7.683 -11.774  -0.618
  153    HG2  GLU  20           HG2      GLU  20   5.486 -12.693  -1.083
  154    HG3  GLU  20           HG1      GLU  20   5.240 -11.499  -2.354
  155    H    GLU  21           H        GLU  21   3.808 -10.473  -0.510
  156    HA   GLU  21           HA       GLU  21   3.532  -8.502  -2.532
  157    HB2  GLU  21           HB2      GLU  21   1.080  -8.907  -2.362
  158    HB3  GLU  21           HB1      GLU  21   2.001 -10.373  -2.615
  159    HG2  GLU  21           HG2      GLU  21   1.117  -9.555   0.133
  160    HG3  GLU  21           HG1      GLU  21   0.029 -10.395  -0.961
  161    H    GLN  22           H        GLN  22   2.899  -8.611   0.891
  162    HA   GLN  22           HA       GLN  22   1.710  -6.026   0.893
  163    HB2  GLN  22           HB2      GLN  22   1.167  -7.684   2.626
  164    HB3  GLN  22           HB1      GLN  22   2.819  -7.594   3.221
  165    HG2  GLN  22           HG2      GLN  22   2.523  -5.355   3.949
  166    HG3  GLN  22           HG1      GLN  22   0.972  -5.229   3.123
  167   HE21  GLN  22          1HE2      GLN  22   2.649  -6.540   5.858
  168   HE22  GLN  22          2HE2      GLN  22   1.233  -6.944   6.751
  169    H    ARG  23           H        ARG  23   4.924  -7.274   1.514
  170    HA   ARG  23           HA       ARG  23   6.064  -4.817   2.316
  171    HB2  ARG  23           HB2      ARG  23   7.374  -7.212   0.987
  172    HB3  ARG  23           HB1      ARG  23   8.256  -5.855   1.673
  173    HG2  ARG  23           HG2      ARG  23   6.446  -7.706   3.215
  174    HG3  ARG  23           HG1      ARG  23   8.206  -7.795   3.177
  175    HD2  ARG  23           HD2      ARG  23   8.365  -5.597   4.163
  176    HD3  ARG  23           HD1      ARG  23   6.617  -5.413   4.126
  177    HE   ARG  23           HE       ARG  23   7.315  -7.717   5.561
  178   HH11  ARG  23          HH11      ARG  23   7.425  -4.196   5.840
  179   HH12  ARG  23          HH12      ARG  23   7.203  -4.163   7.531
  180   HH21  ARG  23          HH21      ARG  23   7.008  -7.671   7.932
  181   HH22  ARG  23          HH22      ARG  23   6.945  -6.164   8.722
  182    H    ARG  24           H        ARG  24   5.673  -6.316  -0.872
  183    HA   ARG  24           HA       ARG  24   6.930  -4.254  -2.311
  184    HB2  ARG  24           HB2      ARG  24   6.325  -6.479  -3.308
  185    HB3  ARG  24           HB1      ARG  24   4.636  -6.002  -3.259
  186    HG2  ARG  24           HG2      ARG  24   5.050  -4.195  -4.815
  187    HG3  ARG  24           HG1      ARG  24   6.774  -4.549  -4.811
  188    HD2  ARG  24           HD2      ARG  24   5.750  -5.435  -6.811
  189    HD3  ARG  24           HD1      ARG  24   6.293  -6.765  -5.794
  190    HE   ARG  24           HE       ARG  24   3.651  -6.323  -5.147
  191   HH11  ARG  24          HH11      ARG  24   5.412  -7.278  -8.096
  192   HH12  ARG  24          HH12      ARG  24   4.079  -8.141  -8.735
  193   HH21  ARG  24          HH21      ARG  24   1.870  -7.470  -6.069
  194   HH22  ARG  24          HH22      ARG  24   2.023  -8.227  -7.588
  195    H    CYS  25           H        CYS  25   3.538  -4.789  -1.402
  196    HA   CYS  25           HA       CYS  25   2.531  -2.477  -2.520
  197    HB2  CYS  25           HB2      CYS  25   1.562  -4.169  -0.261
  198    HB3  CYS  25           HB1      CYS  25   0.736  -2.674  -0.683
  199    H    GLN  26           H        GLN  26   4.132  -2.842   0.603
  200    HA   GLN  26           HA       GLN  26   3.499  -0.286   1.554
  201    HB2  GLN  26           HB2      GLN  26   5.932  -2.000   2.020
  202    HB3  GLN  26           HB1      GLN  26   5.680  -0.464   2.837
  203    HG2  GLN  26           HG2      GLN  26   3.609  -1.318   3.802
  204    HG3  GLN  26           HG1      GLN  26   3.869  -2.858   2.984
  205   HE21  GLN  26          1HE2      GLN  26   4.992  -0.726   5.462
  206   HE22  GLN  26          2HE2      GLN  26   5.928  -1.889   6.325
  207    H    GLN  27           H        GLN  27   6.249  -1.363  -0.382
  208    HA   GLN  27           HA       GLN  27   7.404   1.190  -0.666
  209    HB2  GLN  27           HB2      GLN  27   7.584  -1.181  -2.534
  210    HB3  GLN  27           HB1      GLN  27   8.613   0.240  -2.606
  211    HG2  GLN  27           HG2      GLN  27   8.468  -1.749  -0.353
  212    HG3  GLN  27           HG1      GLN  27   9.767  -1.593  -1.533
  213   HE21  GLN  27          1HE2      GLN  27   8.323  -0.285   1.312
  214   HE22  GLN  27          2HE2      GLN  27   9.551   0.848   1.687
  215    H    GLU  28           H        GLU  28   5.166  -0.591  -2.713
  216    HA   GLU  28           HA       GLU  28   4.918   1.287  -4.783
  217    HB2  GLU  28           HB2      GLU  28   2.928  -0.751  -3.791
  218    HB3  GLU  28           HB1      GLU  28   2.829   0.089  -5.327
  219    HG2  GLU  28           HG2      GLU  28   5.082  -1.733  -4.516
  220    HG3  GLU  28           HG1      GLU  28   3.710  -2.217  -5.504
  221    H    CYS  29           H        CYS  29   2.955   0.811  -1.853
  222    HA   CYS  29           HA       CYS  29   0.979   2.701  -2.496
  223    HB2  CYS  29           HB2      CYS  29   0.840   0.825  -0.784
  224    HB3  CYS  29           HB1      CYS  29   1.739   1.881   0.301
  225    H    GLU  30           H        GLU  30   3.913   2.936  -0.485
  226    HA   GLU  30           HA       GLU  30   3.375   5.637   0.154
  227    HB2  GLU  30           HB2      GLU  30   5.909   4.027   0.388
  228    HB3  GLU  30           HB1      GLU  30   5.700   5.647   1.050
  229    HG2  GLU  30           HG2      GLU  30   3.886   4.822   2.484
  230    HG3  GLU  30           HG1      GLU  30   4.111   3.205   1.827
  231    H    GLU  31           H        GLU  31   4.936   4.048  -2.491
  232    HA   GLU  31           HA       GLU  31   6.292   6.278  -3.600
  233    HB2  GLU  31           HB2      GLU  31   6.710   3.951  -4.325
  234    HB3  GLU  31           HB1      GLU  31   5.074   3.845  -4.945
  235    HG2  GLU  31           HG2      GLU  31   5.612   5.575  -6.603
  236    HG3  GLU  31           HG1      GLU  31   7.261   5.625  -5.984
  237    H    ARG  32           H        ARG  32   3.045   4.988  -3.917
  238    HA   ARG  32           HA       ARG  32   2.031   6.882  -5.798
  239    HB2  ARG  32           HB2      ARG  32   0.505   5.384  -3.663
  240    HB3  ARG  32           HB1      ARG  32  -0.195   6.134  -5.084
  241    HG2  ARG  32           HG2      ARG  32   1.706   3.821  -5.031
  242    HG3  ARG  32           HG1      ARG  32  -0.033   3.738  -5.323
  243    HD2  ARG  32           HD2      ARG  32   0.211   4.963  -7.388
  244    HD3  ARG  32           HD1      ARG  32   1.911   5.264  -7.048
  245    HE   ARG  32           HE       ARG  32   2.122   2.764  -7.109
  246   HH11  ARG  32          HH11      ARG  32  -0.333   4.387  -9.067
  247   HH12  ARG  32          HH12      ARG  32  -0.160   3.321 -10.390
  248   HH21  ARG  32          HH21      ARG  32   2.320   1.338  -8.860
  249   HH22  ARG  32          HH22      ARG  32   1.373   1.519 -10.270
  250    H    LEU  33           H        LEU  33   2.208   6.756  -2.349
  251    HA   LEU  33           HA       LEU  33   0.695   9.112  -1.848
  252    HB2  LEU  33           HB2      LEU  33   1.084   7.311  -0.191
  253    HB3  LEU  33           HB1      LEU  33   2.769   7.772  -0.119
  254    HG   LEU  33           HG       LEU  33   2.108   9.965   0.804
  255   HD11  LEU  33          HD11      LEU  33  -0.663   8.775   0.833
  256   HD12  LEU  33          HD12      LEU  33  -0.126  10.153  -0.131
  257   HD13  LEU  33          HD13      LEU  33  -0.180  10.273   1.625
  258   HD21  LEU  33          HD21      LEU  33   1.077   7.562   2.301
  259   HD22  LEU  33          HD22      LEU  33   1.464   9.128   3.011
  260   HD23  LEU  33          HD23      LEU  33   2.741   8.149   2.286
  261    H    ARG  34           H        ARG  34   3.985   8.526  -2.713
  262    HA   ARG  34           HA       ARG  34   4.993  11.101  -1.878
  263    HB2  ARG  34           HB2      ARG  34   6.395   9.045  -1.848
  264    HB3  ARG  34           HB1      ARG  34   6.241   8.937  -3.582
  265    HG2  ARG  34           HG2      ARG  34   8.431   9.783  -2.968
  266    HG3  ARG  34           HG1      ARG  34   7.522  11.020  -3.828
  267    HD2  ARG  34           HD2      ARG  34   7.695  10.887  -0.821
  268    HD3  ARG  34           HD1      ARG  34   8.844  11.791  -1.800
  269    HE   ARG  34           HE       ARG  34   6.468  12.757  -2.615
  270   HH11  ARG  34          HH11      ARG  34   7.921  12.389   0.601
  271   HH12  ARG  34          HH12      ARG  34   7.103  13.717   1.280
  272   HH21  ARG  34          HH21      ARG  34   5.332  14.604  -1.664
  273   HH22  ARG  34          HH22      ARG  34   5.610  15.006  -0.039
  274    H    ASP  35           H        ASP  35   3.152  10.048  -4.428
  275    HA   ASP  35           HA       ASP  35   4.342  11.569  -6.532
  276    HB2  ASP  35           HB2      ASP  35   3.073   9.590  -7.094
  277    HB3  ASP  35           HB1      ASP  35   1.641  10.251  -6.317
  Start of MODEL    9
    1    H    PCA   1           H        PGL   1  -6.091  11.344   3.559
    2    HA   PCA   1           HA       PGL   1  -5.361   8.982   3.981
    3    HB2  PCA   1           HB1      PGL   1  -5.910   8.374   6.111
    4    HB3  PCA   1           HB2      PGL   1  -7.568   8.067   5.522
    5    HG2  PCA   1           HG1      PGL   1  -6.623  10.260   7.197
    6    HG3  PCA   1           HG2      PGL   1  -8.300   9.894   6.659
    7    H    LYS   2           H        LYS   2  -7.506  10.481   2.351
    8    HA   LYS   2           HA       LYS   2  -9.588   8.680   1.753
    9    HB2  LYS   2           HB2      LYS   2  -8.434  10.968   0.179
   10    HB3  LYS   2           HB1      LYS   2  -9.924  10.132  -0.238
   11    HG2  LYS   2           HG2      LYS   2 -10.957  10.851   1.815
   12    HG3  LYS   2           HG1      LYS   2  -9.442  11.565   2.365
   13    HD2  LYS   2           HD2      LYS   2  -9.519  13.168   0.535
   14    HD3  LYS   2           HD1      LYS   2 -11.003  12.426  -0.067
   15    HE2  LYS   2           HE2      LYS   2 -12.185  13.054   1.937
   16    HE3  LYS   2           HE1      LYS   2 -10.702  13.661   2.669
   17    HZ1  LYS   2           HZ1      LYS   2 -10.591  15.350   0.986
   18    HZ2  LYS   2           HZ2      LYS   2 -12.072  15.455   1.771
   19    HZ3  LYS   2           HZ3      LYS   2 -11.969  14.772   0.222
   20    H    GLU   3           H        GLU   3  -6.616   9.437  -0.051
   21    HA   GLU   3           HA       GLU   3  -7.171   7.153  -1.689
   22    HB2  GLU   3           HB2      GLU   3  -5.098   7.609  -2.951
   23    HB3  GLU   3           HB1      GLU   3  -6.138   9.012  -2.866
   24    HG2  GLU   3           HG2      GLU   3  -4.698   9.999  -1.193
   25    HG3  GLU   3           HG1      GLU   3  -3.683   8.555  -1.187
   26    H    THR   4           H        THR   4  -5.689   7.628   1.220
   27    HA   THR   4           HA       THR   4  -3.913   5.453   1.267
   28    HB   THR   4           HB       THR   4  -5.583   6.611   3.482
   29    HG1  THR   4           HG1      THR   4  -2.946   7.278   3.497
   30   HG21  THR   4          HG21      THR   4  -3.038   4.977   3.630
   31   HG22  THR   4          HG22      THR   4  -4.647   4.437   4.107
   32   HG23  THR   4          HG23      THR   4  -3.846   5.725   5.009
   33    H    GLU   5           H        GLU   5  -7.358   5.806   2.073
   34    HA   GLU   5           HA       GLU   5  -7.940   3.159   2.703
   35    HB2  GLU   5           HB2      GLU   5  -9.668   5.269   1.414
   36    HB3  GLU   5           HB1      GLU   5 -10.273   3.728   2.001
   37    HG2  GLU   5           HG2      GLU   5  -8.956   5.859   3.662
   38    HG3  GLU   5           HG1      GLU   5 -10.685   5.511   3.593
   39    H    ILE   6           H        ILE   6  -8.087   4.854  -0.389
   40    HA   ILE   6           HA       ILE   6  -8.982   2.742  -2.004
   41    HB   ILE   6           HB       ILE   6  -6.991   4.873  -2.815
   42   HG12  ILE   6          HG12      ILE   6 -10.006   4.950  -3.005
   43   HG13  ILE   6          HG11      ILE   6  -9.062   5.805  -1.789
   44   HG21  ILE   6          HG21      ILE   6  -8.921   3.237  -4.470
   45   HG22  ILE   6          HG22      ILE   6  -7.170   3.052  -4.431
   46   HG23  ILE   6          HG23      ILE   6  -7.886   4.527  -5.081
   47   HD11  ILE   6          HD11      ILE   6  -7.915   7.004  -3.572
   48   HD12  ILE   6          HD12      ILE   6  -9.656   7.319  -3.551
   49   HD13  ILE   6          HD13      ILE   6  -8.958   6.225  -4.759
   50    H    CYS   7           H        CYS   7  -5.719   3.863  -1.455
   51    HA   CYS   7           HA       CYS   7  -4.247   1.986  -2.838
   52    HB2  CYS   7           HB2      CYS   7  -3.423   4.114  -1.796
   53    HB3  CYS   7           HB1      CYS   7  -3.456   3.295  -0.247
   54    H    ARG   8           H        ARG   8  -5.176   1.891   0.616
   55    HA   ARG   8           HA       ARG   8  -3.906  -0.565   1.120
   56    HB2  ARG   8           HB2      ARG   8  -4.394   0.926   2.960
   57    HB3  ARG   8           HB1      ARG   8  -6.116   0.842   2.614
   58    HG2  ARG   8           HG2      ARG   8  -5.614  -0.524   4.543
   59    HG3  ARG   8           HG1      ARG   8  -6.098  -1.557   3.200
   60    HD2  ARG   8           HD2      ARG   8  -3.650  -1.907   2.727
   61    HD3  ARG   8           HD1      ARG   8  -3.311  -1.075   4.247
   62    HE   ARG   8           HE       ARG   8  -5.036  -3.450   4.193
   63   HH11  ARG   8          HH11      ARG   8  -2.129  -1.853   5.464
   64   HH12  ARG   8          HH12      ARG   8  -1.713  -3.160   6.460
   65   HH21  ARG   8          HH21      ARG   8  -4.443  -5.196   5.524
   66   HH22  ARG   8          HH22      ARG   8  -3.043  -5.112   6.520
   67    H    GLN   9           H        GLN   9  -7.287   0.263   0.380
   68    HA   GLN   9           HA       GLN   9  -8.399  -2.252   0.752
   69    HB2  GLN   9           HB2      GLN   9  -9.640  -0.101   0.425
   70    HB3  GLN   9           HB1      GLN   9  -9.255  -0.196  -1.283
   71    HG2  GLN   9           HG2      GLN   9 -11.497  -0.946  -0.985
   72    HG3  GLN   9           HG1      GLN   9 -10.506  -2.346  -1.382
   73   HE21  GLN   9          1HE2      GLN   9 -13.073  -2.141  -0.011
   74   HE22  GLN   9          2HE2      GLN   9 -12.882  -2.920   1.511
   75    H    TRP  10           H        TRP  10  -6.827  -0.849  -2.043
   76    HA   TRP  10           HA       TRP  10  -7.324  -2.766  -4.010
   77    HB2  TRP  10           HB2      TRP  10  -6.292  -0.527  -4.320
   78    HB3  TRP  10           HB1      TRP  10  -4.833  -1.123  -3.556
   79    HD1  TRP  10           HD       TRP  10  -6.934  -1.725  -6.759
   80    HE1  TRP  10           HE1      TRP  10  -5.301  -2.482  -8.612
   81    HE3  TRP  10          3HE       TRP  10  -2.784  -2.027  -3.993
   82    HZ2  TRP  10           HZ2      TRP  10  -2.551  -3.117  -8.846
   83    HZ3  TRP  10           HZ3      TRP  10  -0.613  -2.706  -5.063
   84    HH2  TRP  10           HH       TRP  10  -0.528  -3.242  -7.447
   85    H    CYS  11           H        CYS  11  -4.491  -2.647  -1.831
   86    HA   CYS  11           HA       CYS  11  -3.640  -5.258  -2.602
   87    HB2  CYS  11           HB2      CYS  11  -2.869  -3.552  -0.228
   88    HB3  CYS  11           HB1      CYS  11  -2.126  -5.103  -0.592
   89    H    GLN  12           H        GLN  12  -5.652  -4.005  -0.032
   90    HA   GLN  12           HA       GLN  12  -5.719  -6.196   1.693
   91    HB2  GLN  12           HB2      GLN  12  -6.519  -3.893   2.202
   92    HB3  GLN  12           HB1      GLN  12  -7.904  -4.193   1.164
   93    HG2  GLN  12           HG2      GLN  12  -8.533  -4.448   3.469
   94    HG3  GLN  12           HG1      GLN  12  -8.608  -6.009   2.650
   95   HE21  GLN  12          1HE2      GLN  12  -8.403  -7.140   4.535
   96   HE22  GLN  12          2HE2      GLN  12  -6.926  -7.217   5.429
   97    H    VAL  13           H        VAL  13  -7.718  -5.412  -1.129
   98    HA   VAL  13           HA       VAL  13  -9.337  -7.725  -0.645
   99    HB   VAL  13           HB       VAL  13 -10.580  -7.177  -2.675
  100   HG11  VAL  13          HG11      VAL  13 -11.249  -6.148  -0.604
  101   HG12  VAL  13          HG12      VAL  13 -11.513  -5.037  -1.948
  102   HG13  VAL  13          3HG1      VAL  13 -10.130  -4.813  -0.877
  103   HG21  VAL  13          HG21      VAL  13 -10.109  -5.105  -3.923
  104   HG22  VAL  13          HG22      VAL  13  -8.803  -6.284  -4.075
  105   HG23  VAL  13          HG23      VAL  13  -8.623  -4.899  -2.997
  106    H    MET  14           H        MET  14  -6.603  -6.978  -2.695
  107    HA   MET  14           HA       MET  14  -7.051  -9.340  -4.260
  108    HB2  MET  14           HB2      MET  14  -4.620  -7.579  -4.111
  109    HB3  MET  14           HB1      MET  14  -4.781  -8.942  -5.208
  110    HG2  MET  14           HG2      MET  14  -6.790  -7.828  -6.171
  111    HG3  MET  14           HG1      MET  14  -6.422  -6.424  -5.172
  112    HE1  MET  14           HE1      MET  14  -2.868  -5.439  -6.581
  113    HE2  MET  14           HE2      MET  14  -3.148  -6.628  -5.315
  114    HE3  MET  14          3HE       MET  14  -4.072  -5.124  -5.332
  115    H    LYS  15           H        LYS  15  -4.610  -8.512  -1.790
  116    HA   LYS  15           HA       LYS  15  -4.654 -11.219  -0.904
  117    HB2  LYS  15           HB2      LYS  15  -3.123 -11.330  -2.849
  118    HB3  LYS  15           HB1      LYS  15  -2.116 -10.110  -2.098
  119    HG2  LYS  15           HG2      LYS  15  -1.511 -11.591  -0.331
  120    HG3  LYS  15           HG1      LYS  15  -2.676 -12.802  -0.883
  121    HD2  LYS  15           HD2      LYS  15  -1.477 -13.036  -2.970
  122    HD3  LYS  15           HD1      LYS  15  -0.342 -11.781  -2.486
  123    HE2  LYS  15           HE2      LYS  15   0.388 -13.202  -0.624
  124    HE3  LYS  15           HE1      LYS  15  -0.746 -14.443  -1.151
  125    HZ1  LYS  15           HZ1      LYS  15   1.465 -13.365  -2.805
  126    HZ2  LYS  15           HZ2      LYS  15   0.456 -14.653  -3.224
  127    HZ3  LYS  15           HZ3      LYS  15   1.543 -14.817  -1.957
  128    HA   PRO  16           HA       PRO  16  -3.799  -8.174   2.336
  129    HB2  PRO  16           HB2      PRO  16  -5.371  -9.253   4.218
  130    HB3  PRO  16           HB1      PRO  16  -6.026  -8.270   2.905
  131    HG2  PRO  16           HG2      PRO  16  -5.978 -11.239   3.205
  132    HG3  PRO  16           HG1      PRO  16  -7.265 -10.193   2.579
  133    HD2  PRO  16           HD2      PRO  16  -5.512 -11.622   1.020
  134    HD3  PRO  16           HD1      PRO  16  -6.368 -10.163   0.481
  135    H    GLN  17           H        GLN  17  -2.062  -8.286   3.467
  136    HA   GLN  17           HA       GLN  17  -0.475  -8.814   4.919
  137    HB2  GLN  17           HB2      GLN  17  -2.185  -9.408   6.507
  138    HB3  GLN  17           HB1      GLN  17  -2.360 -11.001   5.791
  139    HG2  GLN  17           HG2      GLN  17  -0.139 -11.616   6.546
  140    HG3  GLN  17           HG1      GLN  17   0.121  -9.999   7.184
  141   HE21  GLN  17          1HE2      GLN  17  -2.921 -11.686   7.467
  142   HE22  GLN  17          2HE2      GLN  17  -2.834 -11.937   9.167
  143    H    GLY  18           H        GLY  18   1.453  -9.594   4.628
  144    HA2  GLY  18           HA2      GLY  18   2.093 -12.246   4.071
  145    HA3  GLY  18           HA1      GLY  18   2.092 -11.325   2.565
  146    H    GLY  19           H        GLY  19   4.437 -12.399   3.557
  147    HA2  GLY  19           HA2      GLY  19   5.838 -10.437   5.094
  148    HA3  GLY  19           HA1      GLY  19   6.546 -11.831   4.287
  149    H    GLU  20           H        GLU  20   7.061 -11.670   2.091
  150    HA   GLU  20           HA       GLU  20   8.202  -9.150   1.395
  151    HB2  GLU  20           HB2      GLU  20   9.102 -11.455   0.796
  152    HB3  GLU  20           HB1      GLU  20   7.830 -11.542  -0.411
  153    HG2  GLU  20           HG2      GLU  20   9.774 -10.856  -1.544
  154    HG3  GLU  20           HG1      GLU  20   8.763  -9.425  -1.387
  155    H    GLU  21           H        GLU  21   5.361 -10.941   0.542
  156    HA   GLU  21           HA       GLU  21   4.454  -9.676  -1.768
  157    HB2  GLU  21           HB2      GLU  21   3.510 -11.735  -0.732
  158    HB3  GLU  21           HB1      GLU  21   2.800 -10.731   0.514
  159    HG2  GLU  21           HG2      GLU  21   1.123 -11.261  -1.083
  160    HG3  GLU  21           HG1      GLU  21   1.508  -9.548  -1.212
  161    H    GLN  22           H        GLN  22   3.386  -9.054   1.587
  162    HA   GLN  22           HA       GLN  22   2.010  -6.725   0.743
  163    HB2  GLN  22           HB2      GLN  22   1.165  -8.058   2.631
  164    HB3  GLN  22           HB1      GLN  22   2.594  -7.654   3.563
  165    HG2  GLN  22           HG2      GLN  22   0.669  -6.318   4.260
  166    HG3  GLN  22           HG1      GLN  22   1.937  -5.302   3.580
  167   HE21  GLN  22          1HE2      GLN  22   0.537  -3.637   3.093
  168   HE22  GLN  22          2HE2      GLN  22  -0.636  -3.714   1.846
  169    H    ARG  23           H        ARG  23   5.241  -7.375   1.887
  170    HA   ARG  23           HA       ARG  23   5.904  -4.771   2.604
  171    HB2  ARG  23           HB2      ARG  23   7.366  -6.682   3.073
  172    HB3  ARG  23           HB1      ARG  23   7.631  -6.912   1.351
  173    HG2  ARG  23           HG2      ARG  23   8.635  -4.688   1.238
  174    HG3  ARG  23           HG1      ARG  23   8.441  -4.540   2.988
  175    HD2  ARG  23           HD2      ARG  23   9.906  -6.412   3.352
  176    HD3  ARG  23           HD1      ARG  23  10.015  -6.712   1.617
  177    HE   ARG  23           HE       ARG  23  10.995  -4.262   2.892
  178   HH11  ARG  23          HH11      ARG  23  11.475  -6.964   0.606
  179   HH12  ARG  23          HH12      ARG  23  12.979  -6.404   0.049
  180   HH21  ARG  23          HH21      ARG  23  13.082  -3.501   2.099
  181   HH22  ARG  23          HH22      ARG  23  13.901  -4.368   0.891
  182    H    ARG  24           H        ARG  24   5.639  -6.359  -0.549
  183    HA   ARG  24           HA       ARG  24   6.767  -4.262  -2.083
  184    HB2  ARG  24           HB2      ARG  24   4.495  -6.088  -2.915
  185    HB3  ARG  24           HB1      ARG  24   5.470  -5.108  -3.991
  186    HG2  ARG  24           HG2      ARG  24   7.445  -6.473  -3.252
  187    HG3  ARG  24           HG1      ARG  24   6.294  -7.546  -2.448
  188    HD2  ARG  24           HD2      ARG  24   6.392  -6.855  -5.370
  189    HD3  ARG  24           HD1      ARG  24   6.824  -8.405  -4.652
  190    HE   ARG  24           HE       ARG  24   4.370  -8.377  -3.911
  191   HH11  ARG  24          HH11      ARG  24   5.540  -7.042  -6.994
  192   HH12  ARG  24          HH12      ARG  24   4.086  -7.360  -7.819
  193   HH21  ARG  24          HH21      ARG  24   2.453  -8.789  -5.007
  194   HH22  ARG  24          HH22      ARG  24   2.221  -8.338  -6.644
  195    H    CYS  25           H        CYS  25   3.445  -5.023  -1.142
  196    HA   CYS  25           HA       CYS  25   2.303  -2.665  -2.103
  197    HB2  CYS  25           HB2      CYS  25   1.442  -4.536   0.061
  198    HB3  CYS  25           HB1      CYS  25   0.575  -3.031  -0.208
  199    H    GLN  26           H        GLN  26   3.878  -3.258   0.993
  200    HA   GLN  26           HA       GLN  26   3.218  -0.791   2.126
  201    HB2  GLN  26           HB2      GLN  26   5.692  -2.469   2.592
  202    HB3  GLN  26           HB1      GLN  26   5.235  -1.080   3.564
  203    HG2  GLN  26           HG2      GLN  26   3.725  -3.671   3.298
  204    HG3  GLN  26           HG1      GLN  26   4.622  -3.112   4.706
  205   HE21  GLN  26          1HE2      GLN  26   3.758  -1.417   5.933
  206   HE22  GLN  26          2HE2      GLN  26   2.092  -0.996   5.849
  207    H    GLN  27           H        GLN  27   6.045  -1.736   0.212
  208    HA   GLN  27           HA       GLN  27   7.204   0.831   0.234
  209    HB2  GLN  27           HB2      GLN  27   7.506  -1.359  -1.813
  210    HB3  GLN  27           HB1      GLN  27   8.496   0.093  -1.726
  211    HG2  GLN  27           HG2      GLN  27   9.233  -0.579   0.521
  212    HG3  GLN  27           HG1      GLN  27   8.292  -2.058   0.364
  213   HE21  GLN  27          1HE2      GLN  27  10.096  -0.597  -2.267
  214   HE22  GLN  27          2HE2      GLN  27  11.278  -1.837  -2.374
  215    H    GLU  28           H        GLU  28   5.005  -0.671  -2.066
  216    HA   GLU  28           HA       GLU  28   5.016   1.553  -3.807
  217    HB2  GLU  28           HB2      GLU  28   2.965  -0.633  -3.477
  218    HB3  GLU  28           HB1      GLU  28   2.974   0.537  -4.789
  219    HG2  GLU  28           HG2      GLU  28   5.181  -1.435  -4.207
  220    HG3  GLU  28           HG1      GLU  28   3.941  -1.632  -5.440
  221    H    CYS  29           H        CYS  29   2.707   0.579  -1.307
  222    HA   CYS  29           HA       CYS  29   0.967   2.746  -1.773
  223    HB2  CYS  29           HB2      CYS  29   0.497   0.482  -0.633
  224    HB3  CYS  29           HB1      CYS  29   1.175   1.228   0.810
  225    H    GLU  30           H        GLU  30   3.442   2.162   0.784
  226    HA   GLU  30           HA       GLU  30   2.822   4.599   2.066
  227    HB2  GLU  30           HB2      GLU  30   5.234   2.836   2.436
  228    HB3  GLU  30           HB1      GLU  30   4.785   4.176   3.477
  229    HG2  GLU  30           HG2      GLU  30   3.316   1.584   3.071
  230    HG3  GLU  30           HG1      GLU  30   4.100   2.160   4.539
  231    H    GLU  31           H        GLU  31   5.096   3.801  -0.481
  232    HA   GLU  31           HA       GLU  31   6.415   6.305  -0.086
  233    HB2  GLU  31           HB2      GLU  31   6.713   4.123  -2.068
  234    HB3  GLU  31           HB1      GLU  31   7.270   5.719  -2.544
  235    HG2  GLU  31           HG2      GLU  31   9.093   4.371  -1.654
  236    HG3  GLU  31           HG1      GLU  31   8.791   5.772  -0.644
  237    H    ARG  32           H        ARG  32   3.657   5.274  -1.917
  238    HA   ARG  32           HA       ARG  32   3.651   7.684  -3.535
  239    HB2  ARG  32           HB2      ARG  32   1.410   5.713  -3.092
  240    HB3  ARG  32           HB1      ARG  32   1.446   6.965  -4.327
  241    HG2  ARG  32           HG2      ARG  32   3.443   5.831  -5.291
  242    HG3  ARG  32           HG1      ARG  32   3.198   4.572  -4.078
  243    HD2  ARG  32           HD2      ARG  32   1.261   5.353  -6.258
  244    HD3  ARG  32           HD1      ARG  32   2.229   3.885  -6.200
  245    HE   ARG  32           HE       ARG  32   0.308   4.406  -4.055
  246   HH11  ARG  32          HH11      ARG  32   1.347   2.343  -6.729
  247   HH12  ARG  32          HH12      ARG  32   0.022   1.310  -6.666
  248   HH21  ARG  32          HH21      ARG  32  -1.512   2.918  -3.897
  249   HH22  ARG  32          HH22      ARG  32  -1.663   1.632  -4.999
  250    H    LEU  33           H        LEU  33   2.019   6.479  -0.718
  251    HA   LEU  33           HA       LEU  33   0.375   8.843  -0.358
  252    HB2  LEU  33           HB2      LEU  33   1.009   6.618   1.564
  253    HB3  LEU  33           HB1      LEU  33  -0.230   7.834   1.779
  254    HG   LEU  33           HG       LEU  33  -0.216   5.756  -0.402
  255   HD11  LEU  33          HD11      LEU  33  -1.824   5.945   2.129
  256   HD12  LEU  33          HD12      LEU  33  -0.499   4.821   1.828
  257   HD13  LEU  33          HD13      LEU  33  -1.980   4.708   0.878
  258   HD21  LEU  33          HD21      LEU  33  -2.522   6.483  -0.751
  259   HD22  LEU  33          HD22      LEU  33  -1.385   7.797  -1.038
  260   HD23  LEU  33          HD23      LEU  33  -2.311   7.742   0.464
  261    H    ARG  34           H        ARG  34   3.435   7.708   0.674
  262    HA   ARG  34           HA       ARG  34   5.131   8.477   1.869
  263    HB2  ARG  34           HB2      ARG  34   4.840  10.599   0.596
  264    HB3  ARG  34           HB1      ARG  34   3.735  11.172   1.832
  265    HG2  ARG  34           HG2      ARG  34   5.695  10.810   3.458
  266    HG3  ARG  34           HG1      ARG  34   6.694  10.749   2.002
  267    HD2  ARG  34           HD2      ARG  34   6.681  12.994   2.818
  268    HD3  ARG  34           HD1      ARG  34   5.732  12.934   1.330
  269    HE   ARG  34           HE       ARG  34   4.236  12.645   3.812
  270   HH11  ARG  34          HH11      ARG  34   5.287  14.896   1.293
  271   HH12  ARG  34          HH12      ARG  34   4.065  16.026   1.638
  272   HH21  ARG  34          HH21      ARG  34   2.629  14.110   4.235
  273   HH22  ARG  34          HH22      ARG  34   2.490  15.586   3.366
  274    H    ASP  35           H        ASP  35   2.839  10.637   3.304
  275    HA   ASP  35           HA       ASP  35   1.958   9.373   5.532
  276    HB2  ASP  35           HB2      ASP  35   4.276   8.991   6.252
  277    HB3  ASP  35           HB1      ASP  35   4.640  10.700   6.038
  Start of MODEL   10
    1    H    PCA   1           H        PGL   1  -3.735  10.984   3.760
    2    HA   PCA   1           HA       PGL   1  -2.807   8.648   3.943
    3    HB2  PCA   1           HB1      PGL   1  -3.010   7.814   6.055
    4    HB3  PCA   1           HB2      PGL   1  -4.762   7.624   5.775
    5    HG2  PCA   1           HG1      PGL   1  -3.379   9.654   7.364
    6    HG3  PCA   1           HG2      PGL   1  -5.142   9.344   7.203
    7    H    LYS   2           H        LYS   2  -5.299  10.183   2.809
    8    HA   LYS   2           HA       LYS   2  -7.389   8.361   2.505
    9    HB2  LYS   2           HB2      LYS   2  -6.571  10.687   0.793
   10    HB3  LYS   2           HB1      LYS   2  -8.057   9.779   0.579
   11    HG2  LYS   2           HG2      LYS   2  -8.760  10.400   2.830
   12    HG3  LYS   2           HG1      LYS   2  -7.271  11.326   3.030
   13    HD2  LYS   2           HD2      LYS   2  -7.889  12.806   1.254
   14    HD3  LYS   2           HD1      LYS   2  -9.291  11.812   0.853
   15    HE2  LYS   2           HE2      LYS   2  -8.845  13.300   3.428
   16    HE3  LYS   2           HE1      LYS   2  -9.927  13.782   2.125
   17    HZ1  LYS   2           HZ1      LYS   2 -11.198  12.689   3.828
   18    HZ2  LYS   2           HZ2      LYS   2 -10.191  11.342   3.813
   19    HZ3  LYS   2           HZ3      LYS   2 -11.152  11.685   2.479
   20    H    GLU   3           H        GLU   3  -4.719   9.113   0.336
   21    HA   GLU   3           HA       GLU   3  -5.549   7.300  -1.687
   22    HB2  GLU   3           HB2      GLU   3  -4.068   9.213  -2.166
   23    HB3  GLU   3           HB1      GLU   3  -2.822   8.490  -1.160
   24    HG2  GLU   3           HG2      GLU   3  -2.811   6.537  -2.691
   25    HG3  GLU   3           HG1      GLU   3  -3.915   7.428  -3.736
   26    H    THR   4           H        THR   4  -3.379   7.232   0.905
   27    HA   THR   4           HA       THR   4  -2.082   4.787   0.563
   28    HB   THR   4           HB       THR   4  -2.881   6.000   3.180
   29    HG1  THR   4           HG1      THR   4  -0.484   6.624   1.872
