*HEADER    PLANT PROTEIN                           21-DEC-20   7L53              
*TITLE     SOLUTION NMR STRUCTURE OF THE MONOMERIC FORM OF THE CYCLIC PLANT      
*TITLE    2 PROTEIN PDP-23 IN CD3CN/H2O                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYCLIC PLANT PROTEIN PDP-23;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ZINNIA ELEGANS;                                 
*SOURCE   4 ORGANISM_TAXID: 34245                                                
*KEYWDS    MACROCYCLIC PEPTIDE, HYDROPHOBIC CORE, PLANT PROTEIN                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.D.PAYNE,K.J.ROSENGREN                                               
*REVDAT   1   20-JAN-21 7L53    0                                                
# Restraints file 1: PDP-23_Monomer_restraints.tbl
!Dihedral angle restraints from TALOS-N
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0 -100.8   58.8 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  145.0   20.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -127.5   25.5 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  142.4   28.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -124.6   55.3 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0   55.2   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   39.9   20.3 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0   63.2   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   25.1   29.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0 -121.7   48.7 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  146.6   27.2 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -111.0   52.4 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  147.2   36.7 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  147.0   20.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0   92.2   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   -8.3   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  -73.5   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  140.5   20.7 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0 -128.3   26.3 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  148.3   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 -136.2   39.8 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  151.6   27.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0  -81.4   20.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  120.3   70.0 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0  -87.5   46.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  140.8   29.6 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  141.8   20.7 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -77.1   37.2 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  138.0   27.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  -30.2   25.4 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -75.8   43.8 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  120.9   95.7 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0 -126.2   27.2 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  148.4   21.6 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0 -133.7   36.6 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  150.0   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 -117.7   32.8 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  102.2   52.8 2

!H-Bonds From Temperature Coefficiens and Preliminary Calculations
assign (resid 1    and name HN   ) (resid 26   and name O )    0.00    0.00    2.30
assign (resid 1    and name N    ) (resid 26   and name O )    0.00    0.00    3.30
assign (resid 2    and name HN   ) (resid 9    and name O )    0.00    0.00    2.30
assign (resid 2    and name N    ) (resid 9    and name O )    0.00    0.00    3.30
assign (resid 4    and name HN   ) (resid 7    and name O )    0.00    0.00    2.30
assign (resid 4    and name N    ) (resid 7    and name O )    0.00    0.00    3.30
assign (resid 7    and name HN   ) (resid 4    and name O )    0.00    0.00    2.30
assign (resid 7    and name N    ) (resid 4    and name O )    0.00    0.00    3.30
assign (resid 9    and name HN   ) (resid 2    and name O )    0.00    0.00    2.30
assign (resid 9    and name N    ) (resid 2    and name O )    0.00    0.00    3.30
assign (resid 12   and name HN   ) (resid 26   and name O )    0.00    0.00    2.30
assign (resid 12   and name N    ) (resid 26   and name O )    0.00    0.00    3.30
assign (resid 13   and name HN   ) (resid 10   and name O )    0.00    0.00    2.30
assign (resid 13   and name N    ) (resid 10   and name O )    0.00    0.00    3.30
assign (resid 15   and name HN   ) (resid 24   and name O )    0.00    0.00    2.30
assign (resid 15   and name N    ) (resid 24   and name O )    0.00    0.00    3.30
assign (resid 17   and name HN   ) (resid 22   and name O )    0.00    0.00    2.30
assign (resid 17   and name N    ) (resid 22   and name O )    0.00    0.00    3.30