   30   HG21  THR   4          HG21      THR   4  -1.726   3.823   3.274
   31   HG22  THR   4          HG22      THR   4  -0.712   5.113   3.924
   32   HG23  THR   4          HG23      THR   4  -0.415   4.489   2.301
   33    H    GLU   5           H        GLU   5  -5.074   5.614   2.257
   34    HA   GLU   5           HA       GLU   5  -5.660   3.066   3.202
   35    HB2  GLU   5           HB2      GLU   5  -6.684   4.992   4.190
   36    HB3  GLU   5           HB1      GLU   5  -7.419   5.450   2.665
   37    HG2  GLU   5           HG2      GLU   5  -8.969   3.690   2.770
   38    HG3  GLU   5           HG1      GLU   5  -8.081   2.888   4.063
   39    H    ILE   6           H        ILE   6  -6.677   4.692   0.219
   40    HA   ILE   6           HA       ILE   6  -8.367   2.621  -0.762
   41    HB   ILE   6           HB       ILE   6  -6.651   4.485  -2.424
   42   HG12  ILE   6          HG12      ILE   6  -9.478   4.970  -1.478
   43   HG13  ILE   6          HG11      ILE   6  -8.049   5.695  -0.742
   44   HG21  ILE   6          HG21      ILE   6  -9.244   3.067  -3.037
   45   HG22  ILE   6          HG22      ILE   6  -7.655   2.652  -3.673
   46   HG23  ILE   6          HG23      ILE   6  -8.406   4.189  -4.108
   47   HD11  ILE   6          HD11      ILE   6  -8.969   6.070  -3.578
   48   HD12  ILE   6          HD12      ILE   6  -7.502   6.736  -2.867
   49   HD13  ILE   6          HD13      ILE   6  -9.080   7.256  -2.268
   50    H    CYS   7           H        CYS   7  -5.060   3.481  -1.399
   51    HA   CYS   7           HA       CYS   7  -4.277   1.495  -3.090
   52    HB2  CYS   7           HB2      CYS   7  -2.914   3.395  -2.810
   53    HB3  CYS   7           HB1      CYS   7  -2.819   3.170  -1.078
   54    H    ARG   8           H        ARG   8  -4.135   1.387   0.490
   55    HA   ARG   8           HA       ARG   8  -3.130  -1.280   0.329
   56    HB2  ARG   8           HB2      ARG   8  -2.514   0.257   2.208
   57    HB3  ARG   8           HB1      ARG   8  -4.160   0.166   2.798
   58    HG2  ARG   8           HG2      ARG   8  -2.513  -2.324   2.476
   59    HG3  ARG   8           HG1      ARG   8  -2.333  -1.309   3.900
   60    HD2  ARG   8           HD2      ARG   8  -4.583  -1.694   4.555
   61    HD3  ARG   8           HD1      ARG   8  -4.989  -2.379   2.986
   62    HE   ARG   8           HE       ARG   8  -3.817  -4.332   3.530
   63   HH11  ARG   8          HH11      ARG   8  -3.960  -2.078   6.256
   64   HH12  ARG   8          HH12      ARG   8  -3.723  -3.245   7.452
   65   HH21  ARG   8          HH21      ARG   8  -3.488  -5.950   5.157
   66   HH22  ARG   8          HH22      ARG   8  -3.390  -5.526   6.807
   67    H    GLN   9           H        GLN   9  -6.289   0.162   0.613
   68    HA   GLN   9           HA       GLN   9  -7.770  -2.082   1.427
   69    HB2  GLN   9           HB2      GLN   9  -8.770   0.139   1.367
   70    HB3  GLN   9           HB1      GLN   9  -8.548   0.226  -0.370
   71    HG2  GLN   9           HG2      GLN   9 -10.864  -0.195   0.170
   72    HG3  GLN   9           HG1      GLN   9 -10.176  -1.585  -0.663
   73   HE21  GLN   9          1HE2      GLN   9  -9.895  -3.492   0.473
   74   HE22  GLN   9          2HE2      GLN   9 -10.671  -3.777   1.995
   75    H    TRP  10           H        TRP  10  -6.807  -0.952  -1.759
   76    HA   TRP  10           HA       TRP  10  -7.979  -2.861  -3.399
   77    HB2  TRP  10           HB2      TRP  10  -6.810  -0.835  -4.182
   78    HB3  TRP  10           HB1      TRP  10  -5.281  -1.512  -3.651
   79    HD1  TRP  10           HD       TRP  10  -7.880  -1.794  -6.433
   80    HE1  TRP  10           HE1      TRP  10  -6.814  -3.085  -8.407
   81    HE3  TRP  10          3HE       TRP  10  -3.558  -3.262  -4.208
   82    HZ2  TRP  10           HZ2      TRP  10  -4.465  -4.523  -8.934
   83    HZ3  TRP  10           HZ3      TRP  10  -1.933  -4.597  -5.506
   84    HH2  TRP  10           HH       TRP  10  -2.390  -5.214  -7.820
   85    H    CYS  11           H        CYS  11  -4.906  -2.954  -1.701
   86    HA   CYS  11           HA       CYS  11  -4.146  -5.521  -2.579
   87    HB2  CYS  11           HB2      CYS  11  -3.258  -3.922  -0.191
   88    HB3  CYS  11           HB1      CYS  11  -2.457  -5.375  -0.792
   89    H    GLN  12           H        GLN  12  -5.910  -4.398   0.282
   90    HA   GLN  12           HA       GLN  12  -6.030  -6.842   1.590
   91    HB2  GLN  12           HB2      GLN  12  -7.765  -4.426   1.684
   92    HB3  GLN  12           HB1      GLN  12  -8.319  -5.892   2.480
   93    HG2  GLN  12           HG2      GLN  12  -5.762  -4.424   3.008
   94    HG3  GLN  12           HG1      GLN  12  -7.202  -4.428   4.029
   95   HE21  GLN  12          1HE2      GLN  12  -7.725  -6.316   5.152
   96   HE22  GLN  12          2HE2      GLN  12  -6.579  -7.553   5.464
   97    H    VAL  13           H        VAL  13  -7.841  -5.550  -1.067
   98    HA   VAL  13           HA       VAL  13  -9.904  -7.536  -1.098
   99    HB   VAL  13           HB       VAL  13  -8.942  -5.668  -3.299
  100   HG11  VAL  13          HG11      VAL  13 -10.142  -7.563  -4.238
  101   HG12  VAL  13          HG12      VAL  13 -11.100  -6.087  -4.375
  102   HG13  VAL  13          3HG1      VAL  13 -11.483  -7.276  -3.128
  103   HG21  VAL  13          HG21      VAL  13  -9.786  -4.458  -1.384
  104   HG22  VAL  13          HG22      VAL  13 -11.254  -5.433  -1.389
  105   HG23  VAL  13          HG23      VAL  13 -10.921  -4.336  -2.730
  106    H    MET  14           H        MET  14  -6.811  -7.084  -2.621
  107    HA   MET  14           HA       MET  14  -6.944  -9.279  -4.415
  108    HB2  MET  14           HB2      MET  14  -5.414  -7.373  -4.713
  109    HB3  MET  14           HB1      MET  14  -4.550  -7.851  -3.269
  110    HG2  MET  14           HG2      MET  14  -3.804  -9.883  -4.321
  111    HG3  MET  14           HG1      MET  14  -4.766  -9.527  -5.757
  112    HE1  MET  14           HE1      MET  14  -1.058  -9.015  -6.979
  113    HE2  MET  14           HE2      MET  14  -2.573  -9.872  -7.261
  114    HE3  MET  14          3HE       MET  14  -1.630 -10.205  -5.808
  115    H    LYS  15           H        LYS  15  -5.217  -8.875  -1.322
  116    HA   LYS  15           HA       LYS  15  -5.755 -11.589  -0.621
  117    HB2  LYS  15           HB2      LYS  15  -3.733 -11.793  -2.067
  118    HB3  LYS  15           HB1      LYS  15  -2.877 -10.703  -0.986
  119    HG2  LYS  15           HG2      LYS  15  -3.149 -12.323   0.847
  120    HG3  LYS  15           HG1      LYS  15  -3.979 -13.418  -0.256
  121    HD2  LYS  15           HD2      LYS  15  -1.129 -12.449  -0.547
  122    HD3  LYS  15           HD1      LYS  15  -1.613 -14.034   0.045
  123    HE2  LYS  15           HE2      LYS  15  -2.674 -14.498  -2.131
  124    HE3  LYS  15           HE1      LYS  15  -2.156 -12.918  -2.706
  125    HZ1  LYS  15           HZ1      LYS  15  -0.379 -15.159  -1.911
  126    HZ2  LYS  15           HZ2      LYS  15   0.150 -13.609  -2.326
  127    HZ3  LYS  15           HZ3      LYS  15  -0.620 -14.562  -3.471
  128    HA   PRO  16           HA       PRO  16  -5.995  -8.758   2.924
  129    HB2  PRO  16           HB2      PRO  16  -6.932 -11.278   4.175
  130    HB3  PRO  16           HB1      PRO  16  -7.680  -9.679   4.174
  131    HG2  PRO  16           HG2      PRO  16  -8.669 -11.665   2.692
  132    HG3  PRO  16           HG1      PRO  16  -8.664  -9.991   2.114
  133    HD2  PRO  16           HD2      PRO  16  -6.897 -12.263   1.344
  134    HD3  PRO  16           HD1      PRO  16  -7.536 -10.932   0.356
  135    H    GLN  17           H        GLN  17  -4.201  -8.369   3.924
  136    HA   GLN  17           HA       GLN  17  -2.172  -8.542   4.914
  137    HB2  GLN  17           HB2      GLN  17  -3.519 -10.881   6.280
  138    HB3  GLN  17           HB1      GLN  17  -1.990 -10.182   6.794
  139    HG2  GLN  17           HG2      GLN  17  -3.090  -8.060   7.222
  140    HG3  GLN  17           HG1      GLN  17  -4.622  -8.732   6.680
  141   HE21  GLN  17          1HE2      GLN  17  -5.682 -10.177   7.991
  142   HE22  GLN  17          2HE2      GLN  17  -5.278 -10.413   9.651
  143    H    GLY  18           H        GLY  18  -1.990  -9.357   2.490
  144    HA2  GLY  18           HA2      GLY  18  -1.027 -11.994   2.095
  145    HA3  GLY  18           HA1      GLY  18  -0.822 -10.636   1.000
  146    H    GLY  19           H        GLY  19   1.176 -12.488   1.366
  147    HA2  GLY  19           HA2      GLY  19   3.040 -11.494   3.285
  148    HA3  GLY  19           HA1      GLY  19   3.343 -12.744   2.077
  149    H    GLU  20           H        GLU  20   4.155 -12.166   0.072
  150    HA   GLU  20           HA       GLU  20   5.657  -9.773   0.119
  151    HB2  GLU  20           HB2      GLU  20   5.274 -11.747  -2.124
  152    HB3  GLU  20           HB1      GLU  20   6.404 -10.399  -2.158
  153    HG2  GLU  20           HG2      GLU  20   6.457 -12.776  -0.323
  154    HG3  GLU  20           HG1      GLU  20   7.609 -12.371  -1.593
  155    H    GLU  21           H        GLU  21   2.604 -10.625  -1.221
  156    HA   GLU  21           HA       GLU  21   2.250  -8.570  -3.073
  157    HB2  GLU  21           HB2      GLU  21   0.261  -9.943  -1.275
  158    HB3  GLU  21           HB1      GLU  21  -0.222  -8.736  -2.445
  159    HG2  GLU  21           HG2      GLU  21  -0.619 -10.931  -3.314
  160    HG3  GLU  21           HG1      GLU  21   0.666 -10.161  -4.237
  161    H    GLN  22           H        GLN  22   1.332  -8.616   0.372
  162    HA   GLN  22           HA       GLN  22   0.443  -5.927   0.317
  163    HB2  GLN  22           HB2      GLN  22  -0.394  -7.610   1.952
  164    HB3  GLN  22           HB1      GLN  22   1.176  -7.598   2.735
  165    HG2  GLN  22           HG2      GLN  22  -0.441  -6.265   3.977
  166    HG3  GLN  22           HG1      GLN  22   0.864  -5.257   3.356
  167   HE21  GLN  22          1HE2      GLN  22   0.427  -3.794   1.753
  168   HE22  GLN  22          2HE2      GLN  22  -1.179  -3.296   1.330
  169    H    ARG  23           H        ARG  23   3.466  -7.465   0.984
  170    HA   ARG  23           HA       ARG  23   4.879  -5.270   2.046
  171    HB2  ARG  23           HB2      ARG  23   5.768  -7.683   0.478
  172    HB3  ARG  23           HB1      ARG  23   6.899  -6.470   1.049
  173    HG2  ARG  23           HG2      ARG  23   5.058  -8.043   2.836
  174    HG3  ARG  23           HG1      ARG  23   6.736  -8.475   2.508
  175    HD2  ARG  23           HD2      ARG  23   5.743  -5.934   3.802
  176    HD3  ARG  23           HD1      ARG  23   6.601  -7.255   4.596
  177    HE   ARG  23           HE       ARG  23   8.318  -6.568   2.680
  178   HH11  ARG  23          HH11      ARG  23   6.622  -4.575   5.058
  179   HH12  ARG  23          HH12      ARG  23   7.786  -3.353   5.114
  180   HH21  ARG  23          HH21      ARG  23   9.953  -4.928   2.744
  181   HH22  ARG  23          HH22      ARG  23   9.767  -3.563   3.766
  182    H    ARG  24           H        ARG  24   4.769  -6.519  -1.304
  183    HA   ARG  24           HA       ARG  24   6.205  -4.420  -2.461
  184    HB2  ARG  24           HB2      ARG  24   5.820  -6.577  -3.586
  185    HB3  ARG  24           HB1      ARG  24   4.110  -6.212  -3.717
  186    HG2  ARG  24           HG2      ARG  24   5.355  -5.887  -5.836
  187    HG3  ARG  24           HG1      ARG  24   4.557  -4.422  -5.270
  188    HD2  ARG  24           HD2      ARG  24   6.872  -4.046  -6.113
  189    HD3  ARG  24           HD1      ARG  24   6.628  -3.532  -4.447
  190    HE   ARG  24           HE       ARG  24   7.642  -6.205  -4.736
  191   HH11  ARG  24          HH11      ARG  24   8.567  -2.782  -4.517
  192   HH12  ARG  24          HH12      ARG  24  10.094  -3.073  -3.854
  193   HH21  ARG  24          HH21      ARG  24   9.741  -6.630  -3.832
  194   HH22  ARG  24          HH22      ARG  24  10.799  -5.324  -3.471
  195    H    CYS  25           H        CYS  25   2.755  -4.904  -1.992
  196    HA   CYS  25           HA       CYS  25   1.659  -2.666  -3.086
  197    HB2  CYS  25           HB2      CYS  25   1.066  -4.149  -0.570
  198    HB3  CYS  25           HB1      CYS  25   0.155  -2.712  -0.992
  199    H    GLN  26           H        GLN  26   2.956  -2.890   0.265
  200    HA   GLN  26           HA       GLN  26   2.528  -0.138   0.682
  201    HB2  GLN  26           HB2      GLN  26   4.233  -2.069   2.248
  202    HB3  GLN  26           HB1      GLN  26   3.928  -0.407   2.735
  203    HG2  GLN  26           HG2      GLN  26   1.477  -0.951   2.697
  204    HG3  GLN  26           HG1      GLN  26   1.932  -2.638   2.472
  205   HE21  GLN  26          1HE2      GLN  26   2.882  -3.768   4.210
  206   HE22  GLN  26          2HE2      GLN  26   2.863  -3.119   5.798
  207    H    GLN  27           H        GLN  27   5.282  -1.926  -0.496
  208    HA   GLN  27           HA       GLN  27   7.213   0.074  -0.309
  209    HB2  GLN  27           HB2      GLN  27   6.892  -2.059  -2.421
  210    HB3  GLN  27           HB1      GLN  27   8.304  -1.028  -2.273
  211    HG2  GLN  27           HG2      GLN  27   7.318  -3.004  -0.231
  212    HG3  GLN  27           HG1      GLN  27   8.707  -3.205  -1.296
  213   HE21  GLN  27          1HE2      GLN  27  10.541  -1.917  -0.940
  214   HE22  GLN  27          2HE2      GLN  27  10.854  -1.210   0.599
  215    H    GLU  28           H        GLU  28   5.003  -0.604  -3.025
  216    HA   GLU  28           HA       GLU  28   5.883   1.772  -4.376
  217    HB2  GLU  28           HB2      GLU  28   4.176   1.214  -6.073
  218    HB3  GLU  28           HB1      GLU  28   5.230  -0.140  -5.715
  219    HG2  GLU  28           HG2      GLU  28   3.482  -1.102  -4.288
  220    HG3  GLU  28           HG1      GLU  28   2.427   0.249  -4.699
  221    H    CYS  29           H        CYS  29   3.299   0.913  -2.266
  222    HA   CYS  29           HA       CYS  29   1.470   2.986  -2.721
  223    HB2  CYS  29           HB2      CYS  29   1.396   0.818  -1.227
  224    HB3  CYS  29           HB1      CYS  29   2.007   1.897   0.015
  225    H    GLU  30           H        GLU  30   4.129   2.684  -0.351
  226    HA   GLU  30           HA       GLU  30   3.863   5.344   0.590
  227    HB2  GLU  30           HB2      GLU  30   6.027   3.281   0.897
  228    HB3  GLU  30           HB1      GLU  30   6.040   4.837   1.714
  229    HG2  GLU  30           HG2      GLU  30   3.961   2.685   2.027
  230    HG3  GLU  30           HG1      GLU  30   5.264   3.047   3.159
  231    H    GLU  31           H        GLU  31   5.636   3.747  -1.917
  232    HA   GLU  31           HA       GLU  31   7.655   5.622  -2.414
  233    HB2  GLU  31           HB2      GLU  31   7.495   3.330  -3.405
  234    HB3  GLU  31           HB1      GLU  31   6.199   3.918  -4.429
  235    HG2  GLU  31           HG2      GLU  31   8.330   3.812  -5.604
  236    HG3  GLU  31           HG1      GLU  31   7.699   5.457  -5.510
  237    H    ARG  32           H        ARG  32   4.402   5.306  -3.743
  238    HA   ARG  32           HA       ARG  32   4.561   7.682  -5.321
  239    HB2  ARG  32           HB2      ARG  32   3.066   5.824  -5.882
  240    HB3  ARG  32           HB1      ARG  32   2.162   6.094  -4.402
  241    HG2  ARG  32           HG2      ARG  32   1.496   8.301  -5.219
  242    HG3  ARG  32           HG1      ARG  32   2.386   8.010  -6.714
  243    HD2  ARG  32           HD2      ARG  32   0.020   7.556  -7.020
  244    HD3  ARG  32           HD1      ARG  32   0.961   6.071  -7.173
  245    HE   ARG  32           HE       ARG  32   0.007   6.529  -4.532
  246   HH11  ARG  32          HH11      ARG  32  -1.074   5.397  -7.684
  247   HH12  ARG  32          HH12      ARG  32  -2.201   4.277  -7.069
  248   HH21  ARG  32          HH21      ARG  32  -1.544   5.003  -3.674
  249   HH22  ARG  32          HH22      ARG  32  -2.531   4.104  -4.737
  250    H    LEU  33           H        LEU  33   3.481   6.900  -2.109
  251    HA   LEU  33           HA       LEU  33   2.043   9.277  -1.561
  252    HB2  LEU  33           HB2      LEU  33   1.806   7.195  -0.269
  253    HB3  LEU  33           HB1      LEU  33   3.447   7.380   0.310
  254    HG   LEU  33           HG       LEU  33   2.763   9.449   1.490
  255   HD11  LEU  33          HD11      LEU  33   0.394   9.902   1.807
  256   HD12  LEU  33          HD12      LEU  33   0.001   8.658   0.617
  257   HD13  LEU  33          HD13      LEU  33   0.893  10.101   0.130
  258   HD21  LEU  33          HD21      LEU  33   2.858   7.362   2.691
  259   HD22  LEU  33          HD22      LEU  33   1.242   6.939   2.145
  260   HD23  LEU  33          HD23      LEU  33   1.468   8.296   3.248
  261    H    ARG  34           H        ARG  34   5.346   8.260  -0.822
  262    HA   ARG  34           HA       ARG  34   6.106  10.823   0.234
  263    HB2  ARG  34           HB2      ARG  34   7.063   8.730   1.078
  264    HB3  ARG  34           HB1      ARG  34   7.683   8.357  -0.516
  265    HG2  ARG  34           HG2      ARG  34   9.132  10.356  -0.364
  266    HG3  ARG  34           HG1      ARG  34   8.546  10.593   1.288
  267    HD2  ARG  34           HD2      ARG  34   9.390   8.439   1.947
  268    HD3  ARG  34           HD1      ARG  34   9.873   8.086   0.292
  269    HE   ARG  34           HE       ARG  34  11.085  10.085   2.055
  270   HH11  ARG  34          HH11      ARG  34  11.250   8.057  -0.856
  271   HH12  ARG  34          HH12      ARG  34  12.925   8.246  -1.058
  272   HH21  ARG  34          HH21      ARG  34  13.409  10.329   1.747
  273   HH22  ARG  34          HH22      ARG  34  14.170   9.544   0.420
  274    H    ASP  35           H        ASP  35   6.239  12.439  -1.185
  275    HA   ASP  35           HA       ASP  35   6.940  11.828  -3.941
  276    HB2  ASP  35           HB2      ASP  35   4.885  13.173  -3.397
  277    HB3  ASP  35           HB1      ASP  35   5.953  14.448  -2.816
  Start of MODEL   11
    1    H    PCA   1           H        PGL   1  -5.896  10.487   6.098
    2    HA   PCA   1           HA       PGL   1  -4.469   8.506   5.526
    3    HB2  PCA   1           HB1      PGL   1  -4.271   7.145   7.353
    4    HB3  PCA   1           HB2      PGL   1  -5.892   6.501   6.972
    5    HG2  PCA   1           HG1      PGL   1  -5.107   8.385   9.087
    6    HG3  PCA   1           HG2      PGL   1  -6.674   7.544   8.839
    7    H    LYS   2           H        LYS   2  -7.095   9.669   4.581
    8    HA   LYS   2           HA       LYS   2  -8.808   7.583   3.882
    9    HB2  LYS   2           HB2      LYS   2  -9.440   9.964   3.975
   10    HB3  LYS   2           HB1      LYS   2  -8.415  10.278   2.584
   11    HG2  LYS   2           HG2      LYS   2 -10.703  10.159   1.912
   12    HG3  LYS   2           HG1      LYS   2  -9.791   8.788   1.250
   13    HD2  LYS   2           HD2      LYS   2 -10.661   7.342   3.009
   14    HD3  LYS   2           HD1      LYS   2 -11.555   8.694   3.712
   15    HE2  LYS   2           HE2      LYS   2 -12.861   8.843   1.626
   16    HE3  LYS   2           HE1      LYS   2 -11.965   7.462   0.992
   17    HZ1  LYS   2           HZ1      LYS   2 -13.733   7.462   3.376
   18    HZ2  LYS   2           HZ2      LYS   2 -12.834   6.140   2.855
   19    HZ3  LYS   2           HZ3      LYS   2 -14.069   6.740   1.888
   20    H    GLU   3           H        GLU   3  -6.190   9.203   2.164
   21    HA   GLU   3           HA       GLU   3  -6.560   7.728  -0.233
   22    HB2  GLU   3           HB2      GLU   3  -4.149   9.276   0.707
   23    HB3  GLU   3           HB1      GLU   3  -4.382   8.660  -0.916
   24    HG2  GLU   3           HG2      GLU   3  -6.399  10.084  -1.117
   25    HG3  GLU   3           HG1      GLU   3  -6.027  10.769   0.465
   26    H    THR   4           H        THR   4  -4.761   7.352   2.592
   27    HA   THR   4           HA       THR   4  -2.993   5.287   1.902
   28    HB   THR   4           HB       THR   4  -4.324   5.643   4.554
   29    HG1  THR   4           HG1      THR   4  -2.172   7.057   4.623
   30   HG21  THR   4          HG21      THR   4  -2.794   3.739   4.327
   31   HG22  THR   4          HG22      THR   4  -2.124   4.949   5.418
   32   HG23  THR   4          HG23      THR   4  -1.519   4.820   3.766
   33    H    GLU   5           H        GLU   5  -6.235   5.262   3.394
   34    HA   GLU   5           HA       GLU   5  -6.497   2.517   3.706
   35    HB2  GLU   5           HB2      GLU   5  -7.877   4.346   4.742
   36    HB3  GLU   5           HB1      GLU   5  -8.710   4.491   3.204
   37    HG2  GLU   5           HG2      GLU   5 -10.046   3.172   4.650
   38    HG3  GLU   5           HG1      GLU   5  -9.367   2.115   3.408
   39    H    ILE   6           H        ILE   6  -7.658   4.656   1.099
   40    HA   ILE   6           HA       ILE   6  -8.891   2.783  -0.587
   41    HB   ILE   6           HB       ILE   6  -7.261   5.202  -1.412
   42   HG12  ILE   6          HG12      ILE   6 -10.245   5.000  -1.013
   43   HG13  ILE   6          HG11      ILE   6  -9.133   5.635   0.199
   44   HG21  ILE   6          HG21      ILE   6  -7.669   3.691  -3.309
   45   HG22  ILE   6          HG22      ILE   6  -8.583   5.187  -3.484
   46   HG23  ILE   6          HG23      ILE   6  -9.396   3.715  -2.963
   47   HD11  ILE   6          HD11      ILE   6 -10.159   7.440  -1.035
   48   HD12  ILE   6          HD12      ILE   6  -9.574   6.734  -2.552
   49   HD13  ILE   6          HD13      ILE   6  -8.422   7.335  -1.361
   50    H    CYS   7           H        CYS   7  -5.630   4.032  -0.692
   51    HA   CYS   7           HA       CYS   7  -4.462   2.506  -2.671
   52    HB2  CYS   7           HB2      CYS   7  -3.339   4.398  -1.669
   53    HB3  CYS   7           HB1      CYS   7  -3.302   3.603  -0.105
   54    H    ARG   8           H        ARG   8  -4.676   1.778   0.796
   55    HA   ARG   8           HA       ARG   8  -3.408  -0.714   0.593
   56    HB2  ARG   8           HB2      ARG   8  -3.422   0.451   2.699
   57    HB3  ARG   8           HB1      ARG   8  -5.174   0.446   2.750
   58    HG2  ARG   8           HG2      ARG   8  -4.256  -1.196   4.293
   59    HG3  ARG   8           HG1      ARG   8  -5.158  -1.993   3.008
   60    HD2  ARG   8           HD2      ARG   8  -3.056  -2.487   1.852
   61    HD3  ARG   8           HD1      ARG   8  -2.165  -1.712   3.165
   62    HE   ARG   8           HE       ARG   8  -3.930  -3.849   3.967
   63   HH11  ARG   8          HH11      ARG   8  -0.689  -3.110   2.825
   64   HH12  ARG   8          HH12      ARG   8   0.064  -4.370   3.700
   65   HH21  ARG   8          HH21      ARG   8  -2.969  -5.602   5.084
   66   HH22  ARG   8          HH22      ARG   8  -1.293  -5.867   5.039
   67    H    GLN   9           H        GLN   9  -6.800   0.240   0.338
   68    HA   GLN   9           HA       GLN   9  -8.006  -2.286   0.631
   69    HB2  GLN   9           HB2      GLN   9  -8.882   0.048  -1.060
   70    HB3  GLN   9           HB1      GLN   9  -9.869  -1.382  -0.804
   71    HG2  GLN   9           HG2      GLN   9  -9.909  -0.894   1.590
   72    HG3  GLN   9           HG1      GLN   9  -8.923   0.539   1.304
   73   HE21  GLN   9          1HE2      GLN   9 -12.030  -0.893   0.961
   74   HE22  GLN   9          2HE2      GLN   9 -12.881   0.542   0.518
   75    H    TRP  10           H        TRP  10  -6.567  -0.763  -2.134
   76    HA   TRP  10           HA       TRP  10  -7.327  -2.520  -4.158
   77    HB2  TRP  10           HB2      TRP  10  -6.070  -0.267  -4.264
   78    HB3  TRP  10           HB1      TRP  10  -4.619  -1.207  -3.956
   79    HD1  TRP  10           HD       TRP  10  -7.210  -0.471  -6.600
   80    HE1  TRP  10           HE1      TRP  10  -6.385  -1.346  -8.871
   81    HE3  TRP  10          3HE       TRP  10  -3.079  -3.021  -5.025
   82    HZ2  TRP  10           HZ2      TRP  10  -4.255  -2.914  -9.866
   83    HZ3  TRP  10           HZ3      TRP  10  -1.701  -4.181  -6.700
   84    HH2  TRP  10           HH       TRP  10  -2.274  -4.127  -9.062
   85    H    CYS  11           H        CYS  11  -4.438  -2.532  -2.094
   86    HA   CYS  11           HA       CYS  11  -3.715  -5.128  -3.033
   87    HB2  CYS  11           HB2      CYS  11  -2.404  -3.163  -1.242
   88    HB3  CYS  11           HB1      CYS  11  -1.898  -4.850  -1.173
   89    H    GLN  12           H        GLN  12  -5.683  -4.013  -0.565
   90    HA   GLN  12           HA       GLN  12  -5.397  -6.103   1.316
   91    HB2  GLN  12           HB2      GLN  12  -6.638  -3.952   1.718
   92    HB3  GLN  12           HB1      GLN  12  -7.891  -4.516   0.623
   93    HG2  GLN  12           HG2      GLN  12  -8.229  -6.458   2.149
   94    HG3  GLN  12           HG1      GLN  12  -7.127  -5.689   3.282
   95   HE21  GLN  12          1HE2      GLN  12  -8.155  -2.966   2.640
   96   HE22  GLN  12          2HE2      GLN  12  -9.703  -2.880   3.366
   97    H    VAL  13           H        VAL  13  -7.190  -5.652  -1.641
   98    HA   VAL  13           HA       VAL  13  -8.512  -8.196  -1.531
   99    HB   VAL  13           HB       VAL  13  -8.117  -6.334  -3.900
  100   HG11  VAL  13          HG11      VAL  13 -10.050  -7.486  -4.883
  101   HG12  VAL  13          HG12      VAL  13 -10.084  -8.586  -3.504
  102   HG13  VAL  13          3HG1      VAL  13  -8.703  -8.590  -4.599
  103   HG21  VAL  13          HG21      VAL  13 -10.444  -6.540  -1.990
  104   HG22  VAL  13          HG22      VAL  13 -10.394  -5.535  -3.438
  105   HG23  VAL  13          HG23      VAL  13  -9.300  -5.203  -2.094
  106    H    MET  14           H        MET  14  -5.659  -6.827  -3.072
  107    HA   MET  14           HA       MET  14  -5.081  -9.084  -4.684
  108    HB2  MET  14           HB2      MET  14  -3.226  -6.883  -3.780
  109    HB3  MET  14           HB1      MET  14  -2.822  -8.107  -4.962
  110    HG2  MET  14           HG2      MET  14  -5.076  -6.141  -5.254
  111    HG3  MET  14           HG1      MET  14  -3.482  -5.970  -5.983
  112    HE1  MET  14           HE1      MET  14  -5.876  -6.828  -9.002
  113    HE2  MET  14           HE2      MET  14  -4.748  -5.645  -8.339
  114    HE3  MET  14          3HE       MET  14  -6.310  -5.907  -7.561
  115    H    LYS  15           H        LYS  15  -3.538  -8.056  -1.582
  116    HA   LYS  15           HA       LYS  15  -2.761 -10.845  -1.202
  117    HB2  LYS  15           HB2      LYS  15  -0.844  -8.517  -0.891
  118    HB3  LYS  15           HB1      LYS  15  -0.501 -10.179  -0.454
  119    HG2  LYS  15           HG2      LYS  15  -1.033  -9.168  -3.247
  120    HG3  LYS  15           HG1      LYS  15   0.546  -9.540  -2.555
  121    HD2  LYS  15           HD2      LYS  15  -0.016 -11.872  -2.374
  122    HD3  LYS  15           HD1      LYS  15  -1.686 -11.554  -2.849
  123    HE2  LYS  15           HE2      LYS  15  -0.479 -12.453  -4.736
  124    HE3  LYS  15           HE1      LYS  15  -0.880 -10.766  -5.038
  125    HZ1  LYS  15           HZ1      LYS  15   1.318 -11.183  -5.729
  126    HZ2  LYS  15           HZ2      LYS  15   1.741 -11.887  -4.271
  127    HZ3  LYS  15           HZ3      LYS  15   1.425 -10.211  -4.347
  128    HA   PRO  16           HA       PRO  16  -4.253  -9.227   2.771
  129    HB2  PRO  16           HB2      PRO  16  -6.012 -11.429   3.035
  130    HB3  PRO  16           HB1      PRO  16  -6.458  -9.779   2.603
  131    HG2  PRO  16           HG2      PRO  16  -6.648 -12.014   0.924
  132    HG3  PRO  16           HG1      PRO  16  -6.708 -10.323   0.409
  133    HD2  PRO  16           HD2      PRO  16  -4.427 -12.247   0.344
  134    HD3  PRO  16           HD1      PRO  16  -4.853 -10.945  -0.792
  135    H    GLN  17           H        GLN  17  -2.892  -9.712   4.319
  136    HA   GLN  17           HA       GLN  17  -1.548 -10.715   5.784
  137    HB2  GLN  17           HB2      GLN  17  -3.257 -13.169   5.304
  138    HB3  GLN  17           HB1      GLN  17  -2.010 -13.068   6.524
  139    HG2  GLN  17           HG2      GLN  17  -4.012 -12.752   7.683
  140    HG3  GLN  17           HG1      GLN  17  -3.355 -11.133   7.501
  141   HE21  GLN  17          1HE2      GLN  17  -4.474  -9.635   6.237
  142   HE22  GLN  17          2HE2      GLN  17  -6.065  -9.955   5.651
  143    H    GLY  18           H        GLY  18   0.321 -10.515   4.704
  144    HA2  GLY  18           HA2      GLY  18   1.405 -13.014   3.700
  145    HA3  GLY  18           HA1      GLY  18   1.341 -11.674   2.562
  146    H    GLY  19           H        GLY  19   3.698 -12.289   2.692
  147    HA2  GLY  19           HA2      GLY  19   4.965 -10.788   4.870
  148    HA3  GLY  19           HA1      GLY  19   5.727 -12.131   4.023
  149    H    GLU  20           H        GLU  20   6.666 -11.812   2.092
  150    HA   GLU  20           HA       GLU  20   7.719  -9.273   1.533
  151    HB2  GLU  20           HB2      GLU  20   7.622 -11.776  -0.117
  152    HB3  GLU  20           HB1      GLU  20   8.464 -10.329  -0.630
  153    HG2  GLU  20           HG2      GLU  20   9.976 -11.948   0.289
  154    HG3  GLU  20           HG1      GLU  20   9.925 -10.484   1.284
  155    H    GLU  21           H        GLU  21   5.181 -11.102   0.064
  156    HA   GLU  21           HA       GLU  21   4.668  -9.316  -2.093
  157    HB2  GLU  21           HB2      GLU  21   2.804 -11.272  -0.774
  158    HB3  GLU  21           HB1      GLU  21   2.537 -10.496  -2.328
  159    HG2  GLU  21           HG2      GLU  21   4.431 -11.589  -3.276
  160    HG3  GLU  21           HG1      GLU  21   4.883 -12.267  -1.712
  161    H    GLN  22           H        GLN  22   3.535  -9.459   1.176
  162    HA   GLN  22           HA       GLN  22   1.545  -7.424   0.856
  163    HB2  GLN  22           HB2      GLN  22   1.410  -9.151   2.624
  164    HB3  GLN  22           HB1      GLN  22   2.861  -8.492   3.358
  165    HG2  GLN  22           HG2      GLN  22   1.688  -6.392   3.769
  166    HG3  GLN  22           HG1      GLN  22   0.225  -7.075   3.058
  167   HE21  GLN  22          1HE2      GLN  22   2.385  -7.141   5.760
  168   HE22  GLN  22          2HE2      GLN  22   1.370  -8.062   6.802
  169    H    ARG  23           H        ARG  23   4.916  -7.631   1.964
  170    HA   ARG  23           HA       ARG  23   5.232  -4.962   2.670
  171    HB2  ARG  23           HB2      ARG  23   6.861  -6.584   3.387
  172    HB3  ARG  23           HB1      ARG  23   7.206  -7.054   1.726
  173    HG2  ARG  23           HG2      ARG  23   8.983  -5.716   2.617
  174    HG3  ARG  23           HG1      ARG  23   8.140  -4.871   1.310
  175    HD2  ARG  23           HD2      ARG  23   6.806  -3.675   3.067
  176    HD3  ARG  23           HD1      ARG  23   7.879  -4.375   4.278
  177    HE   ARG  23           HE       ARG  23   9.644  -3.217   2.738
  178   HH11  ARG  23          HH11      ARG  23   6.574  -1.987   3.957
  179   HH12  ARG  23          HH12      ARG  23   6.954  -0.336   3.780
  180   HH21  ARG  23          HH21      ARG  23  10.248  -0.921   2.557
  181   HH22  ARG  23          HH22      ARG  23   9.105   0.276   2.975
  182    H    ARG  24           H        ARG  24   5.616  -6.689  -0.364
  183    HA   ARG  24           HA       ARG  24   6.618  -4.727  -2.037
  184    HB2  ARG  24           HB2      ARG  24   6.149  -7.140  -2.590
  185    HB3  ARG  24           HB1      ARG  24   4.448  -6.733  -2.687
  186    HG2  ARG  24           HG2      ARG  24   4.984  -5.172  -4.539
  187    HG3  ARG  24           HG1      ARG  24   6.656  -5.741  -4.475
  188    HD2  ARG  24           HD2      ARG  24   4.211  -7.419  -5.036
  189    HD3  ARG  24           HD1      ARG  24   5.429  -6.932  -6.209
  190    HE   ARG  24           HE       ARG  24   6.890  -8.249  -4.392
  191   HH11  ARG  24          HH11      ARG  24   3.916  -9.186  -6.101
  192   HH12  ARG  24          HH12      ARG  24   4.254 -10.852  -6.061
  193   HH21  ARG  24          HH21      ARG  24   7.334 -10.522  -4.318
  194   HH22  ARG  24          HH22      ARG  24   6.243 -11.639  -4.995
  195    H    CYS  25           H        CYS  25   3.241  -5.501  -1.324
  196    HA   CYS  25           HA       CYS  25   2.157  -3.271  -2.628
  197    HB2  CYS  25           HB2      CYS  25   1.123  -5.280  -0.719
  198    HB3  CYS  25           HB1      CYS  25   0.190  -3.804  -0.951
  199    H    GLN  26           H        GLN  26   3.295  -3.679   0.644
  200    HA   GLN  26           HA       GLN  26   2.206  -1.286   1.666
  201    HB2  GLN  26           HB2      GLN  26   3.022  -3.179   3.042
  202    HB3  GLN  26           HB1      GLN  26   4.660  -2.802   2.541
  203    HG2  GLN  26           HG2      GLN  26   4.476  -0.620   3.635
  204    HG3  GLN  26           HG1      GLN  26   2.850  -1.047   4.178
  205   HE21  GLN  26          1HE2      GLN  26   3.431  -0.933   6.346
  206   HE22  GLN  26          2HE2      GLN  26   4.444  -2.109   7.091
  207    H    GLN  27           H        GLN  27   5.410  -2.110   0.380
  208    HA   GLN  27           HA       GLN  27   6.562   0.443   0.567
  209    HB2  GLN  27           HB2      GLN  27   7.901  -1.572   0.217
  210    HB3  GLN  27           HB1      GLN  27   7.136  -1.842  -1.338
  211    HG2  GLN  27           HG2      GLN  27   8.178   0.128  -2.239
  212    HG3  GLN  27           HG1      GLN  27   8.859   0.529  -0.665
  213   HE21  GLN  27          1HE2      GLN  27  10.608  -0.630   0.092
  214   HE22  GLN  27          2HE2      GLN  27  11.554  -1.650  -0.922
  215    H    GLU  28           H        GLU  28   4.885  -1.179  -2.103
  216    HA   GLU  28           HA       GLU  28   4.817   0.797  -4.028
  217    HB2  GLU  28           HB2      GLU  28   2.868  -1.325  -3.218
  218    HB3  GLU  28           HB1      GLU  28   2.441  -0.177  -4.472
  219    HG2  GLU  28           HG2      GLU  28   4.925  -1.854  -4.580
  220    HG3  GLU  28           HG1      GLU  28   3.374  -2.380  -5.241
  221    H    CYS  29           H        CYS  29   2.651   0.321  -1.284
  222    HA   CYS  29           HA       CYS  29   0.955   2.468  -1.968
  223    HB2  CYS  29           HB2      CYS  29   0.328   0.452  -0.573
  224    HB3  CYS  29           HB1      CYS  29   1.202   1.207   0.757
  225    H    GLU  30           H        GLU  30   3.656   2.138   0.330
  226    HA   GLU  30           HA       GLU  30   3.422   4.674   1.481
  227    HB2  GLU  30           HB2      GLU  30   5.852   2.925   1.067
  228    HB3  GLU  30           HB1      GLU  30   5.885   4.413   2.000
  229    HG2  GLU  30           HG2      GLU  30   4.208   3.467   3.535
  230    HG3  GLU  30           HG1      GLU  30   4.231   1.967   2.611
  231    H    GLU  31           H        GLU  31   5.235   3.597  -1.331
  232    HA   GLU  31           HA       GLU  31   6.342   6.107  -2.029
  233    HB2  GLU  31           HB2      GLU  31   7.258   3.958  -2.764
  234    HB3  GLU  31           HB1      GLU  31   5.797   3.628  -3.670
  235    HG2  GLU  31           HG2      GLU  31   6.311   5.342  -5.248
  236    HG3  GLU  31           HG1      GLU  31   7.657   5.917  -4.262
  237    H    ARG  32           H        ARG  32   3.273   4.726  -2.468
  238    HA   ARG  32           HA       ARG  32   2.448   6.454  -4.645
  239    HB2  ARG  32           HB2      ARG  32   1.772   4.072  -4.439
  240    HB3  ARG  32           HB1      ARG  32   0.920   4.479  -2.972
  241    HG2  ARG  32           HG2      ARG  32  -0.754   5.584  -4.105
  242    HG3  ARG  32           HG1      ARG  32   0.216   5.756  -5.580
  243    HD2  ARG  32           HD2      ARG  32  -0.770   3.135  -4.426
  244    HD3  ARG  32           HD1      ARG  32  -1.452   3.954  -5.839
  245    HE   ARG  32           HE       ARG  32   0.965   3.780  -6.691
  246   HH11  ARG  32          HH11      ARG  32  -0.683   1.151  -4.914
  247   HH12  ARG  32          HH12      ARG  32   0.310  -0.058  -5.575
  248   HH21  ARG  32          HH21      ARG  32   2.313   2.135  -7.496
  249   HH22  ARG  32          HH22      ARG  32   2.142   0.505  -7.063
  250    H    LEU  33           H        LEU  33   1.977   6.129  -1.211
  251    HA   LEU  33           HA       LEU  33   0.031   8.205  -0.972
  252    HB2  LEU  33           HB2      LEU  33   0.213   6.395   0.658
  253    HB3  LEU  33           HB1      LEU  33   1.824   6.924   1.086
  254    HG   LEU  33           HG       LEU  33   0.837   9.060   1.913
  255   HD11  LEU  33          HD11      LEU  33  -1.213   9.085   0.640
  256   HD12  LEU  33          HD12      LEU  33  -1.565   9.126   2.369
  257   HD13  LEU  33          HD13      LEU  33  -1.769   7.628   1.463
  258   HD21  LEU  33          HD21      LEU  33  -0.171   6.524   3.194
  259   HD22  LEU  33          HD22      LEU  33  -0.046   8.096   3.984
  260   HD23  LEU  33          HD23      LEU  33   1.412   7.260   3.445
  261    H    ARG  34           H        ARG  34   3.504   7.977  -0.303
  262    HA   ARG  34           HA       ARG  34   3.726  10.710   0.534
  263    HB2  ARG  34           HB2      ARG  34   5.831   8.674  -0.193
  264    HB3  ARG  34           HB1      ARG  34   6.182  10.264   0.475
  265    HG2  ARG  34           HG2      ARG  34   5.025   9.715   2.503
  266    HG3  ARG  34           HG1      ARG  34   4.497   8.181   1.824
  267    HD2  ARG  34           HD2      ARG  34   6.788   7.401   1.721
  268    HD3  ARG  34           HD1      ARG  34   7.370   8.959   2.323
  269    HE   ARG  34           HE       ARG  34   6.012   8.493   4.328
  270   HH11  ARG  34          HH11      ARG  34   7.444   5.799   2.505
  271   HH12  ARG  34          HH12      ARG  34   7.206   4.683   3.778
  272   HH21  ARG  34          HH21      ARG  34   5.793   6.976   6.020
  273   HH22  ARG  34          HH22      ARG  34   6.326   5.363   5.819
  274    H    ASP  35           H        ASP  35   4.588   8.905  -2.279
  275    HA   ASP  35           HA       ASP  35   5.114   9.367  -4.367
  276    HB2  ASP  35           HB2      ASP  35   2.838  10.291  -4.428
  277    HB3  ASP  35           HB1      ASP  35   3.476  11.873  -3.986
  Start of MODEL   12
    1    H    PCA   1           H        PGL   1  -6.163  10.348   6.399
    2    HA   PCA   1           HA       PGL   1  -4.538   8.422   6.192
    3    HB2  PCA   1           HB1      PGL   1  -4.517   7.262   8.154
    4    HB3  PCA   1           HB2      PGL   1  -5.974   6.413   7.563
    5    HG2  PCA   1           HG1      PGL   1  -5.804   8.341   9.705
    6    HG3  PCA   1           HG2      PGL   1  -7.264   7.513   9.064
    7    H    LYS   2           H        LYS   2  -7.591   9.096   5.375
    8    HA   LYS   2           HA       LYS   2  -8.732   6.755   4.402
    9    HB2  LYS   2           HB2      LYS   2  -9.944   8.834   4.806
   10    HB3  LYS   2           HB1      LYS   2  -9.070   9.607   3.497
   11    HG2  LYS   2           HG2      LYS   2 -10.111   8.140   1.904
   12    HG3  LYS   2           HG1      LYS   2 -10.951   7.295   3.211
   13    HD2  LYS   2           HD2      LYS   2 -12.105   9.357   3.822
   14    HD3  LYS   2           HD1      LYS   2 -11.251  10.225   2.548
   15    HE2  LYS   2           HE2      LYS   2 -13.134   7.912   2.107
   16    HE3  LYS   2           HE1      LYS   2 -13.566   9.613   1.955
   17    HZ1  LYS   2           HZ1      LYS   2 -13.074   8.648  -0.180
   18    HZ2  LYS   2           HZ2      LYS   2 -11.522   8.205   0.318
   19    HZ3  LYS   2           HZ3      LYS   2 -11.934   9.823   0.189
   20    H    GLU   3           H        GLU   3  -6.504   9.024   2.891
   21    HA   GLU   3           HA       GLU   3  -6.721   8.084   0.263
   22    HB2  GLU   3           HB2      GLU   3  -5.656  10.226   0.883
   23    HB3  GLU   3           HB1      GLU   3  -4.338   9.341   1.625
   24    HG2  GLU   3           HG2      GLU   3  -3.688  10.167  -0.520
   25    HG3  GLU   3           HG1      GLU   3  -3.758   8.402  -0.521
   26    H    THR   4           H        THR   4  -4.604   7.239   2.809
   27    HA   THR   4           HA       THR   4  -3.230   5.246   1.285
   28    HB   THR   4           HB       THR   4  -3.253   5.443   4.275
   29    HG1  THR   4           HG1      THR   4  -2.636   7.384   2.699
   30   HG21  THR   4          HG21      THR   4  -2.175   3.466   3.296
   31   HG22  THR   4          HG22      THR   4  -0.980   4.524   4.055
   32   HG23  THR   4          HG23      THR   4  -1.168   4.514   2.299
   33    H    GLU   5           H        GLU   5  -6.111   5.316   3.196
   34    HA   GLU   5           HA       GLU   5  -6.316   2.575   3.819
   35    HB2  GLU   5           HB2      GLU   5  -7.608   4.279   4.995
   36    HB3  GLU   5           HB1      GLU   5  -8.451   4.685   3.512
   37    HG2  GLU   5           HG2      GLU   5  -9.536   2.547   3.486
   38    HG3  GLU   5           HG1      GLU   5  -8.603   2.017   4.884
   39    H    ILE   6           H        ILE   6  -7.777   4.489   1.184
   40    HA   ILE   6           HA       ILE   6  -8.847   2.187  -0.105
   41    HB   ILE   6           HB       ILE   6  -8.400   5.013  -1.158
   42   HG12  ILE   6          HG12      ILE   6 -10.897   5.069  -1.275
   43   HG13  ILE   6          HG11      ILE   6 -10.937   3.471  -0.555
   44   HG21  ILE   6          HG21      ILE   6  -8.152   3.488  -3.066
   45   HG22  ILE   6          HG22      ILE   6  -9.629   4.439  -3.192
   46   HG23  ILE   6          HG23      ILE   6  -9.707   2.758  -2.676
   47   HD11  ILE   6          HD11      ILE   6  -9.959   4.373   1.474
   48   HD12  ILE   6          HD12      ILE   6 -11.448   5.228   1.043
   49   HD13  ILE   6          HD13      ILE   6  -9.874   5.967   0.731
   50    H    CYS   7           H        CYS   7  -5.858   3.892  -0.309
   51    HA   CYS   7           HA       CYS   7  -4.691   2.612  -2.498
   52    HB2  CYS   7           HB2      CYS   7  -3.693   4.577  -1.411
   53    HB3  CYS   7           HB1      CYS   7  -3.415   3.632   0.043
   54    H    ARG   8           H        ARG   8  -4.601   1.692   0.986
   55    HA   ARG   8           HA       ARG   8  -3.277  -0.763   0.594
   56    HB2  ARG   8           HB2      ARG   8  -3.480   0.150   2.863
   57    HB3  ARG   8           HB1      ARG   8  -5.235  -0.027   2.795
   58    HG2  ARG   8           HG2      ARG   8  -4.833  -2.500   2.386
   59    HG3  ARG   8           HG1      ARG   8  -3.163  -2.201   2.836
   60    HD2  ARG   8           HD2      ARG   8  -3.836  -1.535   5.048
   61    HD3  ARG   8           HD1      ARG   8  -5.538  -1.618   4.585
   62    HE   ARG   8           HE       ARG   8  -4.289  -4.078   4.071
   63   HH11  ARG   8          HH11      ARG   8  -5.469  -2.159   6.791
   64   HH12  ARG   8          HH12      ARG   8  -5.798  -3.492   7.797
   65   HH21  ARG   8          HH21      ARG   8  -4.700  -5.953   5.485
   66   HH22  ARG   8          HH22      ARG   8  -5.333  -5.699   7.033
   67    H    GLN   9           H        GLN   9  -6.666   0.138   0.603
   68    HA   GLN   9           HA       GLN   9  -7.975  -2.265   0.670
   69    HB2  GLN   9           HB2      GLN   9  -9.117  -0.139   0.744
   70    HB3  GLN   9           HB1      GLN   9  -8.631   0.213  -0.903
   71    HG2  GLN   9           HG2      GLN   9 -10.043  -1.631  -1.694
   72    HG3  GLN   9           HG1      GLN   9 -10.552  -1.931  -0.032
   73   HE21  GLN   9          1HE2      GLN   9 -12.069  -1.105  -2.399
   74   HE22  GLN   9          2HE2      GLN   9 -12.884   0.345  -1.963
   75    H    TRP  10           H        TRP  10  -6.454  -0.739  -2.075
   76    HA   TRP  10           HA       TRP  10  -7.343  -2.361  -4.172
   77    HB2  TRP  10           HB2      TRP  10  -5.986  -0.220  -4.291
   78    HB3  TRP  10           HB1      TRP  10  -4.576  -1.178  -3.867
   79    HD1  TRP  10           HD       TRP  10  -6.889  -0.347  -6.696
   80    HE1  TRP  10           HE1      TRP  10  -5.956  -1.336  -8.890
   81    HE3  TRP  10          3HE       TRP  10  -3.129  -3.207  -4.771
   82    HZ2  TRP  10           HZ2      TRP  10  -3.907  -3.101  -9.686
   83    HZ3  TRP  10           HZ3      TRP  10  -1.730  -4.515  -6.305
   84    HH2  TRP  10           HH       TRP  10  -2.109  -4.465  -8.705
   85    H    CYS  11           H        CYS  11  -4.502  -2.676  -2.101
   86    HA   CYS  11           HA       CYS  11  -3.700  -5.199  -3.192
   87    HB2  CYS  11           HB2      CYS  11  -2.754  -3.556  -0.852
   88    HB3  CYS  11           HB1      CYS  11  -2.028  -5.091  -1.315
   89    H    GLN  12           H        GLN  12  -5.511  -4.061  -0.468
   90    HA   GLN  12           HA       GLN  12  -5.472  -6.301   1.191
   91    HB2  GLN  12           HB2      GLN  12  -6.229  -3.982   1.765
   92    HB3  GLN  12           HB1      GLN  12  -7.691  -4.302   0.849
   93    HG2  GLN  12           HG2      GLN  12  -8.294  -6.076   2.393
   94    HG3  GLN  12           HG1      GLN  12  -6.806  -5.809   3.300
   95   HE21  GLN  12          1HE2      GLN  12  -8.825  -3.305   1.928
   96   HE22  GLN  12          2HE2      GLN  12  -9.297  -2.604   3.431
   97    H    VAL  13           H        VAL  13  -7.738  -5.275  -1.376
   98    HA   VAL  13           HA       VAL  13  -9.301  -7.659  -1.126
   99    HB   VAL  13           HB       VAL  13 -10.304  -5.498  -1.903
  100   HG11  VAL  13          HG11      VAL  13  -8.791  -5.985  -4.452
  101   HG12  VAL  13          HG12      VAL  13  -8.548  -4.657  -3.319
  102   HG13  VAL  13          3HG1      VAL  13 -10.055  -4.777  -4.229
  103   HG21  VAL  13          HG21      VAL  13 -11.487  -7.571  -2.340
  104   HG22  VAL  13          HG22      VAL  13 -10.598  -7.782  -3.847
  105   HG23  VAL  13          HG23      VAL  13 -11.727  -6.440  -3.672
  106    H    MET  14           H        MET  14  -6.591  -6.641  -3.074
  107    HA   MET  14           HA       MET  14  -6.662  -8.603  -5.086
  108    HB2  MET  14           HB2      MET  14  -5.134  -6.680  -5.148
  109    HB3  MET  14           HB1      MET  14  -4.279  -7.321  -3.755
  110    HG2  MET  14           HG2      MET  14  -3.608  -9.278  -5.094
  111    HG3  MET  14           HG1      MET  14  -4.414  -8.573  -6.493
  112    HE1  MET  14           HE1      MET  14  -1.517  -8.175  -3.883
  113    HE2  MET  14           HE2      MET  14  -2.358  -6.634  -3.711
  114    HE3  MET  14          3HE       MET  14  -0.748  -6.684  -4.414
  115    H    LYS  15           H        LYS  15  -4.841  -8.627  -2.008
  116    HA   LYS  15           HA       LYS  15  -5.462 -11.374  -1.639
  117    HB2  LYS  15           HB2      LYS  15  -3.430 -11.480  -3.129
  118    HB3  LYS  15           HB1      LYS  15  -2.532 -10.640  -1.870
  119    HG2  LYS  15           HG2      LYS  15  -2.865 -12.447  -0.330
  120    HG3  LYS  15           HG1      LYS  15  -3.935 -13.272  -1.456
  121    HD2  LYS  15           HD2      LYS  15  -1.880 -14.391  -1.639
  122    HD3  LYS  15           HD1      LYS  15  -1.941 -13.332  -3.042
  123    HE2  LYS  15           HE2      LYS  15   0.250 -13.240  -2.093
  124    HE3  LYS  15           HE1      LYS  15  -0.550 -11.698  -1.792
  125    HZ1  LYS  15           HZ1      LYS  15  -0.463 -13.889   0.203
  126    HZ2  LYS  15           HZ2      LYS  15  -0.832 -12.266   0.518
  127    HZ3  LYS  15           HZ3      LYS  15   0.738 -12.745   0.069
  128    HA   PRO  16           HA       PRO  16  -5.334  -9.164   2.300
  129    HB2  PRO  16           HB2      PRO  16  -6.384 -11.249   3.757
  130    HB3  PRO  16           HB1      PRO  16  -7.363 -10.072   2.881
  131    HG2  PRO  16           HG2      PRO  16  -6.554 -12.831   2.076
  132    HG3  PRO  16           HG1      PRO  16  -8.112 -12.011   1.866
  133    HD2  PRO  16           HD2      PRO  16  -6.353 -12.286  -0.137
  134    HD3  PRO  16           HD1      PRO  16  -7.382 -10.844   0.004
  135    H    GLN  17           H        GLN  17  -3.431  -9.002   3.244
  136    HA   GLN  17           HA       GLN  17  -1.581  -9.394   4.424
  137    HB2  GLN  17           HB2      GLN  17  -2.760 -12.136   4.820
  138    HB3  GLN  17           HB1      GLN  17  -1.244 -11.638   5.542
  139    HG2  GLN  17           HG2      GLN  17  -3.937 -10.385   6.046
  140    HG3  GLN  17           HG1      GLN  17  -3.115 -11.525   7.108
  141   HE21  GLN  17          1HE2      GLN  17  -3.283  -8.271   6.013
  142   HE22  GLN  17          2HE2      GLN  17  -2.141  -7.630   7.134
  143    H    GLY  18           H        GLY  18   0.434 -10.823   4.499
  144    HA2  GLY  18           HA2      GLY  18   1.202 -12.743   2.833
  145    HA3  GLY  18           HA1      GLY  18   1.233 -11.319   1.794
  146    H    GLY  19           H        GLY  19   3.543 -12.639   2.333
  147    HA2  GLY  19           HA2      GLY  19   4.844 -11.228   4.503
  148    HA3  GLY  19           HA1      GLY  19   5.591 -12.419   3.442
  149    H    GLU  20           H        GLU  20   6.290 -11.814   1.422
  150    HA   GLU  20           HA       GLU  20   7.448  -9.238   1.378
  151    HB2  GLU  20           HB2      GLU  20   7.286 -11.310  -0.803
  152    HB3  GLU  20           HB1      GLU  20   8.258  -9.847  -0.878
  153    HG2  GLU  20           HG2      GLU  20   9.440 -10.638   1.175
  154    HG3  GLU  20           HG1      GLU  20   8.579 -12.167   0.996
  155    H    GLU  21           H        GLU  21   4.707 -10.684  -0.208
  156    HA   GLU  21           HA       GLU  21   4.074  -8.768  -2.123
  157    HB2  GLU  21           HB2      GLU  21   1.951 -10.079  -0.429
  158    HB3  GLU  21           HB1      GLU  21   1.810  -9.533  -2.083
  159    HG2  GLU  21           HG2      GLU  21   1.889 -11.835  -2.269
  160    HG3  GLU  21           HG1      GLU  21   3.556 -11.356  -2.593
  161    H    GLN  22           H        GLN  22   3.311  -8.824   1.305
  162    HA   GLN  22           HA       GLN  22   1.696  -6.506   1.152
  163    HB2  GLN  22           HB2      GLN  22   1.310  -8.189   2.876
  164    HB3  GLN  22           HB1      GLN  22   2.895  -7.869   3.558
  165    HG2  GLN  22           HG2      GLN  22   2.240  -5.690   4.242
  166    HG3  GLN  22           HG1      GLN  22   0.716  -5.814   3.367
  167   HE21  GLN  22          1HE2      GLN  22   1.250  -5.315   6.173
  168   HE22  GLN  22          2HE2      GLN  22   0.372  -6.521   7.038
  169    H    ARG  23           H        ARG  23   5.057  -7.119   1.987
  170    HA   ARG  23           HA       ARG  23   5.634  -4.476   2.786
  171    HB2  ARG  23           HB2      ARG  23   7.018  -6.491   3.275
  172    HB3  ARG  23           HB1      ARG  23   7.469  -6.542   1.581
  173    HG2  ARG  23           HG2      ARG  23   8.490  -4.347   1.798
  174    HG3  ARG  23           HG1      ARG  23   8.059  -4.342   3.516
  175    HD2  ARG  23           HD2      ARG  23  10.381  -5.037   3.213
  176    HD3  ARG  23           HD1      ARG  23   9.407  -6.356   3.861
  177    HE   ARG  23           HE       ARG  23  10.054  -6.123   1.001
  178   HH11  ARG  23          HH11      ARG  23   9.795  -8.148   3.926
  179   HH12  ARG  23          HH12      ARG  23  10.394  -9.539   3.170
  180   HH21  ARG  23          HH21      ARG  23  10.834  -8.011  -0.020
  181   HH22  ARG  23          HH22      ARG  23  10.983  -9.481   0.834
  182    H    ARG  24           H        ARG  24   5.588  -6.136  -0.300
  183    HA   ARG  24           HA       ARG  24   6.771  -4.100  -1.872
  184    HB2  ARG  24           HB2      ARG  24   4.812  -6.268  -2.659
  185    HB3  ARG  24           HB1      ARG  24   5.663  -5.240  -3.805
  186    HG2  ARG  24           HG2      ARG  24   7.782  -6.147  -3.099
  187    HG3  ARG  24           HG1      ARG  24   6.991  -7.099  -1.844
  188    HD2  ARG  24           HD2      ARG  24   5.727  -8.286  -3.618
  189    HD3  ARG  24           HD1      ARG  24   6.660  -7.399  -4.825
  190    HE   ARG  24           HE       ARG  24   8.618  -8.488  -3.448
  191   HH11  ARG  24          HH11      ARG  24   5.606 -10.007  -4.574
  192   HH12  ARG  24          HH12      ARG  24   6.277 -11.555  -4.688
  193   HH21  ARG  24          HH21      ARG  24   9.525 -10.641  -3.628
  194   HH22  ARG  24          HH22      ARG  24   8.560 -11.945  -4.136
  195    H    CYS  25           H        CYS  25   3.338  -4.952  -1.407
  196    HA   CYS  25           HA       CYS  25   2.296  -2.708  -2.667
  197    HB2  CYS  25           HB2      CYS  25   1.242  -4.660  -0.722
  198    HB3  CYS  25           HB1      CYS  25   0.358  -3.147  -0.880
  199    H    GLN  26           H        GLN  26   3.359  -3.066   0.689
  200    HA   GLN  26           HA       GLN  26   2.440  -0.642   1.668
  201    HB2  GLN  26           HB2      GLN  26   3.337  -2.334   3.140
  202    HB3  GLN  26           HB1      GLN  26   4.902  -2.252   2.350
  203    HG2  GLN  26           HG2      GLN  26   4.942  -1.152   4.502
  204    HG3  GLN  26           HG1      GLN  26   5.234  -0.013   3.188
  205   HE21  GLN  26          1HE2      GLN  26   4.633   1.742   4.325
  206   HE22  GLN  26          2HE2      GLN  26   3.021   2.088   4.824
  207    H    GLN  27           H        GLN  27   5.572  -1.423   0.174
  208    HA   GLN  27           HA       GLN  27   6.556   1.208   0.272
  209    HB2  GLN  27           HB2      GLN  27   8.049  -0.708  -0.054
  210    HB3  GLN  27           HB1      GLN  27   7.316  -1.012  -1.624
  211    HG2  GLN  27           HG2      GLN  27   8.092   1.141  -2.428
  212    HG3  GLN  27           HG1      GLN  27   8.808   1.479  -0.858
  213   HE21  GLN  27          1HE2      GLN  27   9.937   1.302  -3.482
  214   HE22  GLN  27          2HE2      GLN  27  11.206   0.114  -3.415
  215    H    GLU  28           H        GLU  28   4.951  -0.581  -2.323
  216    HA   GLU  28           HA       GLU  28   4.979   1.378  -4.288
  217    HB2  GLU  28           HB2      GLU  28   2.860  -0.676  -3.676
  218    HB3  GLU  28           HB1      GLU  28   2.863   0.323  -5.120
  219    HG2  GLU  28           HG2      GLU  28   5.003  -1.638  -4.338
  220    HG3  GLU  28           HG1      GLU  28   3.736  -1.904  -5.536
  221    H    CYS  29           H        CYS  29   2.604   0.831  -1.728
  222    HA   CYS  29           HA       CYS  29   0.837   2.857  -2.451
  223    HB2  CYS  29           HB2      CYS  29   0.376   1.018  -0.812
  224    HB3  CYS  29           HB1      CYS  29   1.392   1.861   0.351
  225    H    GLU  30           H        GLU  30   3.660   2.928  -0.276
  226    HA   GLU  30           HA       GLU  30   3.296   5.622   0.482
  227    HB2  GLU  30           HB2      GLU  30   5.752   3.871   0.584
  228    HB3  GLU  30           HB1      GLU  30   5.706   5.507   1.223
  229    HG2  GLU  30           HG2      GLU  30   3.902   4.813   2.762
  230    HG3  GLU  30           HG1      GLU  30   4.051   3.167   2.151
  231    H    GLU  31           H        GLU  31   5.149   4.126  -2.121
  232    HA   GLU  31           HA       GLU  31   6.384   6.591  -2.859
  233    HB2  GLU  31           HB2      GLU  31   6.174   4.025  -4.404
  234    HB3  GLU  31           HB1      GLU  31   7.149   5.407  -4.884
  235    HG2  GLU  31           HG2      GLU  31   8.390   5.167  -2.730
  236    HG3  GLU  31           HG1      GLU  31   7.500   3.668  -2.462
  237    H    ARG  32           H        ARG  32   3.468   4.984  -3.875
  238    HA   ARG  32           HA       ARG  32   3.044   6.666  -6.154
  239    HB2  ARG  32           HB2      ARG  32   1.075   5.025  -4.559
  240    HB3  ARG  32           HB1      ARG  32   0.713   5.812  -6.092
  241    HG2  ARG  32           HG2      ARG  32   2.414   4.464  -7.179
  242    HG3  ARG  32           HG1      ARG  32   2.783   3.736  -5.608
  243    HD2  ARG  32           HD2      ARG  32   0.492   2.842  -5.508
  244    HD3  ARG  32           HD1      ARG  32   0.173   3.510  -7.111
  245    HE   ARG  32           HE       ARG  32   2.316   2.048  -7.595
  246   HH11  ARG  32          HH11      ARG  32  -0.703   1.195  -5.923
  247   HH12  ARG  32          HH12      ARG  32  -0.496  -0.475  -6.169
  248   HH21  ARG  32          HH21      ARG  32   2.523  -0.287  -7.955
  249   HH22  ARG  32          HH22      ARG  32   1.302  -1.315  -7.350
  250    H    LEU  33           H        LEU  33   1.890   6.615  -2.880
  251    HA   LEU  33           HA       LEU  33   0.359   8.988  -2.954
  252    HB2  LEU  33           HB2      LEU  33   0.199   7.396  -1.110
  253    HB3  LEU  33           HB1      LEU  33   1.866   7.695  -0.677
  254    HG   LEU  33           HG       LEU  33   1.267  10.007  -0.046
  255   HD11  LEU  33          HD11      LEU  33  -1.083  10.612   0.195
  256   HD12  LEU  33          HD12      LEU  33  -1.549   9.109  -0.603
  257   HD13  LEU  33          HD13      LEU  33  -0.644  10.336  -1.489
  258   HD21  LEU  33          HD21      LEU  33   1.329   8.248   1.638
  259   HD22  LEU  33          HD22      LEU  33  -0.359   7.858   1.308
  260   HD23  LEU  33          HD23      LEU  33   0.067   9.424   1.999
  261    H    ARG  34           H        ARG  34   3.672   8.326  -1.996
  262    HA   ARG  34           HA       ARG  34   5.451   9.511  -1.605
  263    HB2  ARG  34           HB2      ARG  34   5.432   9.554  -4.046
  264    HB3  ARG  34           HB1      ARG  34   4.510  11.047  -4.022
  265    HG2  ARG  34           HG2      ARG  34   6.345  12.293  -3.266
  266    HG3  ARG  34           HG1      ARG  34   7.229  10.846  -2.774
  267    HD2  ARG  34           HD2      ARG  34   6.509  11.526  -5.626
  268    HD3  ARG  34           HD1      ARG  34   8.084  11.837  -4.890
  269    HE   ARG  34           HE       ARG  34   7.745   9.241  -4.404
  270   HH11  ARG  34          HH11      ARG  34   7.384  11.020  -7.442
  271   HH12  ARG  34          HH12      ARG  34   7.905   9.738  -8.425
  272   HH21  ARG  34          HH21      ARG  34   8.490   7.471  -5.772
  273   HH22  ARG  34          HH22      ARG  34   8.522   7.677  -7.453
  274    H    ASP  35           H        ASP  35   4.781  10.104   0.293
  275    HA   ASP  35           HA       ASP  35   4.424  12.965   0.701
  276    HB2  ASP  35           HB2      ASP  35   2.205  12.055   1.062
  277    HB3  ASP  35           HB1      ASP  35   2.853  10.757   2.058
  Start of MODEL   13
    1    H    PCA   1           H        PGL   1  -6.633  12.044   1.789
    2    HA   PCA   1           HA       PGL   1  -4.756  10.387   1.855
    3    HB2  PCA   1           HB1      PGL   1  -4.242   9.877   4.006
    4    HB3  PCA   1           HB2      PGL   1  -5.631   8.753   3.999
    5    HG2  PCA   1           HG1      PGL   1  -5.396  11.301   5.374
    6    HG3  PCA   1           HG2      PGL   1  -6.780  10.153   5.369
    7    H    LYS   2           H        LYS   2  -7.651  10.455   0.873
    8    HA   LYS   2           HA       LYS   2  -8.647   7.835   1.097
    9    HB2  LYS   2           HB2      LYS   2  -9.323  10.029  -0.849
   10    HB3  LYS   2           HB1      LYS   2 -10.192   8.505  -0.735
   11    HG2  LYS   2           HG2      LYS   2  -9.916  10.539   1.473
   12    HG3  LYS   2           HG1      LYS   2 -11.351  10.276   0.480
   13    HD2  LYS   2           HD2      LYS   2 -11.566   8.009   1.350
   14    HD3  LYS   2           HD1      LYS   2 -10.090   8.201   2.286
   15    HE2  LYS   2           HE2      LYS   2 -11.127  10.000   3.556
   16    HE3  LYS   2           HE1      LYS   2 -12.618   9.778   2.640
   17    HZ1  LYS   2           HZ1      LYS   2 -12.561   8.654   4.832
   18    HZ2  LYS   2           HZ2      LYS   2 -11.367   7.601   4.219
   19    HZ3  LYS   2           HZ3      LYS   2 -12.899   7.642   3.540
   20    H    GLU   3           H        GLU   3  -6.424   9.237  -1.171
   21    HA   GLU   3           HA       GLU   3  -6.570   7.072  -2.994
   22    HB2  GLU   3           HB2      GLU   3  -4.450   7.904  -3.918
   23    HB3  GLU   3           HB1      GLU   3  -5.598   9.209  -3.679
   24    HG2  GLU   3           HG2      GLU   3  -4.433   9.797  -1.582
   25    HG3  GLU   3           HG1      GLU   3  -3.256   8.534  -1.925
   26    H    THR   4           H        THR   4  -4.943   7.602  -0.098
   27    HA   THR   4           HA       THR   4  -3.206   5.329  -0.247
   28    HB   THR   4           HB       THR   4  -4.041   6.906   2.173
   29    HG1  THR   4           HG1      THR   4  -2.886   8.490   1.257
   30   HG21  THR   4          HG21      THR   4  -1.563   5.264   1.605
   31   HG22  THR   4          HG22      THR   4  -2.891   4.788   2.663
   32   HG23  THR   4          HG23      THR   4  -1.873   6.163   3.093
   33    H    GLU   5           H        GLU   5  -6.355   6.116   1.026
   34    HA   GLU   5           HA       GLU   5  -6.844   3.818   2.551
   35    HB2  GLU   5           HB2      GLU   5  -8.201   5.896   2.636
   36    HB3  GLU   5           HB1      GLU   5  -8.835   5.520   1.042
   37    HG2  GLU   5           HG2      GLU   5  -9.843   3.482   1.931
   38    HG3  GLU   5           HG1      GLU   5  -9.219   3.879   3.530
   39    H    ILE   6           H        ILE   6  -7.803   4.562  -0.836
   40    HA   ILE   6           HA       ILE   6  -8.675   1.905  -1.310
   41    HB   ILE   6           HB       ILE   6  -8.348   2.420  -3.776
   42   HG12  ILE   6          HG12      ILE   6  -7.942   5.230  -2.730
   43   HG13  ILE   6          HG11      ILE   6  -6.710   4.246  -3.509
   44   HG21  ILE   6          HG21      ILE   6 -10.349   3.819  -3.881
   45   HG22  ILE   6          HG22      ILE   6 -10.264   4.008  -2.118
   46   HG23  ILE   6          HG23      ILE   6 -10.464   2.404  -2.845
   47   HD11  ILE   6          HD11      ILE   6  -8.024   4.255  -5.570
   48   HD12  ILE   6          HD12      ILE   6  -7.625   5.887  -5.032
   49   HD13  ILE   6          HD13      ILE   6  -9.249   5.248  -4.777
   50    H    CYS   7           H        CYS   7  -5.610   3.459  -1.644
   51    HA   CYS   7           HA       CYS   7  -4.166   1.610  -3.063
   52    HB2  CYS   7           HB2      CYS   7  -3.231   3.731  -2.395
   53    HB3  CYS   7           HB1      CYS   7  -3.376   3.296  -0.701
   54    H    ARG   8           H        ARG   8  -4.805   1.584   0.459
   55    HA   ARG   8           HA       ARG   8  -3.532  -0.962   0.663
   56    HB2  ARG   8           HB2      ARG   8  -3.418   0.486   2.595
   57    HB3  ARG   8           HB1      ARG   8  -5.172   0.541   2.697
   58    HG2  ARG   8           HG2      ARG   8  -4.277  -0.975   4.391
   59    HG3  ARG   8           HG1      ARG   8  -5.222  -1.859   3.196
   60    HD2  ARG   8           HD2      ARG   8  -3.089  -2.460   2.046