assign (resid 21   and name HN   ) (resid 18   and name O )    0.00    0.00    2.30
assign (resid 21   and name N    ) (resid 18   and name O )    0.00    0.00    3.30
assign (resid 22   and name HN   ) (resid 18   and name O )    0.00    0.00    2.30
assign (resid 22   and name N    ) (resid 18   and name O )    0.00    0.00    3.30
assign (resid 24   and name HN   ) (resid 15   and name O )    0.00    0.00    2.30
assign (resid 24   and name N    ) (resid 15   and name O )    0.00    0.00    3.30
assign (resid 26   and name HN   ) (resid 13   and name O )    0.00    0.00    2.30
assign (resid 26   and name N    ) (resid 13   and name O )    0.00    0.00    3.30

!Inter-proton Distance Restraints from CYANA 3.98.5
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.825    1.025    1.025  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.825    1.025    1.025  
assign (resid   2 and name  HB2)   (resid  26 and name  HD#)   3.005    1.205    1.205  
assign (resid   2 and name  HB1)   (resid  26 and name  HD#)   3.005    1.205    1.205  
assign (resid   1 and name  HA2)   (resid   2 and name   HN)   2.470    0.670    0.670  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.450    0.650    0.650  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.700    0.900    0.900  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.845    1.045    1.045  
assign (resid   5 and name   HN)   (resid   5 and name   HA)   2.370    0.570    0.570  
assign (resid   4 and name  HD1)   (resid   5 and name  HB2)   3.210    1.410    1.410  
assign (resid   5 and name   HA)   (resid   5 and name  HD2)   2.850    1.050    1.050  
assign (resid   6 and name   HN)   (resid   6 and name   HA)   2.365    0.565    0.565  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.655    0.855    0.855  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.755    0.955    0.955  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.755    0.955    0.955  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.525    1.725    1.725  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.315    0.515    0.515  
assign (resid   3 and name   HA)   (resid   8 and name   HA)   2.290    0.490    0.490  
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   3.120    1.320    1.320  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   3.120    1.320    1.320  
assign (resid   4 and name   HN)   (resid   8 and name   HA)   2.835    1.035    1.035  
assign (resid   9 and name   HN)   (resid   9 and name HG2#)   2.440    0.640    0.640  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.350    0.550    0.550  
assign (resid   3 and name   HA)   (resid   9 and name   HN)   2.905    1.105    1.105  
assign (resid   9 and name   HA)   (resid  10 and name  HD2)   2.415    0.615    0.615  
assign (resid   9 and name   HA)   (resid  10 and name  HD1)   2.285    0.485    0.485  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.510    0.710    0.710  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   2.925    1.125    1.125  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.305    0.505    0.505  
assign (resid  13 and name   HN)   (resid  13 and name   HB)   2.440    0.640    0.640  
assign (resid  13 and name   HN)   (resid  13 and name HG2#)   2.790    0.990    0.990  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.865    1.065    1.065  
assign (resid  13 and name HG2#)   (resid  14 and name   HN)   2.470    0.670    0.670  
assign (resid  13 and name   HB)   (resid  14 and name   HN)   2.655    0.855    0.855  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.260    0.460    0.460  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.615    0.815    0.815  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.395    0.595    0.595  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.650    0.850    0.850  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   3.010    1.210    1.210  
assign (resid  13 and name HG2#)   (resid  15 and name   HN)   3.325    1.525    1.525  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.310    0.510    0.510  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.585    0.785    0.785  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.585    0.785    0.785  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.350    0.550    0.550  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   2.410    0.610    0.610  
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   2.490    0.690    0.690  
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.770    0.970    0.970  
assign (resid  17 and name  HB2)   (resid  22 and name   HN)   2.795    0.995    0.995  
assign (resid  16 and name   HA)   (resid  17 and name  HD#)   3.150    1.350    1.350  
assign (resid  17 and name   HA)   (resid  17 and name  HD#)   2.945    1.145    1.145  
assign (resid  17 and name   HA)   (resid  18 and name  HD1)   2.490    0.690    0.690  