   61    HD3  ARG   8           HD1      ARG   8  -2.221  -1.684   3.372
   62    HE   ARG   8           HE       ARG   8  -4.091  -3.866   3.933
   63   HH11  ARG   8          HH11      ARG   8  -0.735  -2.686   3.887
   64   HH12  ARG   8          HH12      ARG   8  -0.141  -3.995   4.804
   65   HH21  ARG   8          HH21      ARG   8  -3.218  -5.668   5.196
   66   HH22  ARG   8          HH22      ARG   8  -1.562  -5.673   5.578
   67    H    GLN   9           H        GLN   9  -6.910   0.148   0.572
   68    HA   GLN   9           HA       GLN   9  -8.112  -2.302   1.177
   69    HB2  GLN   9           HB2      GLN   9  -9.124  -0.103  -0.611
   70    HB3  GLN   9           HB1      GLN   9 -10.082  -1.499  -0.151
   71    HG2  GLN   9           HG2      GLN   9  -9.877  -0.858   2.196
   72    HG3  GLN   9           HG1      GLN   9  -8.936   0.556   1.716
   73   HE21  GLN   9          1HE2      GLN   9  -9.954   2.217   0.664
   74   HE22  GLN   9          2HE2      GLN   9 -11.669   2.408   0.658
   75    H    TRP  10           H        TRP  10  -7.011  -1.076  -1.926
   76    HA   TRP  10           HA       TRP  10  -8.012  -3.061  -3.578
   77    HB2  TRP  10           HB2      TRP  10  -6.779  -0.847  -4.119
   78    HB3  TRP  10           HB1      TRP  10  -5.312  -1.806  -3.974
   79    HD1  TRP  10           HD       TRP  10  -8.223  -1.120  -6.221
   80    HE1  TRP  10           HE1      TRP  10  -7.891  -2.310  -8.471
   81    HE3  TRP  10          3HE       TRP  10  -4.186  -4.011  -5.016
   82    HZ2  TRP  10           HZ2      TRP  10  -6.147  -4.239  -9.593
   83    HZ3  TRP  10           HZ3      TRP  10  -3.249  -5.504  -6.736
   84    HH2  TRP  10           HH       TRP  10  -4.211  -5.612  -8.972
   85    H    CYS  11           H        CYS  11  -4.838  -2.807  -1.999
   86    HA   CYS  11           HA       CYS  11  -3.905  -5.339  -2.776
   87    HB2  CYS  11           HB2      CYS  11  -3.078  -3.486  -0.543
   88    HB3  CYS  11           HB1      CYS  11  -2.239  -4.993  -0.893
   89    H    GLN  12           H        GLN  12  -5.661  -4.257   0.084
   90    HA   GLN  12           HA       GLN  12  -5.452  -6.567   1.628
   91    HB2  GLN  12           HB2      GLN  12  -6.315  -4.467   2.534
   92    HB3  GLN  12           HB1      GLN  12  -7.731  -4.588   1.499
   93    HG2  GLN  12           HG2      GLN  12  -8.394  -6.648   2.670
   94    HG3  GLN  12           HG1      GLN  12  -7.008  -6.479   3.734
   95   HE21  GLN  12          1HE2      GLN  12  -8.998  -3.805   2.623
   96   HE22  GLN  12          2HE2      GLN  12  -9.671  -3.440   4.168
   97    H    VAL  13           H        VAL  13  -7.880  -5.633  -0.773
   98    HA   VAL  13           HA       VAL  13  -9.395  -8.031  -0.402
   99    HB   VAL  13           HB       VAL  13  -9.604  -5.910  -2.558
  100   HG11  VAL  13          HG11      VAL  13 -11.825  -6.842  -3.039
  101   HG12  VAL  13          HG12      VAL  13 -11.531  -8.133  -1.873
  102   HG13  VAL  13          3HG1      VAL  13 -10.554  -8.029  -3.336
  103   HG21  VAL  13          HG21      VAL  13 -10.082  -5.057  -0.330
  104   HG22  VAL  13          HG22      VAL  13 -11.235  -6.365  -0.060
  105   HG23  VAL  13          HG23      VAL  13 -11.560  -5.142  -1.289
  106    H    MET  14           H        MET  14  -7.147  -6.862  -2.863
  107    HA   MET  14           HA       MET  14  -7.563  -9.051  -4.630
  108    HB2  MET  14           HB2      MET  14  -6.716  -6.847  -5.371
  109    HB3  MET  14           HB1      MET  14  -5.223  -7.151  -4.506
  110    HG2  MET  14           HG2      MET  14  -4.901  -7.582  -6.850
  111    HG3  MET  14           HG1      MET  14  -4.801  -9.096  -5.950
  112    HE1  MET  14           HE1      MET  14  -6.388 -10.182  -9.374
  113    HE2  MET  14           HE2      MET  14  -5.087 -10.474  -8.223
  114    HE3  MET  14          3HE       MET  14  -5.158  -8.946  -9.105
  115    H    LYS  15           H        LYS  15  -4.968  -8.316  -2.280
  116    HA   LYS  15           HA       LYS  15  -4.188 -11.097  -2.489
  117    HB2  LYS  15           HB2      LYS  15  -1.787 -10.369  -2.416
  118    HB3  LYS  15           HB1      LYS  15  -2.649 -10.013  -3.902
  119    HG2  LYS  15           HG2      LYS  15  -2.967  -7.671  -3.093
  120    HG3  LYS  15           HG1      LYS  15  -1.956  -8.061  -1.705
  121    HD2  LYS  15           HD2      LYS  15  -0.580  -6.981  -3.342
  122    HD3  LYS  15           HD1      LYS  15  -0.166  -8.701  -3.292
  123    HE2  LYS  15           HE2      LYS  15  -1.537  -9.108  -5.262
  124    HE3  LYS  15           HE1      LYS  15  -1.981  -7.403  -5.320
  125    HZ1  LYS  15           HZ1      LYS  15  -0.262  -7.909  -6.877
  126    HZ2  LYS  15           HZ2      LYS  15   0.734  -8.544  -5.682
  127    HZ3  LYS  15           HZ3      LYS  15   0.365  -6.888  -5.694
  128    HA   PRO  16           HA       PRO  16  -4.649  -9.930   1.895
  129    HB2  PRO  16           HB2      PRO  16  -6.230 -12.286   2.278
  130    HB3  PRO  16           HB1      PRO  16  -6.768 -10.604   2.275
  131    HG2  PRO  16           HG2      PRO  16  -7.475 -12.465   0.362
  132    HG3  PRO  16           HG1      PRO  16  -7.493 -10.711   0.122
  133    HD2  PRO  16           HD2      PRO  16  -5.424 -12.708  -0.685
  134    HD3  PRO  16           HD1      PRO  16  -6.048 -11.297  -1.573
  135    H    GLN  17           H        GLN  17  -2.971 -10.435   3.059
  136    HA   GLN  17           HA       GLN  17  -1.399 -11.474   4.213
  137    HB2  GLN  17           HB2      GLN  17  -3.232 -12.961   4.999
  138    HB3  GLN  17           HB1      GLN  17  -2.863 -14.062   3.679
  139    HG2  GLN  17           HG2      GLN  17  -0.649 -14.455   4.620
  140    HG3  GLN  17           HG1      GLN  17  -0.995 -13.315   5.918
  141   HE21  GLN  17          1HE2      GLN  17  -3.324 -15.620   4.637
  142   HE22  GLN  17          2HE2      GLN  17  -3.404 -16.583   6.056
  143    H    GLY  18           H        GLY  18   0.378 -11.132   3.106
  144    HA2  GLY  18           HA2      GLY  18   1.508 -13.333   1.657
  145    HA3  GLY  18           HA1      GLY  18   1.211 -11.894   0.683
  146    H    GLY  19           H        GLY  19   3.776 -12.681   0.954
  147    HA2  GLY  19           HA2      GLY  19   4.875 -11.183   3.193
  148    HA3  GLY  19           HA1      GLY  19   5.767 -12.282   2.150
  149    H    GLU  20           H        GLU  20   6.457 -11.585   0.151
  150    HA   GLU  20           HA       GLU  20   7.279  -8.898   0.096
  151    HB2  GLU  20           HB2      GLU  20   7.400 -11.030  -2.022
  152    HB3  GLU  20           HB1      GLU  20   8.094  -9.432  -2.230
  153    HG2  GLU  20           HG2      GLU  20   8.860 -11.440  -0.122
  154    HG3  GLU  20           HG1      GLU  20   9.780 -11.053  -1.575
  155    H    GLU  21           H        GLU  21   4.580 -10.541  -1.361
  156    HA   GLU  21           HA       GLU  21   3.857  -8.585  -3.236
  157    HB2  GLU  21           HB2      GLU  21   2.237 -10.624  -1.734
  158    HB3  GLU  21           HB1      GLU  21   1.510  -9.528  -2.893
  159    HG2  GLU  21           HG2      GLU  21   3.715 -11.479  -3.507
  160    HG3  GLU  21           HG1      GLU  21   2.002 -11.731  -3.847
  161    H    GLN  22           H        GLN  22   2.757  -8.986   0.123
  162    HA   GLN  22           HA       GLN  22   1.199  -6.592   0.030
  163    HB2  GLN  22           HB2      GLN  22   0.748  -8.583   1.549
  164    HB3  GLN  22           HB1      GLN  22   2.117  -8.051   2.509
  165    HG2  GLN  22           HG2      GLN  22   0.043  -7.302   3.501
  166    HG3  GLN  22           HG1      GLN  22   0.991  -5.924   2.942
  167   HE21  GLN  22          1HE2      GLN  22  -1.827  -7.850   2.395
  168   HE22  GLN  22          2HE2      GLN  22  -2.623  -6.779   1.311
  169    H    ARG  23           H        ARG  23   4.430  -7.457   1.067
  170    HA   ARG  23           HA       ARG  23   5.163  -5.145   2.461
  171    HB2  ARG  23           HB2      ARG  23   6.425  -7.275   2.377
  172    HB3  ARG  23           HB1      ARG  23   6.820  -6.940   0.700
  173    HG2  ARG  23           HG2      ARG  23   8.025  -4.949   1.396
  174    HG3  ARG  23           HG1      ARG  23   7.655  -5.344   3.081
  175    HD2  ARG  23           HD2      ARG  23   8.795  -7.516   2.783
  176    HD3  ARG  23           HD1      ARG  23   9.227  -7.040   1.146
  177    HE   ARG  23           HE       ARG  23  10.076  -5.228   3.197
  178   HH11  ARG  23          HH11      ARG  23  10.954  -8.106   1.324
  179   HH12  ARG  23          HH12      ARG  23  12.632  -7.895   1.520
  180   HH21  ARG  23          HH21      ARG  23  12.392  -4.989   3.528
  181   HH22  ARG  23          HH22      ARG  23  13.457  -6.112   2.821
  182    H    ARG  24           H        ARG  24   5.319  -6.024  -0.946
  183    HA   ARG  24           HA       ARG  24   6.548  -3.713  -1.926
  184    HB2  ARG  24           HB2      ARG  24   6.252  -5.920  -3.090
  185    HB3  ARG  24           HB1      ARG  24   4.567  -5.508  -3.325
  186    HG2  ARG  24           HG2      ARG  24   5.142  -3.714  -4.787
  187    HG3  ARG  24           HG1      ARG  24   6.858  -3.890  -4.417
  188    HD2  ARG  24           HD2      ARG  24   5.096  -5.918  -5.784
  189    HD3  ARG  24           HD1      ARG  24   6.361  -4.956  -6.544
  190    HE   ARG  24           HE       ARG  24   7.924  -6.138  -4.975
  191   HH11  ARG  24          HH11      ARG  24   5.002  -7.669  -6.178
  192   HH12  ARG  24          HH12      ARG  24   5.464  -9.261  -5.893
  193   HH21  ARG  24          HH21      ARG  24   8.684  -8.359  -4.602
  194   HH22  ARG  24          HH22      ARG  24   7.697  -9.669  -5.042
  195    H    CYS  25           H        CYS  25   3.123  -4.622  -1.545
  196    HA   CYS  25           HA       CYS  25   1.970  -2.261  -2.458
  197    HB2  CYS  25           HB2      CYS  25   1.055  -4.259  -0.404
  198    HB3  CYS  25           HB1      CYS  25   0.131  -2.795  -0.694
  199    H    GLN  26           H        GLN  26   3.081  -3.071   0.809
  200    HA   GLN  26           HA       GLN  26   2.400  -0.727   2.139
  201    HB2  GLN  26           HB2      GLN  26   4.817  -2.488   2.527
  202    HB3  GLN  26           HB1      GLN  26   4.347  -1.212   3.633
  203    HG2  GLN  26           HG2      GLN  26   2.293  -2.387   4.150
  204    HG3  GLN  26           HG1      GLN  26   2.687  -3.627   2.958
  205   HE21  GLN  26          1HE2      GLN  26   2.652  -5.223   4.531
  206   HE22  GLN  26          2HE2      GLN  26   3.919  -5.401   5.683
  207    H    GLN  27           H        GLN  27   5.503  -1.502   0.611
  208    HA   GLN  27           HA       GLN  27   6.655   0.988   1.149
  209    HB2  GLN  27           HB2      GLN  27   8.023  -0.952   0.646
  210    HB3  GLN  27           HB1      GLN  27   7.405  -0.986  -0.999
  211    HG2  GLN  27           HG2      GLN  27   8.472   1.068  -1.532
  212    HG3  GLN  27           HG1      GLN  27   8.917   1.342   0.149
  213   HE21  GLN  27          1HE2      GLN  27  10.583   0.184   1.034
  214   HE22  GLN  27          2HE2      GLN  27  11.752  -0.635   0.067
  215    H    GLU  28           H        GLU  28   5.059  -0.151  -1.808
  216    HA   GLU  28           HA       GLU  28   5.491   2.195  -3.307
  217    HB2  GLU  28           HB2      GLU  28   3.273   0.148  -3.479
  218    HB3  GLU  28           HB1      GLU  28   3.565   1.397  -4.680
  219    HG2  GLU  28           HG2      GLU  28   5.540  -0.740  -3.919
  220    HG3  GLU  28           HG1      GLU  28   4.460  -0.815  -5.308
  221    H    CYS  29           H        CYS  29   2.914   1.207  -1.130
  222    HA   CYS  29           HA       CYS  29   1.154   3.336  -1.641
  223    HB2  CYS  29           HB2      CYS  29   0.851   1.052  -0.352
  224    HB3  CYS  29           HB1      CYS  29   1.288   2.031   1.044
  225    H    GLU  30           H        GLU  30   3.647   2.813   0.825
  226    HA   GLU  30           HA       GLU  30   3.173   5.296   2.086
  227    HB2  GLU  30           HB2      GLU  30   5.405   3.299   2.342
  228    HB3  GLU  30           HB1      GLU  30   5.318   4.766   3.308
  229    HG2  GLU  30           HG2      GLU  30   3.174   4.061   4.218
  230    HG3  GLU  30           HG1      GLU  30   3.213   2.615   3.216
  231    H    GLU  31           H        GLU  31   5.258   4.304  -0.531
  232    HA   GLU  31           HA       GLU  31   6.870   6.647  -0.488
  233    HB2  GLU  31           HB2      GLU  31   7.450   4.487  -1.660
  234    HB3  GLU  31           HB1      GLU  31   6.228   4.876  -2.859
  235    HG2  GLU  31           HG2      GLU  31   8.437   5.437  -3.677
  236    HG3  GLU  31           HG1      GLU  31   7.469   6.896  -3.464
  237    H    ARG  32           H        ARG  32   3.846   5.726  -2.049
  238    HA   ARG  32           HA       ARG  32   3.483   8.147  -3.488
  239    HB2  ARG  32           HB2      ARG  32   2.259   6.097  -4.060
  240    HB3  ARG  32           HB1      ARG  32   1.451   6.126  -2.501
  241    HG2  ARG  32           HG2      ARG  32   0.372   8.253  -3.129
  242    HG3  ARG  32           HG1      ARG  32   1.159   8.154  -4.699
  243    HD2  ARG  32           HD2      ARG  32  -0.020   6.101  -5.203
  244    HD3  ARG  32           HD1      ARG  32  -0.756   6.101  -3.600
  245    HE   ARG  32           HE       ARG  32  -1.466   8.495  -4.599
  246   HH11  ARG  32          HH11      ARG  32  -1.923   5.163  -5.712
  247   HH12  ARG  32          HH12      ARG  32  -3.298   5.493  -6.647
  248   HH21  ARG  32          HH21      ARG  32  -3.313   8.997  -5.933
  249   HH22  ARG  32          HH22      ARG  32  -4.134   7.768  -6.764
  250    H    LEU  33           H        LEU  33   2.590   7.023  -0.307
  251    HA   LEU  33           HA       LEU  33   0.915   9.057   0.583
  252    HB2  LEU  33           HB2      LEU  33   1.294   6.920   1.741
  253    HB3  LEU  33           HB1      LEU  33   2.916   7.434   2.142
  254    HG   LEU  33           HG       LEU  33   1.975   9.223   3.567
  255   HD11  LEU  33          HD11      LEU  33  -0.662   7.917   2.923
  256   HD12  LEU  33          HD12      LEU  33  -0.156   9.537   2.444
  257   HD13  LEU  33          HD13      LEU  33  -0.398   9.157   4.149
  258   HD21  LEU  33          HD21      LEU  33   0.986   6.446   4.190
  259   HD22  LEU  33          HD22      LEU  33   1.223   7.750   5.354
  260   HD23  LEU  33          HD23      LEU  33   2.607   7.062   4.506
  261    H    ARG  34           H        ARG  34   4.408   8.804   0.607
  262    HA   ARG  34           HA       ARG  34   6.095  10.250   0.904
  263    HB2  ARG  34           HB2      ARG  34   3.999  12.267   0.080
  264    HB3  ARG  34           HB1      ARG  34   5.709  12.644   0.249
  265    HG2  ARG  34           HG2      ARG  34   6.284  11.178  -1.534
  266    HG3  ARG  34           HG1      ARG  34   4.648  10.523  -1.593
  267    HD2  ARG  34           HD2      ARG  34   5.364  13.388  -2.147
  268    HD3  ARG  34           HD1      ARG  34   5.146  12.161  -3.397
  269    HE   ARG  34           HE       ARG  34   2.863  12.110  -1.861
  270   HH11  ARG  34          HH11      ARG  34   4.514  14.490  -3.896
  271   HH12  ARG  34          HH12      ARG  34   3.089  15.318  -4.317
  272   HH21  ARG  34          HH21      ARG  34   0.913  13.252  -2.432
  273   HH22  ARG  34          HH22      ARG  34   0.977  14.592  -3.481
  274    H    ASP  35           H        ASP  35   5.962   9.596   3.096
  275    HA   ASP  35           HA       ASP  35   5.551  11.832   4.878
  276    HB2  ASP  35           HB2      ASP  35   3.401  10.681   4.964
  277    HB3  ASP  35           HB1      ASP  35   4.200   9.149   5.267
  Start of MODEL   14
    1    H    PCA   1           H        PGL   1  -8.615   9.314   6.715
    2    HA   PCA   1           HA       PGL   1  -7.316  10.520   4.892
    3    HB2  PCA   1           HB1      PGL   1  -5.056  10.317   5.087
    4    HB3  PCA   1           HB2      PGL   1  -5.186   8.553   4.843
    5    HG2  PCA   1           HG1      PGL   1  -4.788  10.026   7.341
    6    HG3  PCA   1           HG2      PGL   1  -4.763   8.252   7.054
    7    H    LYS   2           H        LYS   2  -8.754   9.921   3.458
    8    HA   LYS   2           HA       LYS   2  -9.641   7.320   2.991
    9    HB2  LYS   2           HB2      LYS   2  -9.928   9.826   1.380
   10    HB3  LYS   2           HB1      LYS   2 -10.660   8.301   0.913
   11    HG2  LYS   2           HG2      LYS   2 -11.906   8.274   3.018
   12    HG3  LYS   2           HG1      LYS   2 -11.189   9.829   3.448
   13    HD2  LYS   2           HD2      LYS   2 -12.213  10.877   1.535
   14    HD3  LYS   2           HD1      LYS   2 -12.830   9.319   0.979
   15    HE2  LYS   2           HE2      LYS   2 -14.172   9.146   3.028
   16    HE3  LYS   2           HE1      LYS   2 -13.582  10.727   3.535
   17    HZ1  LYS   2           HZ1      LYS   2 -15.776  10.810   2.488
   18    HZ2  LYS   2           HZ2      LYS   2 -15.129  10.228   1.047
   19    HZ3  LYS   2           HZ3      LYS   2 -14.651  11.723   1.641
   20    H    GLU   3           H        GLU   3  -7.206   9.219   1.265
   21    HA   GLU   3           HA       GLU   3  -7.061   7.395  -0.864
   22    HB2  GLU   3           HB2      GLU   3  -6.278   9.780  -0.931
   23    HB3  GLU   3           HB1      GLU   3  -4.901   9.299   0.044
   24    HG2  GLU   3           HG2      GLU   3  -4.295   9.464  -2.269
   25    HG3  GLU   3           HG1      GLU   3  -4.185   7.791  -1.700
   26    H    THR   4           H        THR   4  -5.601   7.550   2.184
   27    HA   THR   4           HA       THR   4  -3.643   5.520   1.810
   28    HB   THR   4           HB       THR   4  -5.031   6.299   4.353
   29    HG1  THR   4           HG1      THR   4  -2.646   7.429   4.188
   30   HG21  THR   4          HG21      THR   4  -2.948   5.551   5.437
   31   HG22  THR   4          HG22      THR   4  -2.299   5.108   3.858
   32   HG23  THR   4          HG23      THR   4  -3.693   4.246   4.510
   33    H    GLU   5           H        GLU   5  -7.024   5.556   2.793
   34    HA   GLU   5           HA       GLU   5  -7.272   2.837   3.526
   35    HB2  GLU   5           HB2      GLU   5  -9.363   4.740   2.452
   36    HB3  GLU   5           HB1      GLU   5  -9.698   3.181   3.188
   37    HG2  GLU   5           HG2      GLU   5  -8.378   5.505   4.559
   38    HG3  GLU   5           HG1      GLU   5 -10.073   5.056   4.713
   39    H    ILE   6           H        ILE   6  -8.008   4.556   0.532
   40    HA   ILE   6           HA       ILE   6  -8.806   2.350  -1.018
   41    HB   ILE   6           HB       ILE   6  -7.392   4.842  -2.004
   42   HG12  ILE   6          HG12      ILE   6 -10.367   4.401  -1.735
   43   HG13  ILE   6          HG11      ILE   6  -9.406   5.266  -0.540
   44   HG21  ILE   6          HG21      ILE   6  -9.294   2.936  -3.382
   45   HG22  ILE   6          HG22      ILE   6  -7.563   3.071  -3.685
   46   HG23  ILE   6          HG23      ILE   6  -8.638   4.411  -4.089
   47   HD11  ILE   6          HD11      ILE   6  -8.728   6.832  -2.238
   48   HD12  ILE   6          HD12      ILE   6 -10.488   6.821  -2.025
   49   HD13  ILE   6          HD13      ILE   6  -9.745   6.017  -3.423
   50    H    CYS   7           H        CYS   7  -5.694   4.010  -0.811
   51    HA   CYS   7           HA       CYS   7  -4.117   2.501  -2.486
   52    HB2  CYS   7           HB2      CYS   7  -3.405   4.578  -1.251
   53    HB3  CYS   7           HB1      CYS   7  -3.206   3.594   0.187
   54    H    ARG   8           H        ARG   8  -4.825   1.788   0.946
   55    HA   ARG   8           HA       ARG   8  -3.318  -0.627   0.897
   56    HB2  ARG   8           HB2      ARG   8  -3.561   0.445   3.027
   57    HB3  ARG   8           HB1      ARG   8  -5.311   0.468   2.879
   58    HG2  ARG   8           HG2      ARG   8  -4.622  -1.228   4.477
   59    HG3  ARG   8           HG1      ARG   8  -5.365  -1.975   3.070
   60    HD2  ARG   8           HD2      ARG   8  -3.075  -2.449   2.193
   61    HD3  ARG   8           HD1      ARG   8  -2.414  -1.822   3.708
   62    HE   ARG   8           HE       ARG   8  -4.395  -3.877   4.014
   63   HH11  ARG   8          HH11      ARG   8  -0.905  -3.304   3.675
   64   HH12  ARG   8          HH12      ARG   8  -0.432  -4.739   4.429
   65   HH21  ARG   8          HH21      ARG   8  -3.747  -5.892   5.060
   66   HH22  ARG   8          HH22      ARG   8  -2.100  -6.251   5.211
   67    H    GLN   9           H        GLN   9  -6.797   0.123   0.764
   68    HA   GLN   9           HA       GLN   9  -7.790  -2.456   0.848
   69    HB2  GLN   9           HB2      GLN   9  -9.210  -0.486   1.079
   70    HB3  GLN   9           HB1      GLN   9  -8.937  -0.069  -0.603
   71    HG2  GLN   9           HG2      GLN   9 -10.141  -2.016  -1.338
   72    HG3  GLN   9           HG1      GLN   9 -10.301  -2.592   0.318
   73   HE21  GLN   9          1HE2      GLN   9 -11.770  -1.626   1.658
   74   HE22  GLN   9          2HE2      GLN   9 -13.014  -0.576   1.120
   75    H    TRP  10           H        TRP  10  -6.667  -0.617  -1.909
   76    HA   TRP  10           HA       TRP  10  -7.459  -2.257  -3.999
   77    HB2  TRP  10           HB2      TRP  10  -6.407   0.013  -4.168
   78    HB3  TRP  10           HB1      TRP  10  -4.859  -0.732  -3.792
   79    HD1  TRP  10           HD       TRP  10  -7.489  -0.541  -6.558
   80    HE1  TRP  10           HE1      TRP  10  -6.420  -1.273  -8.762
   81    HE3  TRP  10          3HE       TRP  10  -3.018  -2.112  -4.759
   82    HZ2  TRP  10           HZ2      TRP  10  -3.976  -2.374  -9.631
   83    HZ3  TRP  10           HZ3      TRP  10  -1.346  -2.997  -6.339
   84    HH2  TRP  10           HH       TRP  10  -1.822  -3.124  -8.724
   85    H    CYS  11           H        CYS  11  -4.389  -2.357  -2.209
   86    HA   CYS  11           HA       CYS  11  -3.618  -4.814  -3.460
   87    HB2  CYS  11           HB2      CYS  11  -2.417  -3.000  -1.462
   88    HB3  CYS  11           HB1      CYS  11  -1.889  -4.679  -1.436
   89    H    GLN  12           H        GLN  12  -5.167  -3.938  -0.489
   90    HA   GLN  12           HA       GLN  12  -4.886  -6.223   1.042
   91    HB2  GLN  12           HB2      GLN  12  -5.902  -4.168   1.878
   92    HB3  GLN  12           HB1      GLN  12  -7.257  -4.388   0.779
   93    HG2  GLN  12           HG2      GLN  12  -7.861  -6.448   1.963
   94    HG3  GLN  12           HG1      GLN  12  -6.548  -6.160   3.100
   95   HE21  GLN  12          1HE2      GLN  12  -9.436  -6.346   3.499
   96   HE22  GLN  12          2HE2      GLN  12  -9.895  -4.914   4.317
   97    H    VAL  13           H        VAL  13  -7.326  -5.409  -1.396
   98    HA   VAL  13           HA       VAL  13  -8.607  -7.976  -1.103
   99    HB   VAL  13           HB       VAL  13  -9.225  -5.686  -2.984
  100   HG11  VAL  13          HG11      VAL  13 -10.109  -7.792  -3.838
  101   HG12  VAL  13          HG12      VAL  13 -11.419  -6.755  -3.269
  102   HG13  VAL  13          3HG1      VAL  13 -10.874  -8.110  -2.281
  103   HG21  VAL  13          HG21      VAL  13 -11.061  -5.180  -1.439
  104   HG22  VAL  13          HG22      VAL  13  -9.486  -5.048  -0.655
  105   HG23  VAL  13          HG23      VAL  13 -10.499  -6.462  -0.365
  106    H    MET  14           H        MET  14  -6.598  -6.306  -3.489
  107    HA   MET  14           HA       MET  14  -6.915  -8.129  -5.596
  108    HB2  MET  14           HB2      MET  14  -5.952  -5.878  -5.880
  109    HB3  MET  14           HB1      MET  14  -4.519  -6.389  -5.007
  110    HG2  MET  14           HG2      MET  14  -4.130  -6.363  -7.403
  111    HG3  MET  14           HG1      MET  14  -4.005  -8.001  -6.759
  112    HE1  MET  14           HE1      MET  14  -5.462  -8.540 -10.369
  113    HE2  MET  14           HE2      MET  14  -4.147  -8.928  -9.257
  114    HE3  MET  14          3HE       MET  14  -4.319  -7.290  -9.882
  115    H    LYS  15           H        LYS  15  -4.596  -8.082  -2.926
  116    HA   LYS  15           HA       LYS  15  -3.921 -10.805  -3.650
  117    HB2  LYS  15           HB2      LYS  15  -1.999  -8.675  -2.696
  118    HB3  LYS  15           HB1      LYS  15  -1.623 -10.389  -2.705
  119    HG2  LYS  15           HG2      LYS  15  -2.037 -10.365  -5.187
  120    HG3  LYS  15           HG1      LYS  15  -2.136  -8.606  -5.080
  121    HD2  LYS  15           HD2      LYS  15   0.123  -8.526  -4.156
  122    HD3  LYS  15           HD1      LYS  15   0.216 -10.284  -4.204
  123    HE2  LYS  15           HE2      LYS  15   1.407  -9.479  -6.083
  124    HE3  LYS  15           HE1      LYS  15  -0.112 -10.133  -6.691
  125    HZ1  LYS  15           HZ1      LYS  15  -0.955  -7.805  -6.766
  126    HZ2  LYS  15           HZ2      LYS  15   0.394  -8.060  -7.748
  127    HZ3  LYS  15           HZ3      LYS  15   0.572  -7.292  -6.266
  128    HA   PRO  16           HA       PRO  16  -5.729 -11.318   0.437
  129    HB2  PRO  16           HB2      PRO  16  -4.698 -14.061  -0.052
  130    HB3  PRO  16           HB1      PRO  16  -6.307 -13.532   0.455
  131    HG2  PRO  16           HG2      PRO  16  -5.860 -14.376  -2.036
  132    HG3  PRO  16           HG1      PRO  16  -6.978 -13.043  -1.703
  133    HD2  PRO  16           HD2      PRO  16  -4.194 -12.965  -2.776
  134    HD3  PRO  16           HD1      PRO  16  -5.598 -11.943  -3.177
  135    H    GLN  17           H        GLN  17  -4.895 -12.036   2.459
  136    HA   GLN  17           HA       GLN  17  -2.344 -10.897   2.878
  137    HB2  GLN  17           HB2      GLN  17  -3.824 -12.556   4.907
  138    HB3  GLN  17           HB1      GLN  17  -2.683 -11.251   5.207
  139    HG2  GLN  17           HG2      GLN  17  -5.447 -11.000   4.045
  140    HG3  GLN  17           HG1      GLN  17  -4.923 -10.481   5.636
  141   HE21  GLN  17          1HE2      GLN  17  -6.095  -9.139   3.284
  142   HE22  GLN  17          2HE2      GLN  17  -5.069  -7.783   2.979
  143    H    GLY  18           H        GLY  18  -0.508 -11.777   2.398
  144    HA2  GLY  18           HA2      GLY  18  -0.047 -14.586   3.096
  145    HA3  GLY  18           HA1      GLY  18   0.532 -13.881   1.586
  146    H    GLY  19           H        GLY  19   2.201 -12.489   1.595
  147    HA2  GLY  19           HA2      GLY  19   3.308 -11.517   4.070
  148    HA3  GLY  19           HA1      GLY  19   4.260 -12.799   3.343
  149    H    GLU  20           H        GLU  20   5.035 -12.472   1.180
  150    HA   GLU  20           HA       GLU  20   6.487 -10.100   0.940
  151    HB2  GLU  20           HB2      GLU  20   5.844 -12.131  -1.198
  152    HB3  GLU  20           HB1      GLU  20   7.000 -10.829  -1.394
  153    HG2  GLU  20           HG2      GLU  20   8.229 -12.784  -0.946
  154    HG3  GLU  20           HG1      GLU  20   8.262 -11.804   0.521
  155    H    GLU  21           H        GLU  21   3.602 -11.157  -0.578
  156    HA   GLU  21           HA       GLU  21   3.027  -9.220  -2.448
  157    HB2  GLU  21           HB2      GLU  21   0.960 -10.318  -0.532
  158    HB3  GLU  21           HB1      GLU  21   0.667  -9.672  -2.131
  159    HG2  GLU  21           HG2      GLU  21   0.476 -11.969  -2.410
  160    HG3  GLU  21           HG1      GLU  21   2.114 -11.631  -2.959
  161    H    GLN  22           H        GLN  22   2.072  -9.155   0.964
  162    HA   GLN  22           HA       GLN  22   1.045  -6.543   0.848
  163    HB2  GLN  22           HB2      GLN  22   1.724  -8.341   3.162
  164    HB3  GLN  22           HB1      GLN  22   1.140  -6.701   3.393
  165    HG2  GLN  22           HG2      GLN  22  -0.701  -8.211   3.609
  166    HG3  GLN  22           HG1      GLN  22  -0.900  -7.282   2.132
  167   HE21  GLN  22          1HE2      GLN  22  -2.236  -8.757   1.181
  168   HE22  GLN  22          2HE2      GLN  22  -1.727 -10.297   0.644
  169    H    ARG  23           H        ARG  23   4.178  -7.836   1.801
  170    HA   ARG  23           HA       ARG  23   5.252  -5.475   2.811
  171    HB2  ARG  23           HB2      ARG  23   6.343  -7.595   3.168
  172    HB3  ARG  23           HB1      ARG  23   6.519  -7.850   1.442
  173    HG2  ARG  23           HG2      ARG  23   8.628  -7.258   2.407
  174    HG3  ARG  23           HG1      ARG  23   8.042  -5.984   1.328
  175    HD2  ARG  23           HD2      ARG  23   7.284  -4.685   3.261
  176    HD3  ARG  23           HD1      ARG  23   7.878  -5.947   4.342
  177    HE   ARG  23           HE       ARG  23  10.090  -5.362   3.009
  178   HH11  ARG  23          HH11      ARG  23   7.718  -3.146   4.452
  179   HH12  ARG  23          HH12      ARG  23   8.856  -1.947   4.812
  180   HH21  ARG  23          HH21      ARG  23  11.630  -3.707   3.499
  181   HH22  ARG  23          HH22      ARG  23  11.142  -2.254   4.254
  182    H    ARG  24           H        ARG  24   5.292  -6.806  -0.477
  183    HA   ARG  24           HA       ARG  24   6.696  -4.684  -1.698
  184    HB2  ARG  24           HB2      ARG  24   4.654  -6.557  -2.894
  185    HB3  ARG  24           HB1      ARG  24   5.685  -5.483  -3.821
  186    HG2  ARG  24           HG2      ARG  24   7.658  -6.687  -2.976
  187    HG3  ARG  24           HG1      ARG  24   6.585  -7.788  -2.106
  188    HD2  ARG  24           HD2      ARG  24   7.300  -8.738  -4.246
  189    HD3  ARG  24           HD1      ARG  24   5.556  -8.460  -4.210
  190    HE   ARG  24           HE       ARG  24   7.142  -6.325  -5.287
  191   HH11  ARG  24          HH11      ARG  24   5.324  -9.261  -6.099
  192   HH12  ARG  24          HH12      ARG  24   5.024  -8.786  -7.711
  193   HH21  ARG  24          HH21      ARG  24   6.701  -5.686  -7.487
  194   HH22  ARG  24          HH22      ARG  24   5.817  -6.729  -8.508
  195    H    CYS  25           H        CYS  25   3.246  -5.319  -1.351
  196    HA   CYS  25           HA       CYS  25   2.366  -3.014  -2.643
  197    HB2  CYS  25           HB2      CYS  25   1.094  -4.952  -0.791
  198    HB3  CYS  25           HB1      CYS  25   0.269  -3.433  -1.131
  199    H    GLN  26           H        GLN  26   3.358  -3.470   0.682
  200    HA   GLN  26           HA       GLN  26   2.350  -1.027   1.642
  201    HB2  GLN  26           HB2      GLN  26   3.154  -3.017   3.007
  202    HB3  GLN  26           HB1      GLN  26   4.793  -2.557   2.600
  203    HG2  GLN  26           HG2      GLN  26   2.916  -0.712   4.042
  204    HG3  GLN  26           HG1      GLN  26   3.902  -1.898   4.886
  205   HE21  GLN  26          1HE2      GLN  26   3.864   1.022   4.978
  206   HE22  GLN  26          2HE2      GLN  26   5.479   1.509   4.616
  207    H    GLN  27           H        GLN  27   5.400  -2.013   0.215
  208    HA   GLN  27           HA       GLN  27   6.730   0.468   0.371
  209    HB2  GLN  27           HB2      GLN  27   7.114  -1.812  -1.573
  210    HB3  GLN  27           HB1      GLN  27   8.249  -0.488  -1.354
  211    HG2  GLN  27           HG2      GLN  27   8.574  -1.173   0.975
  212    HG3  GLN  27           HG1      GLN  27   7.459  -2.512   0.730
  213   HE21  GLN  27          1HE2      GLN  27   8.580  -2.963  -2.028
  214   HE22  GLN  27          2HE2      GLN  27  10.069  -3.767  -1.742
  215    H    GLU  28           H        GLU  28   4.930  -1.082  -2.271
  216    HA   GLU  28           HA       GLU  28   5.106   1.003  -4.128
  217    HB2  GLU  28           HB2      GLU  28   2.882  -1.004  -3.748
  218    HB3  GLU  28           HB1      GLU  28   3.014   0.073  -5.126
  219    HG2  GLU  28           HG2      GLU  28   4.940  -2.106  -4.354
  220    HG3  GLU  28           HG1      GLU  28   3.796  -2.134  -5.695
  221    H    CYS  29           H        CYS  29   2.718   0.400  -1.594
  222    HA   CYS  29           HA       CYS  29   0.957   2.446  -2.254
  223    HB2  CYS  29           HB2      CYS  29   0.417   0.616  -0.660
  224    HB3  CYS  29           HB1      CYS  29   1.504   1.348   0.513
  225    H    GLU  30           H        GLU  30   3.533   2.488   0.248
  226    HA   GLU  30           HA       GLU  30   3.194   5.162   0.975
  227    HB2  GLU  30           HB2      GLU  30   5.599   3.367   1.094
  228    HB3  GLU  30           HB1      GLU  30   5.599   4.999   1.744
  229    HG2  GLU  30           HG2      GLU  30   3.730   2.803   2.586
  230    HG3  GLU  30           HG1      GLU  30   5.189   3.287   3.448
  231    H    GLU  31           H        GLU  31   5.164   3.738  -1.538
  232    HA   GLU  31           HA       GLU  31   6.716   5.945  -2.249
  233    HB2  GLU  31           HB2      GLU  31   6.914   3.500  -2.959
  234    HB3  GLU  31           HB1      GLU  31   5.677   3.855  -4.151
  235    HG2  GLU  31           HG2      GLU  31   7.768   3.981  -5.242
  236    HG3  GLU  31           HG1      GLU  31   7.186   5.637  -5.047
  237    H    ARG  32           H        ARG  32   3.530   4.885  -3.354
  238    HA   ARG  32           HA       ARG  32   3.334   7.066  -5.285
  239    HB2  ARG  32           HB2      ARG  32   1.306   4.950  -4.607
  240    HB3  ARG  32           HB1      ARG  32   1.313   5.988  -6.029
  241    HG2  ARG  32           HG2      ARG  32   3.398   4.948  -6.764
  242    HG3  ARG  32           HG1      ARG  32   3.363   3.945  -5.310
  243    HD2  ARG  32           HD2      ARG  32   1.178   3.030  -6.075
  244    HD3  ARG  32           HD1      ARG  32   1.392   3.912  -7.590
  245    HE   ARG  32           HE       ARG  32   3.448   2.042  -6.713
  246   HH11  ARG  32          HH11      ARG  32   0.954   2.892  -9.103
  247   HH12  ARG  32          HH12      ARG  32   1.354   1.623 -10.147
  248   HH21  ARG  32          HH21      ARG  32   3.951   0.282  -8.143
  249   HH22  ARG  32          HH22      ARG  32   3.106   0.103  -9.619
  250    H    LEU  33           H        LEU  33   2.109   6.174  -2.209
  251    HA   LEU  33           HA       LEU  33  -0.052   8.028  -2.086
  252    HB2  LEU  33           HB2      LEU  33   0.101   6.024  -0.653
  253    HB3  LEU  33           HB1      LEU  33   1.488   6.715   0.155
  254    HG   LEU  33           HG       LEU  33   0.030   8.544   1.001
  255   HD11  LEU  33          HD11      LEU  33  -2.179   6.881  -0.196
  256   HD12  LEU  33          HD12      LEU  33  -1.698   8.504  -0.697
  257   HD13  LEU  33          HD13      LEU  33  -2.398   8.244   0.899
  258   HD21  LEU  33          HD21      LEU  33  -0.829   5.735   1.685
  259   HD22  LEU  33          HD22      LEU  33  -1.113   7.166   2.674
  260   HD23  LEU  33          HD23      LEU  33   0.535   6.608   2.384
  261    H    ARG  34           H        ARG  34   3.346   8.141  -1.197
  262    HA   ARG  34           HA       ARG  34   2.992  10.804  -0.098
  263    HB2  ARG  34           HB2      ARG  34   4.586   8.819   0.718
  264    HB3  ARG  34           HB1      ARG  34   5.676   9.575  -0.436
  265    HG2  ARG  34           HG2      ARG  34   6.138  10.462   1.725
  266    HG3  ARG  34           HG1      ARG  34   5.343  11.730   0.778
  267    HD2  ARG  34           HD2      ARG  34   4.456  11.557   3.082
  268    HD3  ARG  34           HD1      ARG  34   3.217  11.252   1.866
  269    HE   ARG  34           HE       ARG  34   4.642   8.979   2.973
  270   HH11  ARG  34          HH11      ARG  34   1.667  10.875   2.966
  271   HH12  ARG  34          HH12      ARG  34   0.706   9.672   3.651
  272   HH21  ARG  34          HH21      ARG  34   3.306   7.226   3.906
  273   HH22  ARG  34          HH22      ARG  34   1.679   7.543   4.209
  274    H    ASP  35           H        ASP  35   2.372  11.744  -2.057
  275    HA   ASP  35           HA       ASP  35   4.633  12.376  -3.778
  276    HB2  ASP  35           HB2      ASP  35   3.455  10.545  -4.912
  277    HB3  ASP  35           HB1      ASP  35   1.948  11.445  -4.820
  Start of MODEL   15
    1    H    PCA   1           H        PGL   1  -6.198  11.535   3.392
    2    HA   PCA   1           HA       PGL   1  -4.955   9.449   4.045
    3    HB2  PCA   1           HB1      PGL   1  -5.470   8.850   6.166
    4    HB3  PCA   1           HB2      PGL   1  -7.009   8.177   5.554
    5    HG2  PCA   1           HG1      PGL   1  -6.561  10.650   7.065
    6    HG3  PCA   1           HG2      PGL   1  -8.113   9.873   6.596
    7    H    LYS   2           H        LYS   2  -7.484  10.316   2.379
    8    HA   LYS   2           HA       LYS   2  -9.008   8.020   1.865
    9    HB2  LYS   2           HB2      LYS   2  -8.469  10.380   0.074
   10    HB3  LYS   2           HB1      LYS   2  -9.739   9.193  -0.147
   11    HG2  LYS   2           HG2      LYS   2  -9.486  11.106   2.167
   12    HG3  LYS   2           HG1      LYS   2 -10.598  11.254   0.808
   13    HD2  LYS   2           HD2      LYS   2 -10.591   9.023   2.857
   14    HD3  LYS   2           HD1      LYS   2 -11.718  10.371   2.809
   15    HE2  LYS   2           HE2      LYS   2 -11.421   8.231   0.690
   16    HE3  LYS   2           HE1      LYS   2 -12.721   8.352   1.867
   17    HZ1  LYS   2           HZ1      LYS   2 -13.333  10.492   0.878
   18    HZ2  LYS   2           HZ2      LYS   2 -13.436   9.225  -0.207
   19    HZ3  LYS   2           HZ3      LYS   2 -12.150  10.292  -0.314
   20    H    GLU   3           H        GLU   3  -6.201   9.375   0.234
   21    HA   GLU   3           HA       GLU   3  -6.217   7.427  -1.806
   22    HB2  GLU   3           HB2      GLU   3  -3.928   9.167  -0.890
   23    HB3  GLU   3           HB1      GLU   3  -3.963   8.227  -2.375
   24    HG2  GLU   3           HG2      GLU   3  -5.860   9.532  -3.169
   25    HG3  GLU   3           HG1      GLU   3  -5.830  10.480  -1.683
   26    H    THR   4           H        THR   4  -4.867   7.550   1.286
   27    HA   THR   4           HA       THR   4  -3.137   5.293   1.075
   28    HB   THR   4           HB       THR   4  -4.433   6.399   3.548
   29    HG1  THR   4           HG1      THR   4  -2.181   7.484   3.541
   30   HG21  THR   4          HG21      THR   4  -1.812   4.946   3.133
   31   HG22  THR   4          HG22      THR   4  -3.266   4.260   3.856
   32   HG23  THR   4          HG23      THR   4  -2.404   5.560   4.678
   33    H    GLU   5           H        GLU   5  -6.482   5.810   2.030
   34    HA   GLU   5           HA       GLU   5  -6.988   3.212   2.986
   35    HB2  GLU   5           HB2      GLU   5  -8.846   5.340   1.959
   36    HB3  GLU   5           HB1      GLU   5  -9.377   3.831   2.691
   37    HG2  GLU   5           HG2      GLU   5  -7.702   5.946   4.018
   38    HG3  GLU   5           HG1      GLU   5  -9.420   5.652   4.295
   39    H    ILE   6           H        ILE   6  -7.786   4.729  -0.118
   40    HA   ILE   6           HA       ILE   6  -8.840   2.340  -1.206
   41    HB   ILE   6           HB       ILE   6  -7.939   4.913  -2.545
   42   HG12  ILE   6          HG12      ILE   6 -10.368   5.080  -3.172
   43   HG13  ILE   6          HG11      ILE   6 -10.668   3.633  -2.228
   44   HG21  ILE   6          HG21      ILE   6  -8.821   4.115  -4.690
   45   HG22  ILE   6          HG22      ILE   6  -9.073   2.521  -3.983
   46   HG23  ILE   6          HG23      ILE   6  -7.439   3.161  -4.146
   47   HD11  ILE   6          HD11      ILE   6  -9.675   6.273  -1.195
   48   HD12  ILE   6          HD12      ILE   6  -9.912   4.826  -0.229
   49   HD13  ILE   6          HD13      ILE   6 -11.303   5.612  -0.989
   50    H    CYS   7           H        CYS   7  -5.678   3.773  -1.244
   51    HA   CYS   7           HA       CYS   7  -4.420   2.062  -3.038
   52    HB2  CYS   7           HB2      CYS   7  -3.378   4.113  -2.196
   53    HB3  CYS   7           HB1      CYS   7  -3.265   3.410  -0.596
   54    H    ARG   8           H        ARG   8  -4.934   1.675   0.467
   55    HA   ARG   8           HA       ARG   8  -3.590  -0.835   0.463
   56    HB2  ARG   8           HB2      ARG   8  -3.655   0.447   2.532
   57    HB3  ARG   8           HB1      ARG   8  -5.413   0.366   2.546
   58    HG2  ARG   8           HG2      ARG   8  -4.443  -1.226   4.130
   59    HG3  ARG   8           HG1      ARG   8  -5.323  -2.058   2.848
   60    HD2  ARG   8           HD2      ARG   8  -3.184  -2.466   1.680
   61    HD3  ARG   8           HD1      ARG   8  -2.332  -1.683   3.007
   62    HE   ARG   8           HE       ARG   8  -3.924  -4.144   3.332
   63   HH11  ARG   8          HH11      ARG   8  -0.990  -2.232   4.007
   64   HH12  ARG   8          HH12      ARG   8  -0.260  -3.433   4.961
   65   HH21  ARG   8          HH21      ARG   8  -2.842  -5.850   4.631
   66   HH22  ARG   8          HH22      ARG   8  -1.334  -5.541   5.306
   67    H    GLN   9           H        GLN   9  -6.994   0.176   0.431
   68    HA   GLN   9           HA       GLN   9  -7.977  -2.411   0.737
   69    HB2  GLN   9           HB2      GLN   9  -9.367  -0.005  -0.420
   70    HB3  GLN   9           HB1      GLN   9 -10.160  -1.535  -0.065
   71    HG2  GLN   9           HG2      GLN   9  -8.875   0.356   1.888
   72    HG3  GLN   9           HG1      GLN   9 -10.582  -0.063   1.753
   73   HE21  GLN   9          1HE2      GLN   9 -11.256  -2.110   2.472
   74   HE22  GLN   9          2HE2      GLN   9 -10.314  -3.037   3.578
   75    H    TRP  10           H        TRP  10  -7.029  -0.712  -2.156
   76    HA   TRP  10           HA       TRP  10  -8.112  -2.488  -4.041
   77    HB2  TRP  10           HB2      TRP  10  -7.059  -0.323  -4.642
   78    HB3  TRP  10           HB1      TRP  10  -5.493  -0.973  -4.180
   79    HD1  TRP  10           HD       TRP  10  -8.161  -1.284  -6.934
   80    HE1  TRP  10           HE1      TRP  10  -7.070  -2.370  -8.999
   81    HE3  TRP  10          3HE       TRP  10  -3.662  -2.444  -4.923
   82    HZ2  TRP  10           HZ2      TRP  10  -4.606  -3.545  -9.690
   83    HZ3  TRP  10           HZ3      TRP  10  -1.954  -3.551  -6.345
   84    HH2  TRP  10           HH       TRP  10  -2.432  -4.089  -8.680
   85    H    CYS  11           H        CYS  11  -4.988  -2.538  -2.419
   86    HA   CYS  11           HA       CYS  11  -4.128  -5.032  -3.453
   87    HB2  CYS  11           HB2      CYS  11  -3.351  -3.470  -0.995
   88    HB3  CYS  11           HB1      CYS  11  -2.588  -4.991  -1.429
   89    H    GLN  12           H        GLN  12  -5.812  -4.090  -0.504
   90    HA   GLN  12           HA       GLN  12  -5.703  -6.475   0.873
   91    HB2  GLN  12           HB2      GLN  12  -6.353  -4.314   1.867
   92    HB3  GLN  12           HB1      GLN  12  -7.874  -4.393   0.988
   93    HG2  GLN  12           HG2      GLN  12  -8.231  -5.024   3.268
   94    HG3  GLN  12           HG1      GLN  12  -8.476  -6.428   2.229
   95   HE21  GLN  12          1HE2      GLN  12  -7.919  -6.378   5.045
   96   HE22  GLN  12          2HE2      GLN  12  -6.438  -7.242   5.266
   97    H    VAL  13           H        VAL  13  -8.176  -5.305  -1.435
   98    HA   VAL  13           HA       VAL  13  -9.649  -7.763  -1.056
   99    HB   VAL  13           HB       VAL  13 -11.327  -6.922  -2.590
  100   HG11  VAL  13          HG11      VAL  13 -10.458  -4.790  -0.657
  101   HG12  VAL  13          HG12      VAL  13 -11.466  -6.188  -0.296
  102   HG13  VAL  13          3HG1      VAL  13 -12.060  -4.932  -1.381
  103   HG21  VAL  13          HG21      VAL  13  -9.495  -4.566  -3.050
  104   HG22  VAL  13          HG22      VAL  13 -11.150  -4.711  -3.649
  105   HG23  VAL  13          HG23      VAL  13  -9.901  -5.817  -4.224
  106    H    MET  14           H        MET  14  -7.204  -6.630  -3.135
  107    HA   MET  14           HA       MET  14  -7.828  -8.375  -5.313
  108    HB2  MET  14           HB2      MET  14  -6.451  -6.339  -5.649
  109    HB3  MET  14           HB1      MET  14  -5.183  -7.055  -4.663
  110    HG2  MET  14           HG2      MET  14  -4.983  -8.890  -6.284
  111    HG3  MET  14           HG1      MET  14  -6.206  -8.120  -7.290
  112    HE1  MET  14           HE1      MET  14  -2.988  -7.576  -9.398
  113    HE2  MET  14           HE2      MET  14  -4.650  -8.166  -9.383
  114    HE3  MET  14          3HE       MET  14  -3.414  -8.993  -8.439
  115    H    LYS  15           H        LYS  15  -5.485  -8.488  -2.621
  116    HA   LYS  15           HA       LYS  15  -5.683 -11.334  -2.653
  117    HB2  LYS  15           HB2      LYS  15  -3.999 -10.927  -4.419
  118    HB3  LYS  15           HB1      LYS  15  -3.005 -10.068  -3.253
  119    HG2  LYS  15           HG2      LYS  15  -2.667 -12.066  -1.979
  120    HG3  LYS  15           HG1      LYS  15  -3.815 -12.950  -2.982
  121    HD2  LYS  15           HD2      LYS  15  -2.351 -12.603  -4.926
  122    HD3  LYS  15           HD1      LYS  15  -1.189 -11.774  -3.888
  123    HE2  LYS  15           HE2      LYS  15  -0.562 -14.110  -4.258
  124    HE3  LYS  15           HE1      LYS  15  -0.917 -13.789  -2.561
  125    HZ1  LYS  15           HZ1      LYS  15  -1.902 -15.858  -3.279
  126    HZ2  LYS  15           HZ2      LYS  15  -2.808 -15.095  -4.477
  127    HZ3  LYS  15           HZ3      LYS  15  -3.086 -14.770  -2.856
  128    HA   PRO  16           HA       PRO  16  -4.776  -9.929   1.553
  129    HB2  PRO  16           HB2      PRO  16  -6.591 -11.854   2.556
  130    HB3  PRO  16           HB1      PRO  16  -6.882 -10.118   2.404
  131    HG2  PRO  16           HG2      PRO  16  -8.182 -12.146   0.958
  132    HG3  PRO  16           HG1      PRO  16  -8.196 -10.421   0.576
  133    HD2  PRO  16           HD2      PRO  16  -6.603 -12.614  -0.635
  134    HD3  PRO  16           HD1      PRO  16  -7.217 -11.108  -1.354
  135    H    GLN  17           H        GLN  17  -2.965 -10.790   2.351
  136    HA   GLN  17           HA       GLN  17  -2.816 -13.518   3.156
  137    HB2  GLN  17           HB2      GLN  17  -2.329 -13.821   0.761
  138    HB3  GLN  17           HB1      GLN  17  -1.035 -12.640   0.870
  139    HG2  GLN  17           HG2      GLN  17  -0.171 -14.924   0.863
  140    HG3  GLN  17           HG1      GLN  17   0.207 -14.089   2.366
  141   HE21  GLN  17          1HE2      GLN  17  -2.972 -15.375   1.661
  142   HE22  GLN  17          2HE2      GLN  17  -2.918 -16.650   2.810
  143    H    GLY  18           H        GLY  18  -0.867 -10.703   2.274
  144    HA2  GLY  18           HA2      GLY  18   0.314  -9.477   3.954
  145    HA3  GLY  18           HA1      GLY  18   0.474 -10.985   4.848
  146    H    GLY  19           H        GLY  19   2.631 -11.203   4.906
  147    HA2  GLY  19           HA2      GLY  19   4.691 -11.869   4.189
  148    HA3  GLY  19           HA1      GLY  19   3.839 -12.598   2.838
  149    H    GLU  20           H        GLU  20   5.034 -12.122   1.145
  150    HA   GLU  20           HA       GLU  20   6.496  -9.689   0.890
  151    HB2  GLU  20           HB2      GLU  20   7.366 -11.781  -0.015
  152    HB3  GLU  20           HB1      GLU  20   5.991 -11.917  -1.097
  153    HG2  GLU  20           HG2      GLU  20   6.714  -9.939  -2.295
  154    HG3  GLU  20           HG1      GLU  20   8.056  -9.730  -1.174
  155    H    GLU  21           H        GLU  21   3.453 -10.888  -0.201
  156    HA   GLU  21           HA       GLU  21   2.807  -9.130  -2.276
  157    HB2  GLU  21           HB2      GLU  21   1.546 -11.191  -1.441
  158    HB3  GLU  21           HB1      GLU  21   0.903 -10.167  -0.174
  159    HG2  GLU  21           HG2      GLU  21  -0.697 -10.405  -1.956
  160    HG3  GLU  21           HG1      GLU  21  -0.128  -8.736  -1.878
  161    H    GLN  22           H        GLN  22   2.375  -8.919   1.180
  162    HA   GLN  22           HA       GLN  22   1.185  -6.347   1.188
  163    HB2  GLN  22           HB2      GLN  22   0.931  -7.918   3.022
  164    HB3  GLN  22           HB1      GLN  22   2.641  -7.754   3.420
  165    HG2  GLN  22           HG2      GLN  22   2.265  -5.374   3.892
  166    HG3  GLN  22           HG1      GLN  22   0.558  -5.582   3.520
  167   HE21  GLN  22          1HE2      GLN  22   2.565  -7.904   5.291
  168   HE22  GLN  22          2HE2      GLN  22   1.710  -7.722   6.764
  169    H    ARG  23           H        ARG  23   4.497  -7.507   1.500
  170    HA   ARG  23           HA       ARG  23   5.675  -5.041   2.247
  171    HB2  ARG  23           HB2      ARG  23   6.952  -7.262   0.630
  172    HB3  ARG  23           HB1      ARG  23   7.804  -5.978   1.469
  173    HG2  ARG  23           HG2      ARG  23   6.142  -8.119   2.781
  174    HG3  ARG  23           HG1      ARG  23   7.896  -8.120   2.651
  175    HD2  ARG  23           HD2      ARG  23   6.288  -5.992   4.070
  176    HD3  ARG  23           HD1      ARG  23   7.015  -7.382   4.864
  177    HE   ARG  23           HE       ARG  23   9.061  -6.170   3.512
  178   HH11  ARG  23          HH11      ARG  23   6.778  -5.192   6.046
  179   HH12  ARG  23          HH12      ARG  23   7.828  -4.063   6.758
  180   HH21  ARG  23          HH21      ARG  23  10.536  -4.667   4.570
  181   HH22  ARG  23          HH22      ARG  23  10.016  -3.778   5.920
  182    H    ARG  24           H        ARG  24   5.110  -6.543  -0.892
  183    HA   ARG  24           HA       ARG  24   6.236  -4.496  -2.435
  184    HB2  ARG  24           HB2      ARG  24   4.190  -6.600  -3.089
  185    HB3  ARG  24           HB1      ARG  24   4.708  -5.416  -4.280
  186    HG2  ARG  24           HG2      ARG  24   6.537  -7.334  -2.846
  187    HG3  ARG  24           HG1      ARG  24   5.910  -7.550  -4.484
  188    HD2  ARG  24           HD2      ARG  24   6.988  -5.458  -5.171
  189    HD3  ARG  24           HD1      ARG  24   7.621  -5.241  -3.546
  190    HE   ARG  24           HE       ARG  24   8.480  -7.704  -4.412
  191   HH11  ARG  24          HH11      ARG  24   8.864  -4.319  -5.435
  192   HH12  ARG  24          HH12      ARG  24  10.425  -4.530  -6.061
  193   HH21  ARG  24          HH21      ARG  24  10.652  -7.985  -5.190
  194   HH22  ARG  24          HH22      ARG  24  11.492  -6.681  -5.893
  195    H    CYS  25           H        CYS  25   2.842  -5.006  -1.516
  196    HA   CYS  25           HA       CYS  25   1.985  -2.627  -2.714
  197    HB2  CYS  25           HB2      CYS  25   0.774  -4.352  -0.595
  198    HB3  CYS  25           HB1      CYS  25   0.054  -2.791  -0.971
  199    H    GLN  26           H        GLN  26   3.282  -3.201   0.489
  200    HA   GLN  26           HA       GLN  26   2.797  -0.727   1.661
  201    HB2  GLN  26           HB2      GLN  26   3.653  -2.563   2.946
  202    HB3  GLN  26           HB1      GLN  26   5.078  -2.681   1.931
  203    HG2  GLN  26           HG2      GLN  26   5.849  -0.527   2.784
  204    HG3  GLN  26           HG1      GLN  26   4.434  -0.434   3.828
  205   HE21  GLN  26          1HE2      GLN  26   4.293  -1.758   5.594
  206   HE22  GLN  26          2HE2      GLN  26   5.642  -2.623   6.217
  207    H    GLN  27           H        GLN  27   5.612  -1.815  -0.163
  208    HA   GLN  27           HA       GLN  27   7.159   0.488  -0.172
  209    HB2  GLN  27           HB2      GLN  27   6.880  -1.677  -2.243
  210    HB3  GLN  27           HB1      GLN  27   8.142  -0.456  -2.267
  211    HG2  GLN  27           HG2      GLN  27   9.128  -1.303  -0.299
  212    HG3  GLN  27           HG1      GLN  27   7.718  -2.302   0.053
  213   HE21  GLN  27          1HE2      GLN  27   8.968  -4.115   0.156
  214   HE22  GLN  27          2HE2      GLN  27   9.617  -4.920  -1.234
  215    H    GLU  28           H        GLU  28   4.983  -0.634  -2.752
  216    HA   GLU  28           HA       GLU  28   5.354   1.688  -4.306
  217    HB2  GLU  28           HB2      GLU  28   3.526   0.818  -5.704
  218    HB3  GLU  28           HB1      GLU  28   4.753  -0.393  -5.363
  219    HG2  GLU  28           HG2      GLU  28   3.310  -1.341  -3.640
  220    HG3  GLU  28           HG1      GLU  28   2.072  -0.147  -4.025
  221    H    CYS  29           H        CYS  29   2.970   0.854  -1.866
  222    HA   CYS  29           HA       CYS  29   1.092   2.826  -2.550
  223    HB2  CYS  29           HB2      CYS  29   0.745   0.827  -1.003
  224    HB3  CYS  29           HB1      CYS  29   1.538   1.784   0.243
  225    H    GLU  30           H        GLU  30   3.678   2.838  -0.073
  226    HA   GLU  30           HA       GLU  30   3.046   5.509   0.628
  227    HB2  GLU  30           HB2      GLU  30   5.328   3.736   1.401
  228    HB3  GLU  30           HB1      GLU  30   5.183   5.397   1.964
  229    HG2  GLU  30           HG2      GLU  30   3.014   4.872   2.950
  230    HG3  GLU  30           HG1      GLU  30   3.176   3.205   2.397
  231    H    GLU  31           H        GLU  31   5.176   4.154  -1.710
  232    HA   GLU  31           HA       GLU  31   6.782   6.490  -2.025
  233    HB2  GLU  31           HB2      GLU  31   7.507   4.255  -2.801
  234    HB3  GLU  31           HB1      GLU  31   6.207   4.259  -3.983
  235    HG2  GLU  31           HG2      GLU  31   7.217   6.258  -5.014
  236    HG3  GLU  31           HG1      GLU  31   8.565   6.112  -3.888
  237    H    ARG  32           H        ARG  32   3.932   5.182  -3.611
  238    HA   ARG  32           HA       ARG  32   3.526   7.238  -5.499
  239    HB2  ARG  32           HB2      ARG  32   2.534   5.053  -5.733
  240    HB3  ARG  32           HB1      ARG  32   1.688   5.231  -4.210
  241    HG2  ARG  32           HG2      ARG  32   0.331   7.023  -5.207
  242    HG3  ARG  32           HG1      ARG  32   1.161   6.755  -6.748
  243    HD2  ARG  32           HD2      ARG  32   0.392   4.494  -6.833
  244    HD3  ARG  32           HD1      ARG  32  -0.324   4.628  -5.228
  245    HE   ARG  32           HE       ARG  32  -1.356   6.545  -7.042
  246   HH11  ARG  32          HH11      ARG  32  -1.587   3.109  -6.136
  247   HH12  ARG  32          HH12      ARG  32  -3.208   2.951  -6.618
  248   HH21  ARG  32          HH21      ARG  32  -3.592   6.302  -7.711
  249   HH22  ARG  32          HH22      ARG  32  -4.377   4.803  -7.543
  250    H    LEU  33           H        LEU  33   2.440   6.695  -2.220
  251    HA   LEU  33           HA       LEU  33   0.632   8.855  -2.058
  252    HB2  LEU  33           HB2      LEU  33   0.634   6.889  -0.578
  253    HB3  LEU  33           HB1      LEU  33   2.148   7.430   0.110
  254    HG   LEU  33           HG       LEU  33   0.987   9.462   0.934
  255   HD11  LEU  33          HD11      LEU  33  -1.449   9.459   1.023
  256   HD12  LEU  33          HD12      LEU  33  -1.488   8.018   0.007
  257   HD13  LEU  33          HD13      LEU  33  -0.857   9.537  -0.633
  258   HD21  LEU  33          HD21      LEU  33  -0.107   6.806   1.838
  259   HD22  LEU  33          HD22      LEU  33  -0.163   8.313   2.752
  260   HD23  LEU  33          HD23      LEU  33   1.392   7.563   2.385
  261    H    ARG  34           H        ARG  34   4.079   8.524  -1.495
  262    HA   ARG  34           HA       ARG  34   4.431  10.989  -0.138
  263    HB2  ARG  34           HB2      ARG  34   6.069   9.133   0.011
  264    HB3  ARG  34           HB1      ARG  34   6.457   9.367  -1.683
  265    HG2  ARG  34           HG2      ARG  34   7.254  11.632  -1.183
  266    HG3  ARG  34           HG1      ARG  34   6.912  11.365   0.527
  267    HD2  ARG  34           HD2      ARG  34   9.270  10.990   0.054
  268    HD3  ARG  34           HD1      ARG  34   8.481   9.487   0.536
  269    HE   ARG  34           HE       ARG  34   8.681  10.047  -2.301
  270   HH11  ARG  34          HH11      ARG  34  10.017   8.270   0.465
  271   HH12  ARG  34          HH12      ARG  34  10.784   7.089  -0.497
  272   HH21  ARG  34          HH21      ARG  34   9.747   8.442  -3.592
  273   HH22  ARG  34          HH22      ARG  34  10.654   7.194  -2.877
  274    H    ASP  35           H        ASP  35   3.865  12.758  -1.053
  275    HA   ASP  35           HA       ASP  35   4.989  13.468  -3.633
  276    HB2  ASP  35           HB2      ASP  35   2.669  12.870  -4.119
  277    HB3  ASP  35           HB1      ASP  35   2.119  13.865  -2.775
  Start of MODEL   16
    1    H    PCA   1           H        PGL   1  -6.307  12.060   2.547
    2    HA   PCA   1           HA       PGL   1  -4.896  10.052   3.008
    3    HB2  PCA   1           HB1      PGL   1  -4.847   9.789   5.290
    4    HB3  PCA   1           HB2      PGL   1  -6.337   8.823   5.095
    5    HG2  PCA   1           HG1      PGL   1  -6.049  11.476   6.267
    6    HG3  PCA   1           HG2      PGL   1  -7.533  10.472   6.108
    7    H    LYS   2           H        LYS   2  -7.736  10.621   1.819
    8    HA   LYS   2           HA       LYS   2  -9.154   8.177   1.994
    9    HB2  LYS   2           HB2      LYS   2  -9.405  10.438   0.010
   10    HB3  LYS   2           HB1      LYS   2 -10.560   9.134   0.229
   11    HG2  LYS   2           HG2      LYS   2  -9.826  11.195   2.298
   12    HG3  LYS   2           HG1      LYS   2 -11.306  11.164   1.335
   13    HD2  LYS   2           HD2      LYS   2 -11.923   9.025   2.339
   14    HD3  LYS   2           HD1      LYS   2 -10.432   9.024   3.273
   15    HE2  LYS   2           HE2      LYS   2 -11.123  11.038   4.433
   16    HE3  LYS   2           HE1      LYS   2 -12.599  11.094   3.473
   17    HZ1  LYS   2           HZ1      LYS   2 -11.860   8.896   5.328
   18    HZ2  LYS   2           HZ2      LYS   2 -13.274   8.997   4.444
   19    HZ3  LYS   2           HZ3      LYS   2 -12.978  10.111   5.669
   20    H    GLU   3           H        GLU   3  -6.866   9.491  -0.285
   21    HA   GLU   3           HA       GLU   3  -7.223   7.328  -2.104
   22    HB2  GLU   3           HB2      GLU   3  -5.198   8.230  -3.249
   23    HB3  GLU   3           HB1      GLU   3  -6.471   9.412  -3.002
   24    HG2  GLU   3           HG2      GLU   3  -5.209  10.199  -0.979
   25    HG3  GLU   3           HG1      GLU   3  -3.891   9.148  -1.490
   26    H    THR   4           H        THR   4  -5.316   7.863   0.610
   27    HA   THR   4           HA       THR   4  -3.448   5.733   0.290
   28    HB   THR   4           HB       THR   4  -4.363   6.870   2.896
   29    HG1  THR   4           HG1      THR   4  -2.780   8.583   2.404
   30   HG21  THR   4          HG21      THR   4  -2.629   5.121   2.917
   31   HG22  THR   4          HG22      THR   4  -1.957   6.663   3.447
   32   HG23  THR   4          HG23      THR   4  -1.643   6.080   1.813
   33    H    GLU   5           H        GLU   5  -6.593   6.198   1.725
   34    HA   GLU   5           HA       GLU   5  -6.967   3.782   3.081
   35    HB2  GLU   5           HB2      GLU   5  -8.331   5.825   3.340
   36    HB3  GLU   5           HB1      GLU   5  -8.928   5.635   1.709
   37    HG2  GLU   5           HG2      GLU   5 -10.591   4.983   3.325
   38    HG3  GLU   5           HG1      GLU   5 -10.073   3.601   2.368
   39    H    ILE   6           H        ILE   6  -7.853   4.785  -0.216
   40    HA   ILE   6           HA       ILE   6  -8.871   2.339  -1.194
   41    HB   ILE   6           HB       ILE   6  -7.316   4.408  -2.756
   42   HG12  ILE   6          HG12      ILE   6 -10.299   4.236  -2.362
   43   HG13  ILE   6          HG11      ILE   6  -9.246   5.363  -1.504
   44   HG21  ILE   6          HG21      ILE   6  -7.606   2.309  -3.959
   45   HG22  ILE   6          HG22      ILE   6  -8.592   3.583  -4.683
   46   HG23  ILE   6          HG23      ILE   6  -9.345   2.363  -3.660
   47   HD11  ILE   6          HD11      ILE   6  -8.572   6.341  -3.556
   48   HD12  ILE   6          HD12      ILE   6 -10.350   6.397  -3.431
   49   HD13  ILE   6          HD13      ILE   6  -9.554   5.210  -4.475
   50    H    CYS   7           H        CYS   7  -5.691   3.763  -1.408
   51    HA   CYS   7           HA       CYS   7  -4.229   1.878  -2.731
   52    HB2  CYS   7           HB2      CYS   7  -3.325   4.036  -1.992
   53    HB3  CYS   7           HB1      CYS   7  -3.319   3.477  -0.331
   54    H    ARG   8           H        ARG   8  -4.883   1.769   0.805
   55    HA   ARG   8           HA       ARG   8  -3.610  -0.763   1.044
   56    HB2  ARG   8           HB2      ARG   8  -3.733   0.456   3.084
   57    HB3  ARG   8           HB1      ARG   8  -5.464   0.707   2.917
   58    HG2  ARG   8           HG2      ARG   8  -4.939  -0.949   4.665
   59    HG3  ARG   8           HG1      ARG   8  -5.893  -1.646   3.362
   60    HD2  ARG   8           HD2      ARG   8  -3.699  -2.493   2.392
   61    HD3  ARG   8           HD1      ARG   8  -2.944  -2.030   3.916
   62    HE   ARG   8           HE       ARG   8  -5.071  -3.558   4.651
   63   HH11  ARG   8          HH11      ARG   8  -2.255  -4.089   2.612
   64   HH12  ARG   8          HH12      ARG   8  -2.212  -5.772   2.820
   65   HH21  ARG   8          HH21      ARG   8  -5.034  -5.874   4.990
   66   HH22  ARG   8          HH22      ARG   8  -3.874  -6.835   4.228
   67    H    GLN   9           H        GLN   9  -6.990   0.176   0.658
   68    HA   GLN   9           HA       GLN   9  -8.128  -2.331   1.022
   69    HB2  GLN   9           HB2      GLN   9  -9.403  -0.219   0.914
   70    HB3  GLN   9           HB1      GLN   9  -9.089  -0.130  -0.808
   71    HG2  GLN   9           HG2      GLN   9 -10.412  -2.087  -1.220
   72    HG3  GLN   9           HG1      GLN   9 -10.606  -2.372   0.507
   73   HE21  GLN   9          1HE2      GLN   9 -12.821  -2.296   0.318
   74   HE22  GLN   9          2HE2      GLN   9 -13.694  -0.827   0.118
   75    H    TRP  10           H        TRP  10  -6.660  -0.971  -1.851
   76    HA   TRP  10           HA       TRP  10  -7.368  -2.961  -3.722
   77    HB2  TRP  10           HB2      TRP  10  -6.308  -0.759  -4.262
   78    HB3  TRP  10           HB1      TRP  10  -4.800  -1.370  -3.602
   79    HD1  TRP  10           HD       TRP  10  -7.155  -1.854  -6.604
   80    HE1  TRP  10           HE1      TRP  10  -5.827  -2.943  -8.507
   81    HE3  TRP  10          3HE       TRP  10  -2.859  -2.816  -4.107
   82    HZ2  TRP  10           HZ2      TRP  10  -3.267  -4.074  -8.903
   83    HZ3  TRP  10           HZ3      TRP  10  -0.988  -3.910  -5.308
   84    HH2  TRP  10           HH       TRP  10  -1.200  -4.524  -7.653
   85    H    CYS  11           H        CYS  11  -4.406  -2.673  -1.796
   86    HA   CYS  11           HA       CYS  11  -3.434  -5.221  -2.515
   87    HB2  CYS  11           HB2      CYS  11  -2.690  -3.270  -0.371
   88    HB3  CYS  11           HB1      CYS  11  -1.907  -4.841  -0.498
   89    H    GLN  12           H        GLN  12  -5.440  -4.118   0.089
   90    HA   GLN  12           HA       GLN  12  -5.262  -6.196   1.898
   91    HB2  GLN  12           HB2      GLN  12  -6.428  -4.082   2.282