assign (resid  17 and name   HA)   (resid  18 and name  HD2)   2.710    0.910    0.910  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.415    0.615    0.615  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.415    0.615    0.615  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)   2.865    1.065    1.065  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.215    0.415    0.415  
assign (resid  19 and name  HB1)   (resid  19 and name  HE3)   2.925    1.125    1.125  
assign (resid  19 and name  HB2)   (resid  19 and name  HE3)   2.925    1.125    1.125  
assign (resid  19 and name  HB1)   (resid  19 and name  HD1)   2.815    1.015    1.015  
assign (resid  19 and name  HB2)   (resid  19 and name  HD1)   2.815    1.015    1.015  
assign (resid  19 and name   HA)   (resid  19 and name  HE3)   3.045    1.245    1.245  
assign (resid  19 and name   HA)   (resid  19 and name  HD1)   2.910    1.110    1.110  
assign (resid  19 and name   HA)   (resid  20 and name   HA)   2.280    0.480    0.480  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.450    0.650    0.650  
assign (resid  22 and name  HA1)   (resid  23 and name   HN)   2.570    0.770    0.770  
assign (resid  22 and name  HA2)   (resid  23 and name   HN)   2.570    0.770    0.770  
assign (resid  23 and name  HB1)   (resid  23 and name  HD2)   2.785    0.985    0.985  
assign (resid  23 and name  HB2)   (resid  23 and name  HD2)   2.785    0.985    0.985  
assign (resid  23 and name   HA)   (resid  23 and name  HD2)   3.615    1.815    1.815  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.260    0.460    0.460  
assign (resid  24 and name   HN)   (resid  24 and name  HB2)   2.660    0.860    0.860  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.820    1.020    1.020  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.820    1.020    1.020  
assign (resid  24 and name   HA)   (resid  25 and name   HN)   2.320    0.520    0.520  
assign (resid  24 and name  HG2)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name  HB2)   (resid  25 and name   HN)   3.025    1.225    1.225  
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   2.725    0.925    0.925  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.495    0.695    0.695  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   3.055    1.255    1.255  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.055    1.255    1.255  
assign (resid   1 and name   HN)   (resid  26 and name  HB#)   2.580    0.780    0.780  
assign (resid  26 and name   HA)   (resid  26 and name  HD#)   2.560    0.760    0.760  
assign (resid  14 and name   HA)   (resid  26 and name  HD#)   3.105    1.305    1.305  
assign (resid  26 and name   HA)   (resid  26 and name  HB#)   2.375    0.575    0.575  
assign (resid  14 and name   HA)   (resid  25 and name   HA)   2.295    0.495    0.495  
assign (resid  26 and name   HA)   (resid  27 and name  HD2)   2.430    0.630    0.630  
assign (resid  26 and name   HA)   (resid  27 and name  HD1)   2.430    0.630    0.630  
assign (resid  10 and name  HG2)   (resid  13 and name   HA)   3.650    1.850    1.850  
assign (resid  28 and name   HN)   (resid  28 and name  HB2)   2.880    1.080    1.080  
assign (resid  28 and name   HN)   (resid  28 and name  HB1)   2.880    1.080    1.080  
assign (resid   1 and name   HN)   (resid  28 and name   HA)   2.760    0.960    0.960  
assign (resid   1 and name   HN)   (resid  28 and name  HB2)   3.565    1.765    1.765  
assign (resid   1 and name   HN)   (resid  11 and name   HA)   2.490    0.690    0.690  
assign (resid   1 and name  HA2)   (resid  11 and name   HN)   3.415    1.615    1.615  
assign (resid   9 and name HG1#)   (resid  17 and name  HD#)   3.445    1.645    1.645  
assign (resid   1 and name  HA1)   (resid  11 and name   HN)   3.415    1.615    1.615  
assign (resid   1 and name   HN)   (resid  28 and name   HN)   2.255    0.455    0.455  
assign (resid   4 and name  HE3)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid  11 and name   HN)   3.560    1.760    1.760  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   2.795    0.995    0.995  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   3.165    1.365    1.365  
assign (resid  13 and name HG2#)   (resid  26 and name  HD#)   2.855    1.055    1.055  
assign (resid   5 and name  HB1)   (resid   7 and name   HN)   3.140    1.340    1.340  
assign (resid  17 and name   HN)   (resid  17 and name  HD#)   2.715    0.915    0.915  
assign (resid  26 and name   HN)   (resid  26 and name  HD#)   2.670    0.870    0.870  
assign (resid  17 and name  HD#)   (resid  24 and name   HN)   3.100    1.300    1.300  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   3.490    1.690    1.690  
assign (resid  19 and name   HN)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid  15 and name   HN)   (resid  24 and name   HN)   2.730    0.930    0.930  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   3.335    1.535    1.535  
assign (resid   1 and name   HN)   (resid  12 and name   HN)   2.890    1.090    1.090  