   92    HB3  GLN  12           HB1      GLN  12  -7.667  -4.551   1.131
   93    HG2  GLN  12           HG2      GLN  12  -8.327  -6.387   2.575
   94    HG3  GLN  12           HG1      GLN  12  -7.066  -5.942   3.725
   95   HE21  GLN  12          1HE2      GLN  12  -8.482  -5.535   5.353
   96   HE22  GLN  12          2HE2      GLN  12  -9.538  -4.170   5.381
   97    H    VAL  13           H        VAL  13  -7.434  -5.774  -0.857
   98    HA   VAL  13           HA       VAL  13  -8.727  -8.298  -0.449
   99    HB   VAL  13           HB       VAL  13  -8.982  -6.308  -2.716
  100   HG11  VAL  13          HG11      VAL  13 -10.765  -8.651  -2.031
  101   HG12  VAL  13          HG12      VAL  13  -9.706  -8.536  -3.435
  102   HG13  VAL  13          3HG1      VAL  13 -11.079  -7.440  -3.275
  103   HG21  VAL  13          HG21      VAL  13 -10.643  -6.766  -0.245
  104   HG22  VAL  13          HG22      VAL  13 -11.093  -5.714  -1.578
  105   HG23  VAL  13          HG23      VAL  13  -9.657  -5.351  -0.618
  106    H    MET  14           H        MET  14  -6.303  -7.062  -2.706
  107    HA   MET  14           HA       MET  14  -6.440  -9.523  -4.209
  108    HB2  MET  14           HB2      MET  14  -4.752  -7.078  -4.625
  109    HB3  MET  14           HB1      MET  14  -4.559  -8.539  -5.581
  110    HG2  MET  14           HG2      MET  14  -6.932  -8.355  -6.257
  111    HG3  MET  14           HG1      MET  14  -7.023  -6.825  -5.388
  112    HE1  MET  14           HE1      MET  14  -7.072  -5.816  -9.201
  113    HE2  MET  14           HE2      MET  14  -7.954  -5.762  -7.677
  114    HE3  MET  14          3HE       MET  14  -7.740  -7.296  -8.517
  115    H    LYS  15           H        LYS  15  -4.393  -8.335  -1.679
  116    HA   LYS  15           HA       LYS  15  -2.540 -10.538  -2.224
  117    HB2  LYS  15           HB2      LYS  15  -2.147  -7.904  -0.814
  118    HB3  LYS  15           HB1      LYS  15  -1.071  -9.249  -0.512
  119    HG2  LYS  15           HG2      LYS  15  -0.075  -7.733  -2.099
  120    HG3  LYS  15           HG1      LYS  15  -0.448  -9.252  -2.908
  121    HD2  LYS  15           HD2      LYS  15  -2.429  -8.181  -3.896
  122    HD3  LYS  15           HD1      LYS  15  -2.015  -6.682  -3.059
  123    HE2  LYS  15           HE2      LYS  15  -1.225  -6.587  -5.359
  124    HE3  LYS  15           HE1      LYS  15   0.128  -6.609  -4.239
  125    HZ1  LYS  15           HZ1      LYS  15   0.514  -8.065  -6.117
  126    HZ2  LYS  15           HZ2      LYS  15  -0.876  -8.936  -5.792
  127    HZ3  LYS  15           HZ3      LYS  15   0.424  -9.002  -4.716
  128    HA   PRO  16           HA       PRO  16  -4.776 -12.350   1.265
  129    HB2  PRO  16           HB2      PRO  16  -2.907 -14.567   0.762
  130    HB3  PRO  16           HB1      PRO  16  -4.672 -14.567   0.771
  131    HG2  PRO  16           HG2      PRO  16  -3.299 -14.793  -1.494
  132    HG3  PRO  16           HG1      PRO  16  -4.818 -13.891  -1.419
  133    HD2  PRO  16           HD2      PRO  16  -2.008 -12.861  -1.469
  134    HD3  PRO  16           HD1      PRO  16  -3.463 -12.259  -2.296
  135    H    GLN  17           H        GLN  17  -4.301 -11.759   3.208
  136    HA   GLN  17           HA       GLN  17  -3.406 -11.566   5.229
  137    HB2  GLN  17           HB2      GLN  17  -1.419 -13.634   4.291
  138    HB3  GLN  17           HB1      GLN  17  -1.546 -13.070   5.952
  139    HG2  GLN  17           HG2      GLN  17  -3.717 -14.457   4.393
  140    HG3  GLN  17           HG1      GLN  17  -2.697 -15.199   5.624
  141   HE21  GLN  17          1HE2      GLN  17  -5.585 -14.840   5.478
  142   HE22  GLN  17          2HE2      GLN  17  -6.073 -13.987   6.889
  143    H    GLY  18           H        GLY  18  -0.520 -11.854   3.204
  144    HA2  GLY  18           HA2      GLY  18   0.215  -9.351   2.899
  145    HA3  GLY  18           HA1      GLY  18   0.615  -9.572   4.601
  146    H    GLY  19           H        GLY  19   2.675 -10.067   4.937
  147    HA2  GLY  19           HA2      GLY  19   4.701 -11.133   4.692
  148    HA3  GLY  19           HA1      GLY  19   4.048 -12.004   3.304
  149    H    GLU  20           H        GLU  20   5.763 -11.623   1.958
  150    HA   GLU  20           HA       GLU  20   7.032  -9.204   1.460
  151    HB2  GLU  20           HB2      GLU  20   7.620 -10.179  -0.765
  152    HB3  GLU  20           HB1      GLU  20   7.962 -11.231   0.600
  153    HG2  GLU  20           HG2      GLU  20   5.994 -12.544   0.137
  154    HG3  GLU  20           HG1      GLU  20   5.526 -11.437  -1.152
  155    H    GLU  21           H        GLU  21   4.015 -10.403   0.267
  156    HA   GLU  21           HA       GLU  21   3.507  -8.580  -1.796
  157    HB2  GLU  21           HB2      GLU  21   1.657 -10.051   0.070
  158    HB3  GLU  21           HB1      GLU  21   1.101  -9.119  -1.308
  159    HG2  GLU  21           HG2      GLU  21   2.922 -11.511  -1.422
  160    HG3  GLU  21           HG1      GLU  21   1.200 -11.501  -1.802
  161    H    GLN  22           H        GLN  22   2.978  -8.420   1.665
  162    HA   GLN  22           HA       GLN  22   1.516  -5.948   1.581
  163    HB2  GLN  22           HB2      GLN  22   1.142  -7.663   3.302
  164    HB3  GLN  22           HB1      GLN  22   2.779  -7.430   3.883
  165    HG2  GLN  22           HG2      GLN  22   2.196  -5.135   4.511
  166    HG3  GLN  22           HG1      GLN  22   0.545  -5.420   3.954
  167   HE21  GLN  22          1HE2      GLN  22  -0.788  -6.772   5.144
  168   HE22  GLN  22          2HE2      GLN  22  -0.411  -7.266   6.748
  169    H    ARG  23           H        ARG  23   4.790  -7.018   2.176
  170    HA   ARG  23           HA       ARG  23   5.938  -4.599   3.058
  171    HB2  ARG  23           HB2      ARG  23   7.201  -6.789   1.395
  172    HB3  ARG  23           HB1      ARG  23   8.087  -5.523   2.222
  173    HG2  ARG  23           HG2      ARG  23   7.299  -6.392   4.370
  174    HG3  ARG  23           HG1      ARG  23   6.430  -7.675   3.521
  175    HD2  ARG  23           HD2      ARG  23   8.590  -8.413   2.551
  176    HD3  ARG  23           HD1      ARG  23   9.398  -7.187   3.520
  177    HE   ARG  23           HE       ARG  23   8.073  -8.541   5.382
  178   HH11  ARG  23          HH11      ARG  23  10.152  -9.661   2.739
  179   HH12  ARG  23          HH12      ARG  23  10.650 -11.072   3.568
  180   HH21  ARG  23          HH21      ARG  23   8.789 -10.500   6.503
  181   HH22  ARG  23          HH22      ARG  23   9.878 -11.544   5.707
  182    H    ARG  24           H        ARG  24   5.740  -6.026  -0.191
  183    HA   ARG  24           HA       ARG  24   6.782  -3.866  -1.613
  184    HB2  ARG  24           HB2      ARG  24   6.510  -6.014  -2.700
  185    HB3  ARG  24           HB1      ARG  24   4.766  -5.957  -2.464
  186    HG2  ARG  24           HG2      ARG  24   4.658  -3.980  -3.913
  187    HG3  ARG  24           HG1      ARG  24   6.389  -4.107  -4.190
  188    HD2  ARG  24           HD2      ARG  24   6.102  -6.215  -5.303
  189    HD3  ARG  24           HD1      ARG  24   4.389  -6.249  -4.862
  190    HE   ARG  24           HE       ARG  24   4.430  -3.998  -6.119
  191   HH11  ARG  24          HH11      ARG  24   5.879  -7.073  -7.156
  192   HH12  ARG  24          HH12      ARG  24   5.899  -6.670  -8.811
  193   HH21  ARG  24          HH21      ARG  24   4.451  -3.441  -8.376
  194   HH22  ARG  24          HH22      ARG  24   5.059  -4.542  -9.527
  195    H    CYS  25           H        CYS  25   3.436  -4.654  -0.763
  196    HA   CYS  25           HA       CYS  25   2.294  -2.485  -2.034
  197    HB2  CYS  25           HB2      CYS  25   1.354  -4.223   0.189
  198    HB3  CYS  25           HB1      CYS  25   0.428  -2.801  -0.290
  199    H    GLN  26           H        GLN  26   3.605  -2.636   1.261
  200    HA   GLN  26           HA       GLN  26   2.729  -0.074   2.001
  201    HB2  GLN  26           HB2      GLN  26   3.738  -1.668   3.621
  202    HB3  GLN  26           HB1      GLN  26   5.295  -1.453   2.829
  203    HG2  GLN  26           HG2      GLN  26   5.201   0.950   3.359
  204    HG3  GLN  26           HG1      GLN  26   3.704   0.665   4.239
  205   HE21  GLN  26          1HE2      GLN  26   6.235   1.729   5.158
  206   HE22  GLN  26          2HE2      GLN  26   6.729   0.688   6.449
  207    H    GLN  27           H        GLN  27   5.701  -1.212   0.519
  208    HA   GLN  27           HA       GLN  27   7.079   1.179   0.233
  209    HB2  GLN  27           HB2      GLN  27   8.012  -1.069  -0.162
  210    HB3  GLN  27           HB1      GLN  27   7.055  -1.193  -1.628
  211    HG2  GLN  27           HG2      GLN  27   8.269   0.691  -2.580
  212    HG3  GLN  27           HG1      GLN  27   9.240   0.807  -1.114
  213   HE21  GLN  27          1HE2      GLN  27  10.702  -0.851  -0.644
  214   HE22  GLN  27          2HE2      GLN  27  11.252  -1.934  -1.868
  215    H    GLU  28           H        GLU  28   4.937  -0.405  -2.121
  216    HA   GLU  28           HA       GLU  28   5.116   1.720  -3.972
  217    HB2  GLU  28           HB2      GLU  28   3.024  -0.422  -3.738
  218    HB3  GLU  28           HB1      GLU  28   3.203   0.661  -5.110
  219    HG2  GLU  28           HG2      GLU  28   5.531  -0.259  -5.372
  220    HG3  GLU  28           HG1      GLU  28   5.089  -1.475  -4.175
  221    H    CYS  29           H        CYS  29   3.023   1.157  -1.251
  222    HA   CYS  29           HA       CYS  29   1.042   3.047  -2.002
  223    HB2  CYS  29           HB2      CYS  29   0.986   1.111  -0.206
  224    HB3  CYS  29           HB1      CYS  29   1.614   2.355   0.865
  225    H    GLU  30           H        GLU  30   3.923   3.132   0.078
  226    HA   GLU  30           HA       GLU  30   3.672   5.857   0.819
  227    HB2  GLU  30           HB2      GLU  30   6.160   4.135   0.696
  228    HB3  GLU  30           HB1      GLU  30   6.011   5.659   1.558
  229    HG2  GLU  30           HG2      GLU  30   4.352   4.658   3.042
  230    HG3  GLU  30           HG1      GLU  30   4.483   3.138   2.163
  231    H    GLU  31           H        GLU  31   5.159   4.164  -1.833
  232    HA   GLU  31           HA       GLU  31   6.590   6.293  -3.014
  233    HB2  GLU  31           HB2      GLU  31   6.754   3.811  -3.517
  234    HB3  GLU  31           HB1      GLU  31   5.260   3.978  -4.420
  235    HG2  GLU  31           HG2      GLU  31   7.058   4.021  -5.964
  236    HG3  GLU  31           HG1      GLU  31   6.406   5.659  -5.853
  237    H    ARG  32           H        ARG  32   3.292   5.130  -3.300
  238    HA   ARG  32           HA       ARG  32   2.603   6.931  -5.415
  239    HB2  ARG  32           HB2      ARG  32   1.569   4.694  -5.208
  240    HB3  ARG  32           HB1      ARG  32   0.833   5.188  -3.701
  241    HG2  ARG  32           HG2      ARG  32  -0.789   5.225  -5.510
  242    HG3  ARG  32           HG1      ARG  32  -0.489   6.832  -4.857
  243    HD2  ARG  32           HD2      ARG  32   0.912   5.829  -7.328
  244    HD3  ARG  32           HD1      ARG  32  -0.653   6.636  -7.410
  245    HE   ARG  32           HE       ARG  32   0.889   8.333  -5.959
  246   HH11  ARG  32          HH11      ARG  32   1.223   6.926  -9.203
  247   HH12  ARG  32          HH12      ARG  32   2.146   8.228  -9.805
  248   HH21  ARG  32          HH21      ARG  32   2.180  10.098  -6.811
  249   HH22  ARG  32          HH22      ARG  32   2.706  10.031  -8.430
  250    H    LEU  33           H        LEU  33   2.182   6.830  -1.948
  251    HA   LEU  33           HA       LEU  33   0.581   9.176  -1.806
  252    HB2  LEU  33           HB2      LEU  33   0.667   7.461  -0.025
  253    HB3  LEU  33           HB1      LEU  33   2.335   7.883   0.289
  254    HG   LEU  33           HG       LEU  33   1.617  10.126   1.029
  255   HD11  LEU  33          HD11      LEU  33  -0.412  10.341  -0.289
  256   HD12  LEU  33          HD12      LEU  33  -0.758  10.557   1.427
  257   HD13  LEU  33          HD13      LEU  33  -1.164   9.038   0.630
  258   HD21  LEU  33          HD21      LEU  33   0.583   9.412   3.120
  259   HD22  LEU  33          HD22      LEU  33   1.898   8.336   2.653
  260   HD23  LEU  33          HD23      LEU  33   0.224   7.838   2.411
  261    H    ARG  34           H        ARG  34   3.963   8.436  -1.809
  262    HA   ARG  34           HA       ARG  34   5.832   9.568  -2.208
  263    HB2  ARG  34           HB2      ARG  34   4.578  10.795  -3.961
  264    HB3  ARG  34           HB1      ARG  34   4.088  11.978  -2.759
  265    HG2  ARG  34           HG2      ARG  34   6.633  12.283  -2.376
  266    HG3  ARG  34           HG1      ARG  34   6.787  11.513  -3.958
  267    HD2  ARG  34           HD2      ARG  34   6.737  13.901  -4.248
  268    HD3  ARG  34           HD1      ARG  34   5.234  13.212  -4.870
  269    HE   ARG  34           HE       ARG  34   5.033  14.005  -2.133
  270   HH11  ARG  34          HH11      ARG  34   4.739  15.238  -5.446
  271   HH12  ARG  34          HH12      ARG  34   3.826  16.591  -4.997
  272   HH21  ARG  34          HH21      ARG  34   3.766  15.783  -1.530
  273   HH22  ARG  34          HH22      ARG  34   3.228  16.904  -2.702
  274    H    ASP  35           H        ASP  35   3.892  12.103  -0.848
  275    HA   ASP  35           HA       ASP  35   4.934  12.201   1.728
  276    HB2  ASP  35           HB2      ASP  35   7.087  12.841   0.786
  277    HB3  ASP  35           HB1      ASP  35   6.318  14.039  -0.248
  Start of MODEL   17
    1    H    PCA   1           H        PGL   1  -7.494  11.651   3.738
    2    HA   PCA   1           HA       PGL   1  -5.341  10.416   3.574
    3    HB2  PCA   1           HB1      PGL   1  -4.700   9.712   5.646
    4    HB3  PCA   1           HB2      PGL   1  -5.810   8.328   5.431
    5    HG2  PCA   1           HG1      PGL   1  -6.129  10.635   7.173
    6    HG3  PCA   1           HG2      PGL   1  -7.217   9.217   6.979
    7    H    LYS   2           H        LYS   2  -8.341  10.010   2.820
    8    HA   LYS   2           HA       LYS   2  -8.542   7.240   2.598
    9    HB2  LYS   2           HB2      LYS   2 -10.281   9.429   1.576
   10    HB3  LYS   2           HB1      LYS   2 -10.567   7.749   1.137
   11    HG2  LYS   2           HG2      LYS   2 -10.628   7.189   3.553
   12    HG3  LYS   2           HG1      LYS   2 -10.510   8.911   3.908
   13    HD2  LYS   2           HD2      LYS   2 -12.601   9.314   2.771
   14    HD3  LYS   2           HD1      LYS   2 -12.700   7.616   2.294
   15    HE2  LYS   2           HE2      LYS   2 -12.698   8.646   5.133
   16    HE3  LYS   2           HE1      LYS   2 -14.115   8.109   4.235
   17    HZ1  LYS   2           HZ1      LYS   2 -11.784   6.351   4.886
   18    HZ2  LYS   2           HZ2      LYS   2 -13.212   5.895   4.143
   19    HZ3  LYS   2           HZ3      LYS   2 -13.239   6.395   5.731
   20    H    GLU   3           H        GLU   3  -6.959   9.438   0.625
   21    HA   GLU   3           HA       GLU   3  -7.156   7.933  -1.782
   22    HB2  GLU   3           HB2      GLU   3  -4.919   9.747  -0.893
   23    HB3  GLU   3           HB1      GLU   3  -5.126   9.119  -2.515
   24    HG2  GLU   3           HG2      GLU   3  -7.327  10.308  -2.584
   25    HG3  GLU   3           HG1      GLU   3  -6.859  11.077  -1.065
   26    H    THR   4           H        THR   4  -5.050   7.926   0.883
   27    HA   THR   4           HA       THR   4  -3.327   5.853  -0.066
   28    HB   THR   4           HB       THR   4  -3.732   6.686   2.791
   29    HG1  THR   4           HG1      THR   4  -1.710   8.023   1.921
   30   HG21  THR   4          HG21      THR   4  -1.335   6.107   2.977
   31   HG22  THR   4          HG22      THR   4  -1.327   5.666   1.269
   32   HG23  THR   4          HG23      THR   4  -2.298   4.740   2.414
   33    H    GLU   5           H        GLU   5  -6.196   6.107   1.892
   34    HA   GLU   5           HA       GLU   5  -6.435   3.539   2.925
   35    HB2  GLU   5           HB2      GLU   5  -7.870   5.460   3.535
   36    HB3  GLU   5           HB1      GLU   5  -8.631   5.354   1.952
   37    HG2  GLU   5           HG2      GLU   5  -9.464   3.132   2.518
   38    HG3  GLU   5           HG1      GLU   5  -8.749   3.279   4.121
   39    H    ILE   6           H        ILE   6  -7.804   4.845  -0.111
   40    HA   ILE   6           HA       ILE   6  -8.905   2.482  -1.170
   41    HB   ILE   6           HB       ILE   6  -7.568   4.708  -2.735
   42   HG12  ILE   6          HG12      ILE   6 -10.495   4.457  -2.048
   43   HG13  ILE   6          HG11      ILE   6  -9.366   5.472  -1.149
   44   HG21  ILE   6          HG21      ILE   6  -9.058   4.035  -4.565
   45   HG22  ILE   6          HG22      ILE   6  -9.674   2.715  -3.574
   46   HG23  ILE   6          HG23      ILE   6  -7.984   2.721  -4.081
   47   HD11  ILE   6          HD11      ILE   6  -8.873   6.699  -3.160
   48   HD12  ILE   6          HD12      ILE   6 -10.600   6.790  -2.766
   49   HD13  ILE   6          HD13      ILE   6 -10.028   5.728  -4.068
   50    H    CYS   7           H        CYS   7  -5.806   3.955  -1.651
   51    HA   CYS   7           HA       CYS   7  -4.492   2.205  -3.300
   52    HB2  CYS   7           HB2      CYS   7  -3.499   4.292  -2.666
   53    HB3  CYS   7           HB1      CYS   7  -3.448   3.814  -0.977
   54    H    ARG   8           H        ARG   8  -4.457   1.995   0.295
   55    HA   ARG   8           HA       ARG   8  -3.128  -0.520   0.214
   56    HB2  ARG   8           HB2      ARG   8  -2.888   1.016   2.152
   57    HB3  ARG   8           HB1      ARG   8  -4.573   0.768   2.560
   58    HG2  ARG   8           HG2      ARG   8  -2.648  -1.552   2.477
   59    HG3  ARG   8           HG1      ARG   8  -2.746  -0.514   3.891
   60    HD2  ARG   8           HD2      ARG   8  -5.012  -1.144   4.298
   61    HD3  ARG   8           HD1      ARG   8  -5.157  -1.902   2.716
   62    HE   ARG   8           HE       ARG   8  -3.362  -3.463   3.626
   63   HH11  ARG   8          HH11      ARG   8  -5.916  -2.071   5.698
   64   HH12  ARG   8          HH12      ARG   8  -5.995  -3.421   6.724
   65   HH21  ARG   8          HH21      ARG   8  -3.501  -5.284   5.074
   66   HH22  ARG   8          HH22      ARG   8  -4.601  -5.296   6.369
   67    H    GLN   9           H        GLN   9  -6.490   0.454   0.488
   68    HA   GLN   9           HA       GLN   9  -7.663  -1.963   1.203
   69    HB2  GLN   9           HB2      GLN   9  -8.864   0.194   1.046
   70    HB3  GLN   9           HB1      GLN   9  -8.742   0.124  -0.704
   71    HG2  GLN   9           HG2      GLN   9 -10.941  -0.538  -0.053
   72    HG3  GLN   9           HG1      GLN   9 -10.083  -1.949  -0.669
   73   HE21  GLN   9          1HE2      GLN   9 -11.389  -3.380   0.420
   74   HE22  GLN   9          2HE2      GLN   9 -11.334  -3.573   2.136
   75    H    TRP  10           H        TRP  10  -6.713  -0.748  -1.951
   76    HA   TRP  10           HA       TRP  10  -7.739  -2.831  -3.538
   77    HB2  TRP  10           HB2      TRP  10  -6.899  -0.631  -4.383
   78    HB3  TRP  10           HB1      TRP  10  -5.262  -1.175  -4.047
   79    HD1  TRP  10           HD       TRP  10  -8.193  -1.809  -6.423
   80    HE1  TRP  10           HE1      TRP  10  -7.310  -3.012  -8.506
   81    HE3  TRP  10          3HE       TRP  10  -3.430  -2.685  -4.881
   82    HZ2  TRP  10           HZ2      TRP  10  -4.904  -4.185  -9.395
   83    HZ3  TRP  10           HZ3      TRP  10  -1.876  -3.857  -6.410
   84    HH2  TRP  10           HH       TRP  10  -2.613  -4.591  -8.620
   85    H    CYS  11           H        CYS  11  -4.568  -2.412  -2.020
   86    HA   CYS  11           HA       CYS  11  -3.631  -4.914  -2.955
   87    HB2  CYS  11           HB2      CYS  11  -2.553  -2.983  -0.933
   88    HB3  CYS  11           HB1      CYS  11  -1.779  -4.534  -1.248
   89    H    GLN  12           H        GLN  12  -5.283  -3.915  -0.063
   90    HA   GLN  12           HA       GLN  12  -4.842  -6.215   1.467
   91    HB2  GLN  12           HB2      GLN  12  -5.815  -4.131   2.345
   92    HB3  GLN  12           HB1      GLN  12  -7.272  -4.420   1.406
   93    HG2  GLN  12           HG2      GLN  12  -7.660  -6.481   2.685
   94    HG3  GLN  12           HG1      GLN  12  -6.223  -6.129   3.643
   95   HE21  GLN  12          1HE2      GLN  12  -7.388  -6.021   5.513
   96   HE22  GLN  12          2HE2      GLN  12  -8.418  -4.684   5.902
   97    H    VAL  13           H        VAL  13  -7.066  -5.472  -1.101
   98    HA   VAL  13           HA       VAL  13  -8.522  -7.955  -0.812
   99    HB   VAL  13           HB       VAL  13  -8.720  -5.827  -2.971
  100   HG11  VAL  13          HG11      VAL  13  -9.474  -7.997  -3.794
  101   HG12  VAL  13          HG12      VAL  13 -10.839  -6.899  -3.584
  102   HG13  VAL  13          3HG1      VAL  13 -10.538  -8.170  -2.398
  103   HG21  VAL  13          HG21      VAL  13  -9.398  -5.005  -0.780
  104   HG22  VAL  13          HG22      VAL  13 -10.480  -6.384  -0.583
  105   HG23  VAL  13          HG23      VAL  13 -10.801  -5.184  -1.834
  106    H    MET  14           H        MET  14  -6.258  -6.537  -3.124
  107    HA   MET  14           HA       MET  14  -6.284  -8.821  -4.830
  108    HB2  MET  14           HB2      MET  14  -4.439  -6.446  -4.773
  109    HB3  MET  14           HB1      MET  14  -4.374  -7.707  -5.991
  110    HG2  MET  14           HG2      MET  14  -6.725  -5.909  -5.447
  111    HG3  MET  14           HG1      MET  14  -5.573  -5.722  -6.764
  112    HE1  MET  14           HE1      MET  14  -8.729  -5.800  -7.162
  113    HE2  MET  14           HE2      MET  14  -8.852  -6.826  -8.591
  114    HE3  MET  14          3HE       MET  14  -7.578  -5.611  -8.486
  115    H    LYS  15           H        LYS  15  -4.079  -7.756  -2.258
  116    HA   LYS  15           HA       LYS  15  -2.657 -10.312  -2.504
  117    HB2  LYS  15           HB2      LYS  15  -1.385  -7.607  -1.966
  118    HB3  LYS  15           HB1      LYS  15  -0.545  -9.146  -1.986
  119    HG2  LYS  15           HG2      LYS  15  -0.905  -9.373  -4.355
  120    HG3  LYS  15           HG1      LYS  15  -1.925  -7.934  -4.377
  121    HD2  LYS  15           HD2      LYS  15  -0.025  -6.569  -3.683
  122    HD3  LYS  15           HD1      LYS  15   1.019  -7.976  -3.655
  123    HE2  LYS  15           HE2      LYS  15  -0.413  -6.887  -6.072
  124    HE3  LYS  15           HE1      LYS  15   1.283  -6.618  -5.692
  125    HZ1  LYS  15           HZ1      LYS  15   1.654  -9.034  -5.932
  126    HZ2  LYS  15           HZ2      LYS  15   1.024  -8.344  -7.324
  127    HZ3  LYS  15           HZ3      LYS  15   0.029  -9.254  -6.334
  128    HA   PRO  16           HA       PRO  16  -4.039  -9.396   1.826
  129    HB2  PRO  16           HB2      PRO  16  -5.557 -11.802   1.924
  130    HB3  PRO  16           HB1      PRO  16  -6.171 -10.152   1.806
  131    HG2  PRO  16           HG2      PRO  16  -6.421 -12.048  -0.195
  132    HG3  PRO  16           HG1      PRO  16  -6.482 -10.298  -0.446
  133    HD2  PRO  16           HD2      PRO  16  -4.175 -12.172  -0.828
  134    HD3  PRO  16           HD1      PRO  16  -4.722 -10.826  -1.859
  135    H    GLN  17           H        GLN  17  -2.489  -9.874   3.245
  136    HA   GLN  17           HA       GLN  17  -1.093 -10.924   4.619
  137    HB2  GLN  17           HB2      GLN  17  -2.715 -13.382   3.925
  138    HB3  GLN  17           HB1      GLN  17  -1.559 -13.283   5.242
  139    HG2  GLN  17           HG2      GLN  17  -4.062 -11.614   5.006
  140    HG3  GLN  17           HG1      GLN  17  -3.903 -13.079   5.969
  141   HE21  GLN  17          1HE2      GLN  17  -3.108  -9.726   5.723
  142   HE22  GLN  17          2HE2      GLN  17  -2.500  -9.541   7.322
  143    H    GLY  18           H        GLY  18   0.343 -13.040   4.699
  144    HA2  GLY  18           HA2      GLY  18   1.541 -14.661   3.305
  145    HA3  GLY  18           HA1      GLY  18   1.479 -13.466   2.012
  146    H    GLY  19           H        GLY  19   2.965 -11.891   1.923
  147    HA2  GLY  19           HA2      GLY  19   4.466 -10.938   4.058
  148    HA3  GLY  19           HA1      GLY  19   5.376 -12.237   3.301
  149    H    GLU  20           H        GLU  20   6.077 -12.010   1.199
  150    HA   GLU  20           HA       GLU  20   7.294  -9.589   0.687
  151    HB2  GLU  20           HB2      GLU  20   6.835 -11.924  -1.130
  152    HB3  GLU  20           HB1      GLU  20   7.889 -10.569  -1.517
  153    HG2  GLU  20           HG2      GLU  20   8.192 -12.401   0.850
  154    HG3  GLU  20           HG1      GLU  20   9.137 -12.462  -0.639
  155    H    GLU  21           H        GLU  21   4.406 -10.860  -0.918
  156    HA   GLU  21           HA       GLU  21   4.292  -8.737  -2.789
  157    HB2  GLU  21           HB2      GLU  21   2.248 -10.728  -1.872
  158    HB3  GLU  21           HB1      GLU  21   1.903  -9.546  -3.119
  159    HG2  GLU  21           HG2      GLU  21   4.078 -11.610  -3.215
  160    HG3  GLU  21           HG1      GLU  21   2.531 -11.684  -4.068
  161    H    GLN  22           H        GLN  22   2.974  -9.204   0.367
  162    HA   GLN  22           HA       GLN  22   1.294  -6.903   0.342
  163    HB2  GLN  22           HB2      GLN  22   0.944  -8.815   1.867
  164    HB3  GLN  22           HB1      GLN  22   2.461  -8.439   2.669
  165    HG2  GLN  22           HG2      GLN  22   1.559  -6.303   3.392
  166    HG3  GLN  22           HG1      GLN  22   0.041  -6.659   2.570
  167   HE21  GLN  22          1HE2      GLN  22   2.059  -7.363   5.242
  168   HE22  GLN  22          2HE2      GLN  22   0.926  -8.281   6.159
  169    H    ARG  23           H        ARG  23   4.553  -7.640   1.401
  170    HA   ARG  23           HA       ARG  23   5.257  -5.171   2.533
  171    HB2  ARG  23           HB2      ARG  23   7.012  -7.148   1.063
  172    HB3  ARG  23           HB1      ARG  23   7.613  -5.813   2.023
  173    HG2  ARG  23           HG2      ARG  23   6.588  -6.810   4.019
  174    HG3  ARG  23           HG1      ARG  23   6.031  -8.164   3.034
  175    HD2  ARG  23           HD2      ARG  23   8.073  -8.791   4.164
  176    HD3  ARG  23           HD1      ARG  23   8.380  -8.650   2.435
  177    HE   ARG  23           HE       ARG  23   8.940  -6.336   4.093
  178   HH11  ARG  23          HH11      ARG  23  10.286  -9.111   2.276
  179   HH12  ARG  23          HH12      ARG  23  11.879  -8.519   2.333
  180   HH21  ARG  23          HH21      ARG  23  11.164  -5.585   4.163
  181   HH22  ARG  23          HH22      ARG  23  12.392  -6.475   3.413
  182    H    ARG  24           H        ARG  24   5.485  -6.361  -0.800
  183    HA   ARG  24           HA       ARG  24   6.686  -4.060  -1.825
  184    HB2  ARG  24           HB2      ARG  24   4.923  -6.038  -3.262
  185    HB3  ARG  24           HB1      ARG  24   5.775  -4.733  -4.065
  186    HG2  ARG  24           HG2      ARG  24   7.897  -5.758  -3.046
  187    HG3  ARG  24           HG1      ARG  24   6.891  -7.179  -2.747
  188    HD2  ARG  24           HD2      ARG  24   7.414  -5.864  -5.412
  189    HD3  ARG  24           HD1      ARG  24   8.051  -7.407  -4.874
  190    HE   ARG  24           HE       ARG  24   5.757  -8.259  -4.916
  191   HH11  ARG  24          HH11      ARG  24   6.375  -5.253  -6.746
  192   HH12  ARG  24          HH12      ARG  24   5.120  -5.520  -7.846
  193   HH21  ARG  24          HH21      ARG  24   4.062  -8.595  -6.434
  194   HH22  ARG  24          HH22      ARG  24   3.798  -7.455  -7.685
  195    H    CYS  25           H        CYS  25   3.271  -4.864  -1.473
  196    HA   CYS  25           HA       CYS  25   2.354  -2.481  -2.659
  197    HB2  CYS  25           HB2      CYS  25   1.094  -4.562  -0.982
  198    HB3  CYS  25           HB1      CYS  25   0.295  -2.994  -1.039
  199    H    GLN  26           H        GLN  26   3.334  -3.202   0.610
  200    HA   GLN  26           HA       GLN  26   2.388  -0.857   1.827
  201    HB2  GLN  26           HB2      GLN  26   3.251  -2.876   3.019
  202    HB3  GLN  26           HB1      GLN  26   4.870  -2.450   2.492
  203    HG2  GLN  26           HG2      GLN  26   4.694  -0.341   3.738
  204    HG3  GLN  26           HG1      GLN  26   3.102  -0.834   4.311
  205   HE21  GLN  26          1HE2      GLN  26   2.951  -2.581   5.744
  206   HE22  GLN  26          2HE2      GLN  26   4.303  -3.093   6.674
  207    H    GLN  27           H        GLN  27   5.532  -1.710   0.453
  208    HA   GLN  27           HA       GLN  27   6.824   0.760   0.687
  209    HB2  GLN  27           HB2      GLN  27   7.913  -1.419   0.142
  210    HB3  GLN  27           HB1      GLN  27   7.194  -1.345  -1.457
  211    HG2  GLN  27           HG2      GLN  27   9.490  -0.664  -1.591
  212    HG3  GLN  27           HG1      GLN  27   8.458   0.735  -1.885
  213   HE21  GLN  27          1HE2      GLN  27  10.661  -0.767   0.319
  214   HE22  GLN  27          2HE2      GLN  27  10.934   0.613   1.305
  215    H    GLU  28           H        GLU  28   5.033  -0.644  -2.032
  216    HA   GLU  28           HA       GLU  28   5.230   1.344  -3.923
  217    HB2  GLU  28           HB2      GLU  28   3.236  -0.759  -3.346
  218    HB3  GLU  28           HB1      GLU  28   2.787   0.500  -4.484
  219    HG2  GLU  28           HG2      GLU  28   5.227  -1.231  -4.698
  220    HG3  GLU  28           HG1      GLU  28   3.712  -1.482  -5.574
  221    H    CYS  29           H        CYS  29   2.756   1.002  -1.436
  222    HA   CYS  29           HA       CYS  29   1.280   3.224  -2.337
  223    HB2  CYS  29           HB2      CYS  29   0.510   1.235  -0.890
  224    HB3  CYS  29           HB1      CYS  29   1.172   2.140   0.466
  225    H    GLU  30           H        GLU  30   3.896   2.851   0.004
  226    HA   GLU  30           HA       GLU  30   3.643   5.437   1.124
  227    HB2  GLU  30           HB2      GLU  30   6.014   3.564   1.051
  228    HB3  GLU  30           HB1      GLU  30   5.972   5.060   1.968
  229    HG2  GLU  30           HG2      GLU  30   4.189   2.673   2.372
  230    HG3  GLU  30           HG1      GLU  30   5.550   3.141   3.383
  231    H    GLU  31           H        GLU  31   5.515   4.125  -1.564
  232    HA   GLU  31           HA       GLU  31   6.837   6.615  -2.104
  233    HB2  GLU  31           HB2      GLU  31   6.476   4.212  -3.898
  234    HB3  GLU  31           HB1      GLU  31   7.529   5.572  -4.233
  235    HG2  GLU  31           HG2      GLU  31   8.814   4.988  -2.177
  236    HG3  GLU  31           HG1      GLU  31   7.811   3.542  -2.030
  237    H    ARG  32           H        ARG  32   3.778   5.386  -2.766
  238    HA   ARG  32           HA       ARG  32   3.349   6.915  -5.177
  239    HB2  ARG  32           HB2      ARG  32   2.377   4.636  -4.736
  240    HB3  ARG  32           HB1      ARG  32   1.338   5.390  -3.552
  241    HG2  ARG  32           HG2      ARG  32   0.241   6.683  -5.222
  242    HG3  ARG  32           HG1      ARG  32   1.386   6.151  -6.460
  243    HD2  ARG  32           HD2      ARG  32  -0.579   4.434  -4.949
  244    HD3  ARG  32           HD1      ARG  32  -0.669   4.889  -6.651
  245    HE   ARG  32           HE       ARG  32   1.698   3.669  -6.577
  246   HH11  ARG  32          HH11      ARG  32  -1.467   2.639  -5.373
  247   HH12  ARG  32          HH12      ARG  32  -1.099   0.984  -5.412
  248   HH21  ARG  32          HH21      ARG  32   2.195   1.344  -6.670
  249   HH22  ARG  32          HH22      ARG  32   0.990   0.254  -6.173
  250    H    LEU  33           H        LEU  33   1.908   6.886  -1.899
  251    HA   LEU  33           HA       LEU  33   0.694   9.435  -2.510
  252    HB2  LEU  33           HB2      LEU  33   0.460   7.645  -0.099
  253    HB3  LEU  33           HB1      LEU  33  -0.224   9.252  -0.133
  254    HG   LEU  33           HG       LEU  33  -1.967   7.695  -0.543
  255   HD11  LEU  33          HD11      LEU  33  -2.832   8.398  -2.693
  256   HD12  LEU  33          HD12      LEU  33  -1.248   9.021  -3.136
  257   HD13  LEU  33          HD13      LEU  33  -2.133   9.740  -1.789
  258   HD21  LEU  33          HD21      LEU  33  -0.682   5.774  -1.310
  259   HD22  LEU  33          HD22      LEU  33  -0.335   6.601  -2.829
  260   HD23  LEU  33          HD23      LEU  33  -1.990   6.137  -2.437
  261    H    ARG  34           H        ARG  34   3.303   8.225  -0.545
  262    HA   ARG  34           HA       ARG  34   5.023   9.187   0.464
  263    HB2  ARG  34           HB2      ARG  34   4.399  11.429  -1.438
  264    HB3  ARG  34           HB1      ARG  34   5.812  11.420  -0.394
  265    HG2  ARG  34           HG2      ARG  34   6.612   9.397  -1.448
  266    HG3  ARG  34           HG1      ARG  34   5.161   9.323  -2.447
  267    HD2  ARG  34           HD2      ARG  34   5.756  11.400  -3.519
  268    HD3  ARG  34           HD1      ARG  34   7.169  11.572  -2.472
  269    HE   ARG  34           HE       ARG  34   7.584   9.193  -3.594
  270   HH11  ARG  34          HH11      ARG  34   6.735  12.285  -5.087
  271   HH12  ARG  34          HH12      ARG  34   7.583  12.003  -6.526
  272   HH21  ARG  34          HH21      ARG  34   8.768   8.794  -5.514
  273   HH22  ARG  34          HH22      ARG  34   8.788   9.930  -6.786
  274    H    ASP  35           H        ASP  35   4.382   9.272   2.507
  275    HA   ASP  35           HA       ASP  35   3.691  11.937   3.446
  276    HB2  ASP  35           HB2      ASP  35   1.718  10.462   3.724
  277    HB3  ASP  35           HB1      ASP  35   2.708   9.349   4.666
  Start of MODEL   18
    1    H    PCA   1           H        PGL   1  -4.691  10.778   3.290
    2    HA   PCA   1           HA       PGL   1  -4.178   8.701   4.605
    3    HB2  PCA   1           HB1      PGL   1  -4.862   8.802   6.780
    4    HB3  PCA   1           HB2      PGL   1  -6.566   8.827   6.246
    5    HG2  PCA   1           HG1      PGL   1  -4.838  11.079   7.082
    6    HG3  PCA   1           HG2      PGL   1  -6.621  11.026   6.890
    7    H    LYS   2           H        LYS   2  -6.636  10.039   2.852
    8    HA   LYS   2           HA       LYS   2  -8.353   7.745   2.765
    9    HB2  LYS   2           HB2      LYS   2  -8.373  10.344   1.253
   10    HB3  LYS   2           HB1      LYS   2  -9.533   9.056   0.983
   11    HG2  LYS   2           HG2      LYS   2  -9.111  10.536   3.575
   12    HG3  LYS   2           HG1      LYS   2 -10.445  10.778   2.445
   13    HD2  LYS   2           HD2      LYS   2 -11.119   8.423   2.787
   14    HD3  LYS   2           HD1      LYS   2  -9.834   8.247   3.977
   15    HE2  LYS   2           HE2      LYS   2 -10.863  10.022   5.325
   16    HE3  LYS   2           HE1      LYS   2 -12.161  10.139   4.146
   17    HZ1  LYS   2           HZ1      LYS   2 -12.757   7.846   4.616
   18    HZ2  LYS   2           HZ2      LYS   2 -12.776   8.761   6.038
   19    HZ3  LYS   2           HZ3      LYS   2 -11.491   7.724   5.724
   20    H    GLU   3           H        GLU   3  -5.761   9.050   0.838
   21    HA   GLU   3           HA       GLU   3  -6.385   7.221  -1.281
   22    HB2  GLU   3           HB2      GLU   3  -3.910   8.904  -0.897
   23    HB3  GLU   3           HB1      GLU   3  -4.310   7.996  -2.350
   24    HG2  GLU   3           HG2      GLU   3  -6.371   9.322  -2.582
   25    HG3  GLU   3           HG1      GLU   3  -5.878  10.281  -1.193
   26    H    THR   4           H        THR   4  -4.490   7.265   1.475
   27    HA   THR   4           HA       THR   4  -2.955   4.929   0.961
   28    HB   THR   4           HB       THR   4  -3.813   6.026   3.621
   29    HG1  THR   4           HG1      THR   4  -1.784   7.196   3.440
   30   HG21  THR   4          HG21      THR   4  -2.692   3.840   3.705
   31   HG22  THR   4          HG22      THR   4  -1.665   5.092   4.403
   32   HG23  THR   4          HG23      THR   4  -1.343   4.493   2.775
   33    H    GLU   5           H        GLU   5  -6.110   5.658   2.281
   34    HA   GLU   5           HA       GLU   5  -6.891   3.154   3.252
   35    HB2  GLU   5           HB2      GLU   5  -8.086   5.264   3.689
   36    HB3  GLU   5           HB1      GLU   5  -8.503   5.386   1.992
   37    HG2  GLU   5           HG2      GLU   5 -10.404   4.663   3.253
   38    HG3  GLU   5           HG1      GLU   5  -9.855   3.358   2.203
   39    H    ILE   6           H        ILE   6  -7.443   4.710   0.105
   40    HA   ILE   6           HA       ILE   6  -8.673   2.604  -1.281
   41    HB   ILE   6           HB       ILE   6  -6.715   4.597  -2.445
   42   HG12  ILE   6          HG12      ILE   6  -9.706   4.898  -2.191
   43   HG13  ILE   6          HG11      ILE   6  -8.547   5.652  -1.098
   44   HG21  ILE   6          HG21      ILE   6  -7.270   2.789  -3.980
   45   HG22  ILE   6          HG22      ILE   6  -8.003   4.300  -4.522
   46   HG23  ILE   6          HG23      ILE   6  -8.991   3.080  -3.726
   47   HD11  ILE   6          HD11      ILE   6  -8.822   6.133  -4.046
   48   HD12  ILE   6          HD12      ILE   6  -7.542   6.774  -3.024
   49   HD13  ILE   6          HD13      ILE   6  -9.219   7.254  -2.730
   50    H    CYS   7           H        CYS   7  -5.318   3.567  -1.144
   51    HA   CYS   7           HA       CYS   7  -4.151   1.628  -2.705
   52    HB2  CYS   7           HB2      CYS   7  -2.964   3.605  -2.020
   53    HB3  CYS   7           HB1      CYS   7  -3.054   3.126  -0.333
   54    H    ARG   8           H        ARG   8  -4.653   1.460   0.862
   55    HA   ARG   8           HA       ARG   8  -3.575  -1.158   0.953
   56    HB2  ARG   8           HB2      ARG   8  -3.500   0.114   2.987
   57    HB3  ARG   8           HB1      ARG   8  -5.239   0.358   2.967
   58    HG2  ARG   8           HG2      ARG   8  -4.638  -1.296   4.653
   59    HG3  ARG   8           HG1      ARG   8  -5.581  -2.034   3.362
   60    HD2  ARG   8           HD2      ARG   8  -3.439  -2.860   2.359
   61    HD3  ARG   8           HD1      ARG   8  -2.591  -2.243   3.780
   62    HE   ARG   8           HE       ARG   8  -4.793  -4.094   4.216
   63   HH11  ARG   8          HH11      ARG   8  -1.262  -3.725   4.043
   64   HH12  ARG   8          HH12      ARG   8  -0.956  -5.131   4.973
   65   HH21  ARG   8          HH21      ARG   8  -4.295  -6.045   5.470
   66   HH22  ARG   8          HH22      ARG   8  -2.672  -6.450   5.764
   67    H    GLN   9           H        GLN   9  -6.880   0.064   0.646
   68    HA   GLN   9           HA       GLN   9  -8.179  -2.389   0.900
   69    HB2  GLN   9           HB2      GLN   9  -8.919   0.069  -0.656
   70    HB3  GLN   9           HB1      GLN   9  -9.953  -1.350  -0.612
   71    HG2  GLN   9           HG2      GLN   9 -10.100  -1.169   1.813
   72    HG3  GLN   9           HG1      GLN   9  -9.056   0.249   1.767
   73   HE21  GLN   9          1HE2      GLN   9 -10.636   1.455   2.726
   74   HE22  GLN   9          2HE2      GLN   9 -12.040   2.007   1.901
   75    H    TRP  10           H        TRP  10  -6.638  -0.948  -1.892
   76    HA   TRP  10           HA       TRP  10  -7.450  -2.783  -3.849
   77    HB2  TRP  10           HB2      TRP  10  -6.204  -0.638  -4.291
   78    HB3  TRP  10           HB1      TRP  10  -4.749  -1.406  -3.667
   79    HD1  TRP  10           HD       TRP  10  -7.037  -1.338  -6.698
   80    HE1  TRP  10           HE1      TRP  10  -5.915  -2.572  -8.645
   81    HE3  TRP  10          3HE       TRP  10  -3.013  -3.300  -4.238
   82    HZ2  TRP  10           HZ2      TRP  10  -3.639  -4.162  -9.101
   83    HZ3  TRP  10           HZ3      TRP  10  -1.407  -4.662  -5.509
   84    HH2  TRP  10           HH       TRP  10  -1.716  -5.082  -7.891
   85    H    CYS  11           H        CYS  11  -4.498  -2.744  -1.873
   86    HA   CYS  11           HA       CYS  11  -3.654  -5.274  -2.763
   87    HB2  CYS  11           HB2      CYS  11  -2.791  -3.599  -0.435
   88    HB3  CYS  11           HB1      CYS  11  -2.057  -5.153  -0.831
   89    H    GLN  12           H        GLN  12  -5.600  -4.322  -0.010
   90    HA   GLN  12           HA       GLN  12  -5.500  -6.660   1.457
   91    HB2  GLN  12           HB2      GLN  12  -6.518  -4.670   2.343
   92    HB3  GLN  12           HB1      GLN  12  -7.752  -4.683   1.097
   93    HG2  GLN  12           HG2      GLN  12  -8.644  -5.427   3.239
   94    HG3  GLN  12           HG1      GLN  12  -8.708  -6.714   2.038
   95   HE21  GLN  12          1HE2      GLN  12  -7.225  -5.603   4.948
   96   HE22  GLN  12          2HE2      GLN  12  -6.512  -7.095   5.408
   97    H    VAL  13           H        VAL  13  -7.657  -5.749  -1.233
   98    HA   VAL  13           HA       VAL  13  -8.953  -8.311  -1.092
   99    HB   VAL  13           HB       VAL  13 -10.314  -6.330  -1.656
  100   HG11  VAL  13          HG11      VAL  13 -10.212  -5.281  -3.857
  101   HG12  VAL  13          HG12      VAL  13  -8.762  -6.216  -4.228
  102   HG13  VAL  13          3HG1      VAL  13  -8.734  -5.026  -2.927
  103   HG21  VAL  13          HG21      VAL  13 -11.546  -7.267  -3.574
  104   HG22  VAL  13          HG22      VAL  13 -11.142  -8.483  -2.363
  105   HG23  VAL  13          HG23      VAL  13 -10.211  -8.384  -3.857
  106    H    MET  14           H        MET  14  -6.533  -6.777  -3.071
  107    HA   MET  14           HA       MET  14  -6.527  -8.700  -5.160
  108    HB2  MET  14           HB2      MET  14  -5.618  -6.376  -5.328
  109    HB3  MET  14           HB1      MET  14  -4.281  -6.873  -4.305
  110    HG2  MET  14           HG2      MET  14  -3.609  -6.865  -6.616
  111    HG3  MET  14           HG1      MET  14  -3.620  -8.519  -5.999
  112    HE1  MET  14           HE1      MET  14  -3.584  -7.699  -9.125
  113    HE2  MET  14           HE2      MET  14  -4.711  -8.894  -9.764
  114    HE3  MET  14          3HE       MET  14  -3.523  -9.365  -8.547
  115    H    LYS  15           H        LYS  15  -4.482  -8.259  -2.269
  116    HA   LYS  15           HA       LYS  15  -3.594 -11.025  -2.576
  117    HB2  LYS  15           HB2      LYS  15  -1.941  -8.626  -1.778
  118    HB3  LYS  15           HB1      LYS  15  -1.427 -10.279  -1.514
  119    HG2  LYS  15           HG2      LYS  15  -1.957  -8.999  -4.193
  120    HG3  LYS  15           HG1      LYS  15  -0.375  -9.301  -3.472
  121    HD2  LYS  15           HD2      LYS  15  -0.934 -11.732  -3.433
  122    HD3  LYS  15           HD1      LYS  15  -2.411 -11.360  -4.321
  123    HE2  LYS  15           HE2      LYS  15   0.427 -10.903  -5.256
  124    HE3  LYS  15           HE1      LYS  15  -0.696 -12.126  -5.838
  125    HZ1  LYS  15           HZ1      LYS  15  -2.129 -10.309  -6.637
  126    HZ2  LYS  15           HZ2      LYS  15  -0.616 -10.307  -7.363
  127    HZ3  LYS  15           HZ3      LYS  15  -0.946  -9.186  -6.175
  128    HA   PRO  16           HA       PRO  16  -5.564 -10.705   1.526
  129    HB2  PRO  16           HB2      PRO  16  -5.492 -13.651   1.206
  130    HB3  PRO  16           HB1      PRO  16  -6.860 -12.614   1.615
  131    HG2  PRO  16           HG2      PRO  16  -6.698 -13.742  -0.784
  132    HG3  PRO  16           HG1      PRO  16  -7.288 -12.079  -0.599
  133    HD2  PRO  16           HD2      PRO  16  -4.576 -13.032  -1.448
  134    HD3  PRO  16           HD1      PRO  16  -5.585 -11.737  -2.143
  135    H    GLN  17           H        GLN  17  -4.575 -10.954   3.445
  136    HA   GLN  17           HA       GLN  17  -3.035 -11.325   5.052
  137    HB2  GLN  17           HB2      GLN  17  -1.799 -13.403   3.224
  138    HB3  GLN  17           HB1      GLN  17  -1.329 -13.120   4.888
  139    HG2  GLN  17           HG2      GLN  17  -3.596 -13.785   5.591
  140    HG3  GLN  17           HG1      GLN  17  -3.969 -14.159   3.909
  141   HE21  GLN  17          1HE2      GLN  17  -4.278 -16.318   4.255
  142   HE22  GLN  17          2HE2      GLN  17  -3.012 -17.400   4.690
  143    H    GLY  18           H        GLY  18  -1.505 -11.438   1.892
  144    HA2  GLY  18           HA2      GLY  18  -0.293  -9.568   1.031
  145    HA3  GLY  18           HA1      GLY  18   0.077  -9.110   2.685
  146    H    GLY  19           H        GLY  19   1.503 -10.469   3.845
  147    HA2  GLY  19           HA2      GLY  19   3.483 -11.618   4.155
  148    HA3  GLY  19           HA1      GLY  19   3.114 -12.475   2.663
  149    H    GLU  20           H        GLU  20   4.603 -12.276   1.194
  150    HA   GLU  20           HA       GLU  20   6.664 -10.334   1.262
  151    HB2  GLU  20           HB2      GLU  20   5.761 -12.158  -0.971
  152    HB3  GLU  20           HB1      GLU  20   7.269 -11.252  -0.939
  153    HG2  GLU  20           HG2      GLU  20   8.035 -12.511   0.963
  154    HG3  GLU  20           HG1      GLU  20   6.493 -13.356   1.058
  155    H    GLU  21           H        GLU  21   3.620 -10.645  -0.367
  156    HA   GLU  21           HA       GLU  21   4.015  -8.375  -2.023
  157    HB2  GLU  21           HB2      GLU  21   1.480  -9.869  -1.351
  158    HB3  GLU  21           HB1      GLU  21   1.620  -8.618  -2.582
  159    HG2  GLU  21           HG2      GLU  21   3.054 -11.267  -2.564
  160    HG3  GLU  21           HG1      GLU  21   1.696 -10.822  -3.593
  161    H    GLN  22           H        GLN  22   3.100  -8.833   1.222
  162    HA   GLN  22           HA       GLN  22   1.708  -6.367   1.642
  163    HB2  GLN  22           HB2      GLN  22   1.756  -8.298   3.314
  164    HB3  GLN  22           HB1      GLN  22   3.430  -7.923   3.611
  165    HG2  GLN  22           HG2      GLN  22   1.194  -5.975   4.166
  166    HG3  GLN  22           HG1      GLN  22   1.765  -7.145   5.342
  167   HE21  GLN  22          1HE2      GLN  22   1.724  -4.252   5.471
  168   HE22  GLN  22          2HE2      GLN  22   3.349  -3.746   5.716
  169    H    ARG  23           H        ARG  23   5.025  -7.456   1.870
  170    HA   ARG  23           HA       ARG  23   6.208  -5.020   2.596
  171    HB2  ARG  23           HB2      ARG  23   7.444  -7.187   0.876
  172    HB3  ARG  23           HB1      ARG  23   8.312  -5.936   1.744
  173    HG2  ARG  23           HG2      ARG  23   6.805  -8.264   2.903
  174    HG3  ARG  23           HG1      ARG  23   8.539  -7.956   2.960
  175    HD2  ARG  23           HD2      ARG  23   6.364  -6.390   4.336
  176    HD3  ARG  23           HD1      ARG  23   7.552  -7.438   5.095
  177    HE   ARG  23           HE       ARG  23   9.239  -5.801   4.204
  178   HH11  ARG  23          HH11      ARG  23   5.930  -4.834   5.058
  179   HH12  ARG  23          HH12      ARG  23   6.367  -3.244   5.492
  180   HH21  ARG  23          HH21      ARG  23   9.814  -3.577   4.787
  181   HH22  ARG  23          HH22      ARG  23   8.622  -2.495   5.318
  182    H    ARG  24           H        ARG  24   5.736  -6.484  -0.559
  183    HA   ARG  24           HA       ARG  24   6.699  -4.450  -2.191
  184    HB2  ARG  24           HB2      ARG  24   6.092  -6.724  -2.969
  185    HB3  ARG  24           HB1      ARG  24   4.403  -6.334  -2.719
  186    HG2  ARG  24           HG2      ARG  24   4.520  -4.632  -4.460
  187    HG3  ARG  24           HG1      ARG  24   6.232  -4.997  -4.705
  188    HD2  ARG  24           HD2      ARG  24   5.676  -7.280  -5.325
  189    HD3  ARG  24           HD1      ARG  24   3.970  -6.962  -5.029
  190    HE   ARG  24           HE       ARG  24   5.171  -5.210  -6.951
  191   HH11  ARG  24          HH11      ARG  24   3.573  -8.358  -6.498
  192   HH12  ARG  24          HH12      ARG  24   3.030  -8.439  -8.114
  193   HH21  ARG  24          HH21      ARG  24   4.410  -5.394  -9.200
  194   HH22  ARG  24          HH22      ARG  24   3.499  -6.771  -9.642
  195    H    CYS  25           H        CYS  25   3.303  -5.056  -1.267
  196    HA   CYS  25           HA       CYS  25   2.245  -2.794  -2.437
  197    HB2  CYS  25           HB2      CYS  25   1.301  -4.605  -0.293
  198    HB3  CYS  25           HB1      CYS  25   0.445  -3.095  -0.592
  199    H    GLN  26           H        GLN  26   3.432  -3.166   0.890
  200    HA   GLN  26           HA       GLN  26   2.562  -0.636   1.737
  201    HB2  GLN  26           HB2      GLN  26   3.256  -2.465   3.257
  202    HB3  GLN  26           HB1      GLN  26   4.913  -2.263   2.716
  203    HG2  GLN  26           HG2      GLN  26   4.889   0.031   3.602
  204    HG3  GLN  26           HG1      GLN  26   3.257  -0.253   4.210
  205   HE21  GLN  26          1HE2      GLN  26   2.955  -1.625   5.979
  206   HE22  GLN  26          2HE2      GLN  26   4.289  -2.098   6.967
  207    H    GLN  27           H        GLN  27   5.542  -1.765   0.243
  208    HA   GLN  27           HA       GLN  27   6.993   0.632   0.406
  209    HB2  GLN  27           HB2      GLN  27   7.987  -1.581  -0.046
  210    HB3  GLN  27           HB1      GLN  27   7.185  -1.612  -1.601
  211    HG2  GLN  27           HG2      GLN  27   9.562  -1.032  -1.774
  212    HG3  GLN  27           HG1      GLN  27   8.500   0.242  -2.374
  213   HE21  GLN  27          1HE2      GLN  27   8.363   2.158  -1.258
  214   HE22  GLN  27          2HE2      GLN  27   9.490   2.625  -0.058
  215    H    GLU  28           H        GLU  28   4.930  -0.712  -2.131
  216    HA   GLU  28           HA       GLU  28   5.269   1.474  -3.923
  217    HB2  GLU  28           HB2      GLU  28   2.971  -0.476  -3.782
  218    HB3  GLU  28           HB1      GLU  28   3.416   0.514  -5.163
  219    HG2  GLU  28           HG2      GLU  28   5.017  -1.742  -3.985
  220    HG3  GLU  28           HG1      GLU  28   4.068  -1.789  -5.464
  221    H    CYS  29           H        CYS  29   3.148   0.786  -1.279
  222    HA   CYS  29           HA       CYS  29   1.126   2.669  -1.855
  223    HB2  CYS  29           HB2      CYS  29   1.201   0.622  -0.193
  224    HB3  CYS  29           HB1      CYS  29   1.751   1.844   0.946
  225    H    GLU  30           H        GLU  30   3.949   2.772   0.340
  226    HA   GLU  30           HA       GLU  30   3.476   5.453   1.086
  227    HB2  GLU  30           HB2      GLU  30   5.846   5.388   1.948
  228    HB3  GLU  30           HB1      GLU  30   4.801   4.121   2.560
  229    HG2  GLU  30           HG2      GLU  30   5.780   2.564   0.928
  230    HG3  GLU  30           HG1      GLU  30   6.864   3.839   0.392
  231    H    GLU  31           H        GLU  31   5.090   4.003  -1.589
  232    HA   GLU  31           HA       GLU  31   6.405   6.279  -2.636
  233    HB2  GLU  31           HB2      GLU  31   6.846   3.973  -3.379
  234    HB3  GLU  31           HB1      GLU  31   5.220   3.874  -4.026
  235    HG2  GLU  31           HG2      GLU  31   5.796   5.728  -5.569
  236    HG3  GLU  31           HG1      GLU  31   7.461   5.612  -4.996
  237    H    ARG  32           H        ARG  32   3.223   4.850  -3.200
  238    HA   ARG  32           HA       ARG  32   2.246   6.703  -5.082
  239    HB2  ARG  32           HB2      ARG  32   1.292   4.452  -4.654
  240    HB3  ARG  32           HB1      ARG  32   0.712   5.011  -3.096
  241    HG2  ARG  32           HG2      ARG  32  -1.102   4.970  -4.690
  242    HG3  ARG  32           HG1      ARG  32  -0.733   6.638  -4.243
  243    HD2  ARG  32           HD2      ARG  32  -1.111   6.407  -6.660
  244    HD3  ARG  32           HD1      ARG  32   0.532   6.931  -6.295
  245    HE   ARG  32           HE       ARG  32   0.371   4.115  -6.513
  246   HH11  ARG  32          HH11      ARG  32   0.515   7.046  -8.468
  247   HH12  ARG  32          HH12      ARG  32   1.179   6.300  -9.838
  248   HH21  ARG  32          HH21      ARG  32   1.280   3.054  -8.396
  249   HH22  ARG  32          HH22      ARG  32   1.684   3.953  -9.777
  250    H    LEU  33           H        LEU  33   2.233   6.583  -1.610
  251    HA   LEU  33           HA       LEU  33   0.544   8.809  -1.199
  252    HB2  LEU  33           HB2      LEU  33   1.014   7.066   0.501
  253    HB3  LEU  33           HB1      LEU  33   2.655   7.660   0.626
  254    HG   LEU  33           HG       LEU  33   1.805   9.806   1.484
  255   HD11  LEU  33          HD11      LEU  33  -0.878   8.444   1.354
  256   HD12  LEU  33          HD12      LEU  33  -0.366   9.846   0.411
  257   HD13  LEU  33          HD13      LEU  33  -0.552   9.976   2.156
  258   HD21  LEU  33          HD21      LEU  33   2.446   8.037   3.041
  259   HD22  LEU  33          HD22      LEU  33   0.808   7.384   2.984
  260   HD23  LEU  33          HD23      LEU  33   1.099   8.980   3.676
  261    H    ARG  34           H        ARG  34   3.934   8.441  -1.847
  262    HA   ARG  34           HA       ARG  34   4.736  11.074  -1.067
  263    HB2  ARG  34           HB2      ARG  34   6.289   9.121  -1.244
  264    HB3  ARG  34           HB1      ARG  34   6.065   9.150  -2.979
  265    HG2  ARG  34           HG2      ARG  34   8.128  10.198  -2.613
  266    HG3  ARG  34           HG1      ARG  34   6.996  11.512  -2.914
  267    HD2  ARG  34           HD2      ARG  34   7.782  10.586  -0.157
  268    HD3  ARG  34           HD1      ARG  34   8.638  11.863  -1.011
  269    HE   ARG  34           HE       ARG  34   6.196  12.831  -1.037
  270   HH11  ARG  34          HH11      ARG  34   7.862  11.224   1.690
  271   HH12  ARG  34          HH12      ARG  34   7.109  12.198   2.870
  272   HH21  ARG  34          HH21      ARG  34   5.222  14.175   0.653
  273   HH22  ARG  34          HH22      ARG  34   5.624  13.880   2.283
  274    H    ASP  35           H        ASP  35   4.280   9.536  -4.184
  275    HA   ASP  35           HA       ASP  35   3.748  12.217  -5.282
  276    HB2  ASP  35           HB2      ASP  35   4.998   9.894  -6.764
  277    HB3  ASP  35           HB1      ASP  35   4.500  11.396  -7.513
  Start of MODEL   19
    1    H    PCA   1           H        PGL   1  -6.007  11.737   2.508
    2    HA   PCA   1           HA       PGL   1  -4.317   9.828   2.927
    3    HB2  PCA   1           HB1      PGL   1  -3.835   9.507   5.127
    4    HB3  PCA   1           HB2      PGL   1  -5.540   9.092   5.448
    5    HG2  PCA   1           HG1      PGL   1  -4.140  11.597   5.989
    6    HG3  PCA   1           HG2      PGL   1  -5.805  11.101   6.449
    7    H    LYS   2           H        LYS   2  -7.423  10.442   2.555
    8    HA   LYS   2           HA       LYS   2  -8.711   7.959   3.010
    9    HB2  LYS   2           HB2      LYS   2  -9.418  10.176   1.097
   10    HB3  LYS   2           HB1      LYS   2 -10.496   8.903   1.648
   11    HG2  LYS   2           HG2      LYS   2 -10.447   9.740   3.892
   12    HG3  LYS   2           HG1      LYS   2  -9.208  10.921   3.468
   13    HD2  LYS   2           HD2      LYS   2 -10.788  11.965   1.899
   14    HD3  LYS   2           HD1      LYS   2 -12.031  10.828   2.413
   15    HE2  LYS   2           HE2      LYS   2 -12.292  12.955   3.551
   16    HE3  LYS   2           HE1      LYS   2 -11.864  11.681   4.691
   17    HZ1  LYS   2           HZ1      LYS   2  -9.935  13.648   3.556
   18    HZ2  LYS   2           HZ2      LYS   2  -9.602  12.504   4.744
   19    HZ3  LYS   2           HZ3      LYS   2 -10.656  13.765   5.070
   20    H    GLU   3           H        GLU   3  -6.994   9.372   0.306
   21    HA   GLU   3           HA       GLU   3  -7.691   7.344  -1.532
   22    HB2  GLU   3           HB2      GLU   3  -5.456   9.360  -1.569
   23    HB3  GLU   3           HB1      GLU   3  -5.798   8.276  -2.908
   24    HG2  GLU   3           HG2      GLU   3  -8.064   9.252  -3.063
   25    HG3  GLU   3           HG1      GLU   3  -7.634  10.379  -1.781
   26    H    THR   4           H        THR   4  -5.348   7.637   0.854
   27    HA   THR   4           HA       THR   4  -3.637   5.515  -0.014
   28    HB   THR   4           HB       THR   4  -3.962   6.609   2.759
   29    HG1  THR   4           HG1      THR   4  -2.834   7.670   0.433
   30   HG21  THR   4          HG21      THR   4  -2.555   4.600   2.575
   31   HG22  THR   4          HG22      THR   4  -1.575   6.008   2.987
   32   HG23  THR   4          HG23      THR   4  -1.585   5.392   1.333
   33    H    GLU   5           H        GLU   5  -6.486   5.870   1.972
   34    HA   GLU   5           HA       GLU   5  -6.552   3.290   3.099
   35    HB2  GLU   5           HB2      GLU   5  -8.791   5.215   2.447
   36    HB3  GLU   5           HB1      GLU   5  -8.979   3.763   3.418
   37    HG2  GLU   5           HG2      GLU   5  -7.178   6.072   4.101
   38    HG3  GLU   5           HG1      GLU   5  -8.790   5.808   4.765
   39    H    ILE   6           H        ILE   6  -7.913   4.669   0.139
   40    HA   ILE   6           HA       ILE   6  -9.200   2.369  -0.893
   41    HB   ILE   6           HB       ILE   6  -7.739   4.446  -2.546
   42   HG12  ILE   6          HG12      ILE   6 -10.609   4.584  -1.611
   43   HG13  ILE   6          HG11      ILE   6  -9.290   5.478  -0.858
   44   HG21  ILE   6          HG21      ILE   6  -9.416   3.910  -4.261
   45   HG22  ILE   6          HG22      ILE   6 -10.159   2.745  -3.172
   46   HG23  ILE   6          HG23      ILE   6  -8.536   2.457  -3.779
   47   HD11  ILE   6          HD11      ILE   6  -8.848   6.554  -3.000
   48   HD12  ILE   6          HD12      ILE   6 -10.461   6.912  -2.371
   49   HD13  ILE   6          HD13      ILE   6 -10.253   5.744  -3.688
   50    H    CYS   7           H        CYS   7  -6.012   3.693  -1.363
   51    HA   CYS   7           HA       CYS   7  -4.854   1.809  -3.020
   52    HB2  CYS   7           HB2      CYS   7  -3.849   3.994  -2.418
   53    HB3  CYS   7           HB1      CYS   7  -3.544   3.398  -0.800
   54    H    ARG   8           H        ARG   8  -4.981   1.761   0.564
   55    HA   ARG   8           HA       ARG   8  -3.717  -0.762   0.790
   56    HB2  ARG   8           HB2      ARG   8  -3.758   0.677   2.728
   57    HB3  ARG   8           HB1      ARG   8  -5.513   0.739   2.709
   58    HG2  ARG   8           HG2      ARG   8  -4.733  -0.707   4.504
   59    HG3  ARG   8           HG1      ARG   8  -5.606  -1.644   3.297
   60    HD2  ARG   8           HD2      ARG   8  -3.418  -2.338   2.329
   61    HD3  ARG   8           HD1      ARG   8  -2.608  -1.472   3.636
   62    HE   ARG   8           HE       ARG   8  -4.549  -3.540   4.328
   63   HH11  ARG   8          HH11      ARG   8  -1.104  -2.679   4.040
   64   HH12  ARG   8          HH12      ARG   8  -0.596  -3.840   5.162
   65   HH21  ARG   8          HH21      ARG   8  -3.790  -5.126   5.933
   66   HH22  ARG   8          HH22      ARG   8  -2.128  -5.255   6.250
   67    H    GLN   9           H        GLN   9  -7.086   0.234   0.581
   68    HA   GLN   9           HA       GLN   9  -8.333  -2.193   1.073
   69    HB2  GLN   9           HB2      GLN   9  -9.569  -0.136   0.990
   70    HB3  GLN   9           HB1      GLN   9  -9.171   0.089  -0.704
   71    HG2  GLN   9           HG2      GLN   9 -10.514  -1.840  -1.293
   72    HG3  GLN   9           HG1      GLN   9 -10.877  -2.125   0.408
   73   HE21  GLN   9          1HE2      GLN   9 -12.278  -0.755   1.474
   74   HE22  GLN   9          2HE2      GLN   9 -13.342   0.301   0.622
   75    H    TRP  10           H        TRP  10  -7.072  -0.912  -1.941
   76    HA   TRP  10           HA       TRP  10  -7.990  -2.934  -3.655
   77    HB2  TRP  10           HB2      TRP  10  -7.014  -0.762  -4.388
   78    HB3  TRP  10           HB1      TRP  10  -5.430  -1.352  -3.895
   79    HD1  TRP  10           HD       TRP  10  -8.188  -2.074  -6.441
   80    HE1  TRP  10           HE1      TRP  10  -7.127  -3.299  -8.462
   81    HE3  TRP  10          3HE       TRP  10  -3.545  -2.645  -4.609
   82    HZ2  TRP  10           HZ2      TRP  10  -4.593  -4.354  -9.167
   83    HZ3  TRP  10           HZ3      TRP  10  -1.802  -3.763  -5.995
   84    HH2  TRP  10           HH       TRP  10  -2.337  -4.599  -8.229
   85    H    CYS  11           H        CYS  11  -4.894  -2.654  -1.977
   86    HA   CYS  11           HA       CYS  11  -4.011  -5.217  -2.774
   87    HB2  CYS  11           HB2      CYS  11  -3.104  -3.343  -0.620
   88    HB3  CYS  11           HB1      CYS  11  -2.318  -4.889  -0.936
   89    H    GLN  12           H        GLN  12  -5.850  -4.072  -0.080
   90    HA   GLN  12           HA       GLN  12  -5.728  -6.117   1.741
   91    HB2  GLN  12           HB2      GLN  12  -6.895  -4.039   2.140
   92    HB3  GLN  12           HB1      GLN  12  -8.064  -4.429   0.890
   93    HG2  GLN  12           HG2      GLN  12  -8.838  -6.325   2.234
   94    HG3  GLN  12           HG1      GLN  12  -7.702  -5.873   3.500
   95   HE21  GLN  12          1HE2      GLN  12  -9.561  -3.638   1.535
   96   HE22  GLN  12          2HE2      GLN  12 -10.518  -3.033   2.834
   97    H    VAL  13           H        VAL  13  -7.838  -5.698  -1.072
   98    HA   VAL  13           HA       VAL  13  -9.092  -8.261  -0.684
   99    HB   VAL  13           HB       VAL  13  -9.418  -6.336  -3.010
  100   HG11  VAL  13          HG11      VAL  13 -10.198  -8.590  -3.509
  101   HG12  VAL  13          HG12      VAL  13 -11.557  -7.473  -3.375
  102   HG13  VAL  13          3HG1      VAL  13 -11.192  -8.581  -2.053
  103   HG21  VAL  13          HG21      VAL  13  -9.989  -5.224  -0.920
  104   HG22  VAL  13          HG22      VAL  13 -11.046  -6.564  -0.478
  105   HG23  VAL  13          HG23      VAL  13 -11.445  -5.546  -1.862
  106    H    MET  14           H        MET  14  -6.556  -6.881  -2.641
  107    HA   MET  14           HA       MET  14  -6.387  -8.860  -4.619
  108    HB2  MET  14           HB2      MET  14  -5.150  -6.727  -4.826
  109    HB3  MET  14           HB1      MET  14  -4.127  -7.206  -3.481
  110    HG2  MET  14           HG2      MET  14  -3.255  -9.075  -4.767
  111    HG3  MET  14           HG1      MET  14  -4.307  -8.657  -6.113
  112    HE1  MET  14           HE1      MET  14  -1.140  -9.105  -6.366
  113    HE2  MET  14           HE2      MET  14  -0.748  -7.797  -7.484
  114    HE3  MET  14          3HE       MET  14  -2.219  -8.742  -7.709
  115    H    LYS  15           H        LYS  15  -4.592  -8.588  -1.541
  116    HA   LYS  15           HA       LYS  15  -4.384 -11.462  -1.544
  117    HB2  LYS  15           HB2      LYS  15  -2.427 -10.772  -2.830
  118    HB3  LYS  15           HB1      LYS  15  -1.937  -9.704  -1.531
  119    HG2  LYS  15           HG2      LYS  15  -0.601 -11.711  -1.475
  120    HG3  LYS  15           HG1      LYS  15  -1.657 -11.618  -0.063
  121    HD2  LYS  15           HD2      LYS  15  -1.560 -13.892  -0.966
  122    HD3  LYS  15           HD1      LYS  15  -3.184 -13.223  -1.076
  123    HE2  LYS  15           HE2      LYS  15  -2.868 -12.759  -3.432
  124    HE3  LYS  15           HE1      LYS  15  -1.187 -13.279  -3.350
  125    HZ1  LYS  15           HZ1      LYS  15  -1.986 -15.507  -2.782
  126    HZ2  LYS  15           HZ2      LYS  15  -2.576 -15.015  -4.265
  127    HZ3  LYS  15           HZ3      LYS  15  -3.577 -14.990  -2.919
  128    HA   PRO  16           HA       PRO  16  -5.029  -9.987   2.722
  129    HB2  PRO  16           HB2      PRO  16  -6.346 -12.594   2.989
  130    HB3  PRO  16           HB1      PRO  16  -7.018 -10.989   3.264
  131    HG2  PRO  16           HG2      PRO  16  -7.778 -12.507   1.173
  132    HG3  PRO  16           HG1      PRO  16  -7.671 -10.740   1.061
  133    HD2  PRO  16           HD2      PRO  16  -5.729 -12.818   0.123
  134    HD3  PRO  16           HD1      PRO  16  -6.296 -11.346  -0.701
  135    H    GLN  17           H        GLN  17  -3.325 -10.281   3.985
  136    HA   GLN  17           HA       GLN  17  -1.720 -11.188   5.276
  137    HB2  GLN  17           HB2      GLN  17  -3.414 -13.644   4.933
  138    HB3  GLN  17           HB1      GLN  17  -1.952 -13.644   5.905
  139    HG2  GLN  17           HG2      GLN  17  -4.338 -11.866   6.346
  140    HG3  GLN  17           HG1      GLN  17  -3.975 -13.337   7.250
  141   HE21  GLN  17          1HE2      GLN  17  -3.149 -10.027   6.750
  142   HE22  GLN  17          2HE2      GLN  17  -2.060  -9.873   8.068
  143    H    GLY  18           H        GLY  18  -1.496 -11.324   2.258
  144    HA2  GLY  18           HA2      GLY  18   0.436 -13.493   2.061
  145    HA3  GLY  18           HA1      GLY  18  -0.116 -12.525   0.695
  146    H    GLY  19           H        GLY  19   2.161 -12.941   3.145
  147    HA2  GLY  19           HA2      GLY  19   3.132 -10.536   3.876
  148    HA3  GLY  19           HA1      GLY  19   4.138 -11.949   3.657
  149    H    GLU  20           H        GLU  20   4.204 -12.214   0.946
  150    HA   GLU  20           HA       GLU  20   6.131 -10.190   0.394
  151    HB2  GLU  20           HB2      GLU  20   6.549 -11.310  -1.740
  152    HB3  GLU  20           HB1      GLU  20   6.537 -12.451  -0.412
  153    HG2  GLU  20           HG2      GLU  20   4.266 -12.027  -2.360
  154    HG3  GLU  20           HG1      GLU  20   5.456 -13.318  -2.465
  155    H    GLU  21           H        GLU  21   2.944 -10.867  -0.887
  156    HA   GLU  21           HA       GLU  21   3.034  -8.889  -2.944
  157    HB2  GLU  21           HB2      GLU  21   1.461 -10.907  -2.710
  158    HB3  GLU  21           HB1      GLU  21   0.551  -9.898  -1.596
  159    HG2  GLU  21           HG2      GLU  21  -0.494  -9.724  -3.711
  160    HG3  GLU  21           HG1      GLU  21   0.359  -8.203  -3.427
  161    H    GLN  22           H        GLN  22   1.818  -9.040   0.309
  162    HA   GLN  22           HA       GLN  22   0.533  -6.529   0.364
  163    HB2  GLN  22           HB2      GLN  22   0.142  -8.610   1.770
  164    HB3  GLN  22           HB1      GLN  22   1.562  -8.147   2.679
  165    HG2  GLN  22           HG2      GLN  22   0.483  -6.145   3.429
  166    HG3  GLN  22           HG1      GLN  22  -0.913  -6.472   2.394
  167   HE21  GLN  22          1HE2      GLN  22  -2.397  -6.668   4.035
  168   HE22  GLN  22          2HE2      GLN  22  -2.346  -7.932   5.194
  169    H    ARG  23           H        ARG  23   3.774  -7.700   1.257
  170    HA   ARG  23           HA       ARG  23   4.677  -5.312   2.428
  171    HB2  ARG  23           HB2      ARG  23   5.754  -7.551   2.659
  172    HB3  ARG  23           HB1      ARG  23   6.293  -7.410   0.992
  173    HG2  ARG  23           HG2      ARG  23   7.516  -5.393   1.571
  174    HG3  ARG  23           HG1      ARG  23   7.016  -5.598   3.254
  175    HD2  ARG  23           HD2      ARG  23   8.127  -7.804   3.269
  176    HD3  ARG  23           HD1      ARG  23   8.691  -7.495   1.625
  177    HE   ARG  23           HE       ARG  23   9.346  -5.639   3.771
  178   HH11  ARG  23          HH11      ARG  23  10.458  -8.045   1.441
  179   HH12  ARG  23          HH12      ARG  23  12.092  -7.627   1.552
  180   HH21  ARG  23          HH21      ARG  23  11.541  -5.068   3.970
  181   HH22  ARG  23          HH22      ARG  23  12.744  -5.868   3.046
  182    H    ARG  24           H        ARG  24   4.749  -6.586  -0.862
  183    HA   ARG  24           HA       ARG  24   6.218  -4.457  -1.981
  184    HB2  ARG  24           HB2      ARG  24   4.203  -6.315  -3.244
  185    HB3  ARG  24           HB1      ARG  24   5.128  -5.126  -4.153
  186    HG2  ARG  24           HG2      ARG  24   6.245  -7.450  -2.591
  187    HG3  ARG  24           HG1      ARG  24   6.137  -7.320  -4.348
  188    HD2  ARG  24           HD2      ARG  24   7.793  -5.573  -2.515
  189    HD3  ARG  24           HD1      ARG  24   8.392  -6.807  -3.609
  190    HE   ARG  24           HE       ARG  24   7.118  -5.265  -5.317
  191   HH11  ARG  24          HH11      ARG  24   9.253  -4.252  -2.642
  192   HH12  ARG  24          HH12      ARG  24   9.870  -2.921  -3.492
  193   HH21  ARG  24          HH21      ARG  24   7.993  -3.378  -6.430
  194   HH22  ARG  24          HH22      ARG  24   9.124  -2.400  -5.644
  195    H    CYS  25           H        CYS  25   2.773  -4.956  -1.558
  196    HA   CYS  25           HA       CYS  25   1.899  -2.552  -2.627
  197    HB2  CYS  25           HB2      CYS  25   0.813  -4.317  -0.476
  198    HB3  CYS  25           HB1      CYS  25   0.023  -2.798  -0.883
  199    H    GLN  26           H        GLN  26   2.947  -3.276   0.687
  200    HA   GLN  26           HA       GLN  26   2.514  -0.827   1.897
  201    HB2  GLN  26           HB2      GLN  26   3.330  -2.905   3.006
  202    HB3  GLN  26           HB1      GLN  26   4.900  -2.645   2.268
  203    HG2  GLN  26           HG2      GLN  26   4.984  -0.447   3.490
  204    HG3  GLN  26           HG1      GLN  26   3.550  -0.980   4.369
  205   HE21  GLN  26          1HE2      GLN  26   6.920  -1.402   3.897
  206   HE22  GLN  26          2HE2      GLN  26   7.201  -2.456   5.241
  207    H    GLN  27           H        GLN  27   5.419  -1.968   0.237
  208    HA   GLN  27           HA       GLN  27   6.912   0.395   0.446
  209    HB2  GLN  27           HB2      GLN  27   7.114  -1.858  -1.544
  210    HB3  GLN  27           HB1      GLN  27   8.301  -0.577  -1.371
  211    HG2  GLN  27           HG2      GLN  27   8.740  -1.290   0.921
  212    HG3  GLN  27           HG1      GLN  27   7.548  -2.579   0.743
  213   HE21  GLN  27          1HE2      GLN  27  10.640  -1.393  -0.285
  214   HE22  GLN  27          2HE2      GLN  27  11.234  -2.887  -0.913
  215    H    GLU  28           H        GLU  28   4.984  -0.843  -2.292
  216    HA   GLU  28           HA       GLU  28   5.644   1.367  -3.935
  217    HB2  GLU  28           HB2      GLU  28   3.428  -0.643  -4.239
  218    HB3  GLU  28           HB1      GLU  28   3.903   0.528  -5.460
  219    HG2  GLU  28           HG2      GLU  28   6.166  -0.494  -5.475
  220    HG3  GLU  28           HG1      GLU  28   5.561  -1.725  -4.369
  221    H    CYS  29           H        CYS  29   2.802   0.660  -1.952
  222    HA   CYS  29           HA       CYS  29   1.257   2.809  -2.902
  223    HB2  CYS  29           HB2      CYS  29   0.335   0.878  -1.642
  224    HB3  CYS  29           HB1      CYS  29   1.135   1.465  -0.194
  225    H    GLU  30           H        GLU  30   3.603   2.565  -0.253
  226    HA   GLU  30           HA       GLU  30   3.120   5.235   0.596
  227    HB2  GLU  30           HB2      GLU  30   5.310   3.279   1.266
  228    HB3  GLU  30           HB1      GLU  30   5.193   4.893   1.959
  229    HG2  GLU  30           HG2      GLU  30   3.042   4.360   2.929
  230    HG3  GLU  30           HG1      GLU  30   3.078   2.768   2.177
  231    H    GLU  31           H        GLU  31   5.389   3.703  -1.594
  232    HA   GLU  31           HA       GLU  31   7.084   5.946  -1.939
  233    HB2  GLU  31           HB2      GLU  31   7.641   3.604  -2.611
  234    HB3  GLU  31           HB1      GLU  31   6.473   3.741  -3.914
  235    HG2  GLU  31           HG2      GLU  31   7.790   5.593  -4.859
  236    HG3  GLU  31           HG1      GLU  31   8.982   5.360  -3.583
  237    H    ARG  32           H        ARG  32   4.179   4.820  -3.525
  238    HA   ARG  32           HA       ARG  32   4.031   6.767  -5.553
  239    HB2  ARG  32           HB2      ARG  32   2.731   4.630  -5.452
  240    HB3  ARG  32           HB1      ARG  32   1.767   5.333  -4.171
  241    HG2  ARG  32           HG2      ARG  32   0.490   5.550  -6.130
  242    HG3  ARG  32           HG1      ARG  32   1.145   7.150  -5.784
  243    HD2  ARG  32           HD2      ARG  32   2.346   5.204  -7.762
  244    HD3  ARG  32           HD1      ARG  32   1.245   6.501  -8.201
  245    HE   ARG  32           HE       ARG  32   3.123   7.897  -7.019
  246   HH11  ARG  32          HH11      ARG  32   3.569   5.145  -9.226
  247   HH12  ARG  32          HH12      ARG  32   4.981   5.747  -9.940
  248   HH21  ARG  32          HH21      ARG  32   5.093   8.724  -8.002
  249   HH22  ARG  32          HH22      ARG  32   5.873   7.849  -9.226
  250    H    LEU  33           H        LEU  33   2.985   6.625  -2.256
  251    HA   LEU  33           HA       LEU  33   1.335   8.952  -2.275
  252    HB2  LEU  33           HB2      LEU  33   0.977   7.126  -0.735
  253    HB3  LEU  33           HB1      LEU  33   2.569   7.354  -0.056
  254    HG   LEU  33           HG       LEU  33   1.847   9.557   0.813
  255   HD11  LEU  33          HD11      LEU  33  -0.855   8.686  -0.179
  256   HD12  LEU  33          HD12      LEU  33   0.089  10.054  -0.778
  257   HD13  LEU  33          HD13      LEU  33  -0.539  10.064   0.870
  258   HD21  LEU  33          HD21      LEU  33   0.165   7.199   1.645
  259   HD22  LEU  33          HD22      LEU  33   0.461   8.647   2.607
  260   HD23  LEU  33          HD23      LEU  33   1.794   7.565   2.212
  261    H    ARG  34           H        ARG  34   4.605   8.268  -1.048
  262    HA   ARG  34           HA       ARG  34   4.849  11.089  -0.360
  263    HB2  ARG  34           HB2      ARG  34   5.234   9.516   1.437
  264    HB3  ARG  34           HB1      ARG  34   6.467   8.697   0.505
  265    HG2  ARG  34           HG2      ARG  34   7.826  10.746   0.539
  266    HG3  ARG  34           HG1      ARG  34   6.580  11.523   1.520
  267    HD2  ARG  34           HD2      ARG  34   6.900   9.817   3.251
  268    HD3  ARG  34           HD1      ARG  34   8.175   9.081   2.280
  269    HE   ARG  34           HE       ARG  34   8.993  11.621   2.513
  270   HH11  ARG  34          HH11      ARG  34   7.999   9.216   4.905
  271   HH12  ARG  34          HH12      ARG  34   8.920   9.867   6.174
  272   HH21  ARG  34          HH21      ARG  34  10.270  12.532   4.271
  273   HH22  ARG  34          HH22      ARG  34  10.252  11.778   5.796
  274    H    ASP  35           H        ASP  35   5.766  12.320  -1.816
  275    HA   ASP  35           HA       ASP  35   8.150  11.312  -3.174
  276    HB2  ASP  35           HB2      ASP  35   6.346  11.588  -4.827
  277    HB3  ASP  35           HB1      ASP  35   6.081  13.241  -4.275
  Start of MODEL   20
    1    H    PCA   1           H        PGL   1  -5.980  11.234   2.386
    2    HA   PCA   1           HA       PGL   1  -5.268   9.203   3.692
    3    HB2  PCA   1           HB1      PGL   1  -6.086   9.235   5.831
    4    HB3  PCA   1           HB2      PGL   1  -7.709   8.867   5.186
    5    HG2  PCA   1           HG1      PGL   1  -6.620  11.452   6.103
    6    HG3  PCA   1           HG2      PGL   1  -8.319  10.994   5.743
    7    H    LYS   2           H        LYS   2  -7.728  10.151   1.785
    8    HA   LYS   2           HA       LYS   2  -9.360   7.845   1.553
    9    HB2  LYS   2           HB2      LYS   2  -8.831  10.001  -0.494
   10    HB3  LYS   2           HB1      LYS   2 -10.193   8.898  -0.452
   11    HG2  LYS   2           HG2      LYS   2 -11.019   9.923   1.567
   12    HG3  LYS   2           HG1      LYS   2  -9.607  10.981   1.633
   13    HD2  LYS   2           HD2      LYS   2 -10.251  11.971  -0.500
   14    HD3  LYS   2           HD1      LYS   2 -11.663  10.914  -0.571
   15    HE2  LYS   2           HE2      LYS   2 -12.509  11.925   1.488
   16    HE3  LYS   2           HE1      LYS   2 -11.092  12.970   1.551
   17    HZ1  LYS   2           HZ1      LYS   2 -13.108  12.967  -0.630
   18    HZ2  LYS   2           HZ2      LYS   2 -11.753  13.967  -0.522
   19    HZ3  LYS   2           HZ3      LYS   2 -12.986  14.117   0.607
   20    H    GLU   3           H        GLU   3  -6.724   9.189  -0.347
   21    HA   GLU   3           HA       GLU   3  -6.568   7.141  -2.275
   22    HB2  GLU   3           HB2      GLU   3  -4.426   9.038  -1.336
   23    HB3  GLU   3           HB1      GLU   3  -4.335   8.046  -2.781
   24    HG2  GLU   3           HG2      GLU   3  -6.240   9.232  -3.722
   25    HG3  GLU   3           HG1      GLU   3  -6.339  10.229  -2.271
   26    H    THR   4           H        THR   4  -5.080   7.640   0.725
   27    HA   THR   4           HA       THR   4  -3.139   5.623   0.765
   28    HB   THR   4           HB       THR   4  -4.589   6.414   3.217
   29    HG1  THR   4           HG1      THR   4  -2.918   8.363   2.056
   30   HG21  THR   4          HG21      THR   4  -2.291   6.826   3.996
   31   HG22  THR   4          HG22      THR   4  -1.683   6.547   2.367
   32   HG23  THR   4          HG23      THR   4  -2.412   5.223   3.273
   33    H    GLU   5           H        GLU   5  -6.478   5.817   1.939
   34    HA   GLU   5           HA       GLU   5  -6.687   3.244   2.983
   35    HB2  GLU   5           HB2      GLU   5  -8.161   5.051   3.625
   36    HB3  GLU   5           HB1      GLU   5  -8.793   5.151   1.991
   37    HG2  GLU   5           HG2      GLU   5  -9.810   2.995   2.200
   38    HG3  GLU   5           HG1      GLU   5  -9.053   2.764   3.777
   39    H    ILE   6           H        ILE   6  -7.822   4.539  -0.151
   40    HA   ILE   6           HA       ILE   6  -8.808   2.050  -0.995
   41    HB   ILE   6           HB       ILE   6  -8.842   2.963  -3.317
   42   HG12  ILE   6          HG12      ILE   6  -7.651   5.407  -1.993
   43   HG13  ILE   6          HG11      ILE   6  -6.858   4.404  -3.198
   44   HG21  ILE   6          HG21      ILE   6 -10.001   4.705  -1.156
   45   HG22  ILE   6          HG22      ILE   6 -10.728   3.253  -1.845
   46   HG23  ILE   6          HG23      ILE   6 -10.520   4.694  -2.840
   47   HD11  ILE   6          HD11      ILE   6  -8.513   5.094  -4.853
   48   HD12  ILE   6          HD12      ILE   6  -7.683   6.482  -4.149
   49   HD13  ILE   6          HD13      ILE   6  -9.319   6.078  -3.634
   50    H    CYS   7           H        CYS   7  -5.628   3.496  -1.465
   51    HA   CYS   7           HA       CYS   7  -4.580   1.474  -3.148
   52    HB2  CYS   7           HB2      CYS   7  -3.403   3.597  -2.848
   53    HB3  CYS   7           HB1      CYS   7  -3.234   3.304  -1.127
   54    H    ARG   8           H        ARG   8  -5.017   1.623   0.338
   55    HA   ARG   8           HA       ARG   8  -3.641  -0.808   0.808
   56    HB2  ARG   8           HB2      ARG   8  -3.966   0.707   2.668
   57    HB3  ARG   8           HB1      ARG   8  -5.714   0.631   2.483
   58    HG2  ARG   8           HG2      ARG   8  -4.983  -0.714   4.378
   59    HG3  ARG   8           HG1      ARG   8  -5.675  -1.741   3.120
   60    HD2  ARG   8           HD2      ARG   8  -3.371  -2.238   2.341
   61    HD3  ARG   8           HD1      ARG   8  -2.749  -1.294   3.693
   62    HE   ARG   8           HE       ARG   8  -4.380  -3.733   4.016
   63   HH11  ARG   8          HH11      ARG   8  -1.629  -1.705   5.010
   64   HH12  ARG   8          HH12      ARG   8  -1.126  -2.765   6.230
   65   HH21  ARG   8          HH21      ARG   8  -3.665  -5.175   5.670
   66   HH22  ARG   8          HH22      ARG   8  -2.293  -4.774   6.620
   67    H    GLN   9           H        GLN   9  -7.068   0.044   0.426
   68    HA   GLN   9           HA       GLN   9  -8.225  -2.464   0.781
   69    HB2  GLN   9           HB2      GLN   9  -9.089  -0.315  -1.145
   70    HB3  GLN   9           HB1      GLN   9 -10.071  -1.690  -0.670
   71    HG2  GLN   9           HG2      GLN   9 -10.038  -0.880   1.646
   72    HG3  GLN   9           HG1      GLN   9  -9.100   0.519   1.125
   73   HE21  GLN   9          1HE2      GLN   9 -10.650   0.641  -1.441
   74   HE22  GLN   9          2HE2      GLN   9 -12.138   1.367  -0.996
   75    H    TRP  10           H        TRP  10  -6.967  -1.026  -2.182
   76    HA   TRP  10           HA       TRP  10  -7.544  -3.004  -3.983
   77    HB2  TRP  10           HB2      TRP  10  -5.426  -0.953  -3.769
   78    HB3  TRP  10           HB1      TRP  10  -5.182  -2.140  -5.020
   79    HD1  TRP  10           HD       TRP  10  -7.042   1.000  -4.234
   80    HE1  TRP  10           HE1      TRP  10  -8.606   1.640  -6.198
   81    HE3  TRP  10          3HE       TRP  10  -6.783  -3.332  -6.913
   82    HZ2  TRP  10           HZ2      TRP  10  -9.580   0.457  -8.552
   83    HZ3  TRP  10           HZ3      TRP  10  -8.058  -3.504  -9.011
   84    HH2  TRP  10           HH       TRP  10  -9.427  -1.648  -9.811
   85    H    CYS  11           H        CYS  11  -4.669  -2.820  -1.939
   86    HA   CYS  11           HA       CYS  11  -3.774  -5.392  -2.819
   87    HB2  CYS  11           HB2      CYS  11  -2.759  -3.449  -0.787
   88    HB3  CYS  11           HB1      CYS  11  -2.061  -5.059  -0.953
   89    H    GLN  12           H        GLN  12  -5.750  -4.235  -0.261
   90    HA   GLN  12           HA       GLN  12  -5.419  -6.400   1.537
   91    HB2  GLN  12           HB2      GLN  12  -6.369  -4.106   2.066
   92    HB3  GLN  12           HB1      GLN  12  -7.846  -4.622   1.264
   93    HG2  GLN  12           HG2      GLN  12  -8.080  -4.861   3.651
   94    HG3  GLN  12           HG1      GLN  12  -8.066  -6.450   2.886
   95   HE21  GLN  12          1HE2      GLN  12  -7.433  -7.420   4.816
   96   HE22  GLN  12          2HE2      GLN  12  -5.807  -7.294   5.405
   97    H    VAL  13           H        VAL  13  -7.519  -5.725  -1.181
   98    HA   VAL  13           HA       VAL  13  -9.037  -8.154  -0.857
   99    HB   VAL  13           HB       VAL  13  -8.892  -6.256  -3.233
  100   HG11  VAL  13          HG11      VAL  13 -10.922  -8.405  -2.605
  101   HG12  VAL  13          HG12      VAL  13  -9.717  -8.461  -3.890
  102   HG13  VAL  13          3HG1      VAL  13 -11.011  -7.265  -3.949
  103   HG21  VAL  13          HG21      VAL  13 -11.035  -5.375  -2.400
  104   HG22  VAL  13          HG22      VAL  13  -9.716  -5.125  -1.256
  105   HG23  VAL  13          HG23      VAL  13 -10.890  -6.410  -0.978
  106    H    MET  14           H        MET  14  -6.294  -7.022  -2.648
  107    HA   MET  14           HA       MET  14  -5.947  -9.073  -4.530
  108    HB2  MET  14           HB2      MET  14  -4.744  -6.916  -4.552
  109    HB3  MET  14           HB1      MET  14  -3.887  -7.406  -3.102
  110    HG2  MET  14           HG2      MET  14  -2.858  -9.246  -4.362
  111    HG3  MET  14           HG1      MET  14  -3.675  -8.660  -5.813
  112    HE1  MET  14           HE1      MET  14   0.062  -7.667  -6.427
  113    HE2  MET  14           HE2      MET  14  -1.337  -8.519  -7.080
  114    HE3  MET  14          3HE       MET  14  -0.539  -9.118  -5.625
  115    H    LYS  15           H        LYS  15  -4.370  -8.640  -1.356
  116    HA   LYS  15           HA       LYS  15  -4.313 -11.496  -0.964
  117    HB2  LYS  15           HB2      LYS  15  -1.795  -9.804  -1.006
  118    HB3  LYS  15           HB1      LYS  15  -1.881 -11.367  -0.221
  119    HG2  LYS  15           HG2      LYS  15  -2.317 -10.877  -3.171
  120    HG3  LYS  15           HG1      LYS  15  -0.823 -11.471  -2.445
  121    HD2  LYS  15           HD2      LYS  15  -2.098 -13.421  -1.567
  122    HD3  LYS  15           HD1      LYS  15  -3.517 -12.833  -2.426
  123    HE2  LYS  15           HE2      LYS  15  -0.899 -13.568  -3.718
  124    HE3  LYS  15           HE1      LYS  15  -2.301 -14.622  -3.634
  125    HZ1  LYS  15           HZ1      LYS  15  -2.171 -13.525  -5.765
  126    HZ2  LYS  15           HZ2      LYS  15  -2.141 -12.016  -5.087
  127    HZ3  LYS  15           HZ3      LYS  15  -3.537 -12.959  -4.970
  128    HA   PRO  16           HA       PRO  16  -5.428  -9.127   2.778
  129    HB2  PRO  16           HB2      PRO  16  -7.059 -11.087   3.778
  130    HB3  PRO  16           HB1      PRO  16  -7.607  -9.823   2.673
  131    HG2  PRO  16           HG2      PRO  16  -6.913 -12.665   2.104
  132    HG3  PRO  16           HG1      PRO  16  -8.195 -11.663   1.407
  133    HD2  PRO  16           HD2      PRO  16  -5.859 -12.215   0.137
  134    HD3  PRO  16           HD1      PRO  16  -6.783 -10.724  -0.140
  135    H    GLN  17           H        GLN  17  -3.924  -9.167   4.277
  136    HA   GLN  17           HA       GLN  17  -2.442  -9.827   5.862
  137    HB2  GLN  17           HB2      GLN  17  -4.092 -12.366   5.851
  138    HB3  GLN  17           HB1      GLN  17  -2.866 -11.977   7.052
  139    HG2  GLN  17           HG2      GLN  17  -4.143 -10.091   7.813
  140    HG3  GLN  17           HG1      GLN  17  -5.313 -10.322   6.517
  141   HE21  GLN  17          1HE2      GLN  17  -6.982 -10.525   7.956
  142   HE22  GLN  17          2HE2      GLN  17  -7.221 -11.940   8.910
  143    H    GLY  18           H        GLY  18  -1.862 -10.162   3.126
  144    HA2  GLY  18           HA2      GLY  18  -0.554 -12.665   2.694
  145    HA3  GLY  18           HA1      GLY  18  -0.466 -11.245   1.659
  146    H    GLY  19           H        GLY  19   1.717 -12.724   1.984
  147    HA2  GLY  19           HA2      GLY  19   3.331 -11.419   4.033
  148    HA3  GLY  19           HA1      GLY  19   3.755 -12.873   3.139
  149    H    GLU  20           H        GLU  20   4.569 -12.751   1.152
  150    HA   GLU  20           HA       GLU  20   6.441 -10.812   0.552
  151    HB2  GLU  20           HB2      GLU  20   5.056 -12.449  -1.576
  152    HB3  GLU  20           HB1      GLU  20   6.663 -11.767  -1.647
  153    HG2  GLU  20           HG2      GLU  20   6.959 -14.069  -1.342
  154    HG3  GLU  20           HG1      GLU  20   7.253 -13.364   0.245
  155    H    GLU  21           H        GLU  21   3.253 -11.240  -0.861
  156    HA   GLU  21           HA       GLU  21   3.480  -9.098  -2.687
  157    HB2  GLU  21           HB2      GLU  21   0.973 -10.426  -1.690
  158    HB3  GLU  21           HB1      GLU  21   1.146  -9.487  -3.167
  159    HG2  GLU  21           HG2      GLU  21   2.502 -12.102  -2.561
  160    HG3  GLU  21           HG1      GLU  21   1.120 -11.877  -3.627
  161    H    GLN  22           H        GLN  22   2.191  -9.323   0.571
  162    HA   GLN  22           HA       GLN  22   0.978  -6.736   0.375
  163    HB2  GLN  22           HB2      GLN  22   0.008  -8.385   1.898
  164    HB3  GLN  22           HB1      GLN  22   1.497  -8.419   2.832
  165    HG2  GLN  22           HG2      GLN  22   1.182  -6.072   3.423
  166    HG3  GLN  22           HG1      GLN  22  -0.305  -6.036   2.487
  167   HE21  GLN  22          1HE2      GLN  22   0.244  -5.590   5.304
  168   HE22  GLN  22          2HE2      GLN  22  -0.783  -6.658   6.180
  169    H    ARG  23           H        ARG  23   4.013  -8.030   1.652
  170    HA   ARG  23           HA       ARG  23   5.019  -5.686   2.799
  171    HB2  ARG  23           HB2      ARG  23   5.934  -8.096   2.891
  172    HB3  ARG  23           HB1      ARG  23   6.613  -7.790   1.307
  173    HG2  ARG  23           HG2      ARG  23   7.262  -6.160   3.733
  174    HG3  ARG  23           HG1      ARG  23   8.166  -7.598   3.258
  175    HD2  ARG  23           HD2      ARG  23   8.774  -6.494   1.139
  176    HD3  ARG  23           HD1      ARG  23   7.846  -5.072   1.614
  177    HE   ARG  23           HE       ARG  23   9.586  -5.477   3.654
  178   HH11  ARG  23          HH11      ARG  23   9.986  -4.846   0.160
  179   HH12  ARG  23          HH12      ARG  23  11.509  -4.122   0.337
  180   HH21  ARG  23          HH21      ARG  23  11.716  -4.450   3.843
  181   HH22  ARG  23          HH22      ARG  23  12.499  -3.884   2.459
  182    H    ARG  24           H        ARG  24   5.179  -7.028  -0.429
  183    HA   ARG  24           HA       ARG  24   6.561  -5.041  -1.803
  184    HB2  ARG  24           HB2      ARG  24   5.933  -7.213  -2.764
  185    HB3  ARG  24           HB1      ARG  24   4.247  -6.743  -2.742
  186    HG2  ARG  24           HG2      ARG  24   5.162  -6.595  -4.974
  187    HG3  ARG  24           HG1      ARG  24   4.707  -4.998  -4.385
  188    HD2  ARG  24           HD2      ARG  24   6.863  -4.966  -5.556
  189    HD3  ARG  24           HD1      ARG  24   7.023  -4.505  -3.862
  190    HE   ARG  24           HE       ARG  24   7.485  -7.180  -3.883
  191   HH11  ARG  24          HH11      ARG  24   8.961  -4.400  -5.524
  192   HH12  ARG  24          HH12      ARG  24  10.493  -5.130  -5.663
  193   HH21  ARG  24          HH21      ARG  24   9.611  -8.136  -4.032
  194   HH22  ARG  24          HH22      ARG  24  10.871  -7.298  -4.794
  195    H    CYS  25           H        CYS  25   3.057  -5.413  -1.346
  196    HA   CYS  25           HA       CYS  25   2.234  -3.079  -2.535
  197    HB2  CYS  25           HB2      CYS  25   1.025  -4.802  -0.439
  198    HB3  CYS  25           HB1      CYS  25   0.267  -3.270  -0.854
  199    H    GLN  26           H        GLN  26   3.298  -3.497   0.825
  200    HA   GLN  26           HA       GLN  26   2.607  -0.940   1.724
  201    HB2  GLN  26           HB2      GLN  26   3.389  -2.744   3.218
  202    HB3  GLN  26           HB1      GLN  26   4.993  -2.628   2.509
  203    HG2  GLN  26           HG2      GLN  26   5.141  -0.300   3.302
  204    HG3  GLN  26           HG1      GLN  26   3.581  -0.500   4.096
  205   HE21  GLN  26          1HE2      GLN  26   3.447  -1.834   5.882
  206   HE22  GLN  26          2HE2      GLN  26   4.819  -2.321   6.787
  207    H    GLN  27           H        GLN  27   5.646  -2.148   0.389
  208    HA   GLN  27           HA       GLN  27   7.038   0.284   0.449
  209    HB2  GLN  27           HB2      GLN  27   7.459  -2.142  -1.283
  210    HB3  GLN  27           HB1      GLN  27   8.601  -0.813  -1.140
  211    HG2  GLN  27           HG2      GLN  27   7.708  -2.631   1.090
  212    HG3  GLN  27           HG1      GLN  27   9.255  -2.700   0.249
  213   HE21  GLN  27          1HE2      GLN  27   7.362  -1.034   2.619
  214   HE22  GLN  27          2HE2      GLN  27   8.616  -0.007   3.188
  215    H    GLU  28           H        GLU  28   5.190  -1.243  -2.150
  216    HA   GLU  28           HA       GLU  28   5.712   0.769  -4.054
  217    HB2  GLU  28           HB2      GLU  28   3.421  -1.157  -3.840
  218    HB3  GLU  28           HB1      GLU  28   3.665  -0.086  -5.204
  219    HG2  GLU  28           HG2      GLU  28   5.881  -1.187  -5.554
  220    HG3  GLU  28           HG1      GLU  28   5.424  -2.350  -4.304
  221    H    CYS  29           H        CYS  29   3.086   0.371  -1.709
  222    HA   CYS  29           HA       CYS  29   1.536   2.486  -2.758
  223    HB2  CYS  29           HB2      CYS  29   0.701   0.584  -1.292
  224    HB3  CYS  29           HB1      CYS  29   1.415   1.430   0.071
  225    H    GLU  30           H        GLU  30   3.842   2.312  -0.014
  226    HA   GLU  30           HA       GLU  30   3.414   5.005   0.672
  227    HB2  GLU  30           HB2      GLU  30   5.754   3.228   1.346
  228    HB3  GLU  30           HB1      GLU  30   5.497   4.834   2.010
  229    HG2  GLU  30           HG2      GLU  30   3.261   3.954   2.837
  230    HG3  GLU  30           HG1      GLU  30   3.888   2.350   2.459
  231    H    GLU  31           H        GLU  31   5.477   3.518  -1.669
  232    HA   GLU  31           HA       GLU  31   7.134   5.823  -2.028
  233    HB2  GLU  31           HB2      GLU  31   7.796   3.491  -2.633
  234    HB3  GLU  31           HB1      GLU  31   6.626   3.537  -3.938
  235    HG2  GLU  31           HG2      GLU  31   7.862   5.349  -4.997
  236    HG3  GLU  31           HG1      GLU  31   9.026   5.336  -3.673
  237    H    ARG  32           H        ARG  32   4.142   4.659  -3.366
  238    HA   ARG  32           HA       ARG  32   4.087   6.489  -5.567
  239    HB2  ARG  32           HB2      ARG  32   2.954   4.311  -5.702
  240    HB3  ARG  32           HB1      ARG  32   1.878   4.784  -4.403
  241    HG2  ARG  32           HG2      ARG  32   0.775   4.942  -6.570
  242    HG3  ARG  32           HG1      ARG  32   0.927   6.534  -5.823
  243    HD2  ARG  32           HD2      ARG  32   2.829   7.038  -7.231
  244    HD3  ARG  32           HD1      ARG  32   2.775   5.418  -7.930
  245    HE   ARG  32           HE       ARG  32   0.318   6.412  -8.431
  246   HH11  ARG  32          HH11      ARG  32   3.558   7.712  -9.066
  247   HH12  ARG  32          HH12      ARG  32   3.118   8.473 -10.516
  248   HH21  ARG  32          HH21      ARG  32  -0.283   7.477 -10.423
  249   HH22  ARG  32          HH22      ARG  32   0.888   8.342 -11.304
  250    H    LEU  33           H        LEU  33   2.225   6.248  -2.522
  251    HA   LEU  33           HA       LEU  33   1.036   8.812  -3.034
  252    HB2  LEU  33           HB2      LEU  33   0.881   6.983  -0.640
  253    HB3  LEU  33           HB1      LEU  33   0.110   8.549  -0.673
  254    HG   LEU  33           HG       LEU  33  -1.564   6.943  -1.093
  255   HD11  LEU  33          HD11      LEU  33  -2.376   7.484  -3.311
  256   HD12  LEU  33          HD12      LEU  33  -0.814   8.182  -3.717
  257   HD13  LEU  33          HD13      LEU  33  -1.798   8.899  -2.437
  258   HD21  LEU  33          HD21      LEU  33  -0.186   5.038  -1.727
  259   HD22  LEU  33          HD22      LEU  33   0.164   5.794  -3.281
  260   HD23  LEU  33          HD23      LEU  33  -1.481   5.287  -2.897
  261    H    ARG  34           H        ARG  34   3.351   7.551  -0.699
  262    HA   ARG  34           HA       ARG  34   4.876   8.461   0.578
  263    HB2  ARG  34           HB2      ARG  34   5.918   8.932  -1.550
  264    HB3  ARG  34           HB1      ARG  34   5.043  10.451  -1.676
  265    HG2  ARG  34           HG2      ARG  34   6.310  11.410   0.085
  266    HG3  ARG  34           HG1      ARG  34   7.046   9.861   0.493
  267    HD2  ARG  34           HD2      ARG  34   7.383  11.270  -2.153
  268    HD3  ARG  34           HD1      ARG  34   8.529  11.376  -0.817
  269    HE   ARG  34           HE       ARG  34   8.328   8.747  -1.145
  270   HH11  ARG  34          HH11      ARG  34   8.899  11.306  -3.558
  271   HH12  ARG  34          HH12      ARG  34   9.825  10.315  -4.571
  272   HH21  ARG  34          HH21      ARG  34   9.683   7.424  -2.565
  273   HH22  ARG  34          HH22      ARG  34  10.326   8.105  -3.980
  274    H    ASP  35           H        ASP  35   3.535   8.824   2.196
  275    HA   ASP  35           HA       ASP  35   3.247  11.595   3.013
  276    HB2  ASP  35           HB2      ASP  35   1.070  11.152   2.065
  277    HB3  ASP  35           HB1      ASP  35   0.971   9.608   2.899