assign (resid  17 and name  HD#)   (resid  18 and name  HD2)   2.750    0.950    0.950  
assign (resid  17 and name  HD#)   (resid  18 and name  HD1)   2.935    1.135    1.135  
assign (resid  21 and name   HN)   (resid  21 and name HD1#)   3.500    1.700    1.700  
assign (resid  21 and name   HN)   (resid  21 and name HD2#)   3.555    1.755    1.755  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.480    0.680    0.680  
assign (resid  21 and name   HN)   (resid  21 and name   HG)   2.905    1.105    1.105  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.795    0.995    0.995  
assign (resid  17 and name   HA)   (resid  17 and name  HE#)   3.405    1.605    1.605  
assign (resid  17 and name  HE#)   (resid  26 and name  HE#)   3.165    1.365    1.365  
assign (resid   2 and name  HD#)   (resid  26 and name  HD#)   3.160    1.360    1.360  
assign (resid  15 and name  HB#)   (resid  17 and name  HD#)   3.040    1.240    1.240  
assign (resid  15 and name  HB#)   (resid  26 and name  HD#)   3.440    1.640    1.640  
assign (resid  15 and name  HB#)   (resid  17 and name  HE#)   2.885    1.085    1.085  
assign (resid   2 and name  HD#)   (resid   4 and name  HD1)   3.650    1.850    1.850  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   3.215    1.415    1.415  
assign (resid  17 and name   HN)   (resid  24 and name   HN)   3.055    1.255    1.255  
assign (resid  17 and name  HD#)   (resid  21 and name HD2#)   3.120    1.320    1.320  
assign (resid   9 and name HG2#)   (resid  17 and name  HD#)   3.265    1.465    1.465  
assign (resid   9 and name HG1#)   (resid  26 and name  HD#)   2.985    1.185    1.185  
assign (resid  17 and name  HE#)   (resid  21 and name HD2#)   3.480    1.680    1.680  
assign (resid   2 and name  HD#)   (resid  21 and name HD2#)   3.650    1.850    1.850  
assign (resid   2 and name  HD#)   (resid  21 and name HD1#)   3.390    1.590    1.590  
assign (resid   8 and name   HA)   (resid   9 and name HG2#)   3.110    1.310    1.310  
assign (resid  14 and name   HA)   (resid  15 and name  HB#)   3.275    1.475    1.475  
assign (resid  13 and name HG2#)   (resid  14 and name   HA)   3.175    1.375    1.375  
assign (resid  19 and name  HE1)   (resid  20 and name   HA)   3.305    1.505    1.505  
assign (resid  15 and name   HN)   (resid  17 and name  HE#)   3.455    1.655    1.655  
assign (resid  15 and name   HN)   (resid  26 and name  HD#)   3.650    1.850    1.850  
assign (resid  17 and name  HD#)   (resid  21 and name HD1#)   3.115    1.315    1.315  
assign (resid  24 and name  HG1)   (resid  24 and name HE21)   2.860    1.060    1.060  
assign (resid  17 and name  HE#)   (resid  24 and name  HB1)   3.350    1.550    1.550  
assign (resid  17 and name  HD#)   (resid  24 and name  HB1)   3.365    1.565    1.565  
assign (resid  21 and name  HB2)   (resid  22 and name   HN)   2.635    0.835    0.835  
assign (resid  17 and name  HD#)   (resid  24 and name  HB2)   2.915    1.115    1.115  
assign (resid  17 and name  HD#)   (resid  24 and name  HG2)   3.060    1.260    1.260  
assign (resid  17 and name  HE#)   (resid  24 and name  HB2)   2.990    1.190    1.190  
assign (resid  19 and name   HA)   (resid  22 and name   HN)   2.820    1.020    1.020  
assign (resid  13 and name   HB)   (resid  26 and name  HD#)   2.845    1.045    1.045  
assign (resid  26 and name  HD#)   (resid  27 and name  HD2)   3.195    1.395    1.395  
assign (resid  26 and name  HD#)   (resid  27 and name  HD1)   3.195    1.395    1.395  
assign (resid   2 and name   HA)   (resid   2 and name  HD#)   2.650    0.850    0.850  
assign (resid   4 and name   HA)   (resid   4 and name  HD1)   2.890    1.090    1.090  
assign (resid  26 and name   HA)   (resid  28 and name   HN)   3.270    1.470    1.470  
assign (resid  15 and name   HN)   (resid  25 and name   HA)   2.790    0.990    0.990  
assign (resid  19 and name   HN)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  23 and name  HB2)   (resid  24 and name   HN)   3.315    1.515    1.515  
assign (resid  24 and name  HG2)   (resid  24 and name HE21)   2.860    1.060    1.060  
assign (resid  24 and name  HG2)   (resid  24 and name HE22)   2.860    1.060    1.060  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   2.670    0.870    0.870  
assign (resid  17 and name  HB2)   (resid  21 and name   HN)   3.060    1.260    1.260  
assign (resid  20 and name  HD2)   (resid  21 and name   HN)   3.070    1.270    1.270  
assign (resid  21 and name   HA)   (resid  21 and name   HG)   2.910    1.110    1.110  
assign (resid  21 and name   HA)   (resid  21 and name HD1#)   3.045    1.245    1.245  
assign (resid  21 and name   HA)   (resid  21 and name HD2#)   2.565    0.765    0.765  
assign (resid   2 and name  HD#)   (resid   3 and name   HA)   3.435    1.635    1.635  
assign (resid  24 and name  HG1)   (resid  24 and name HE22)   2.860    1.060    1.060  
assign (resid   2 and name  HE#)   (resid   4 and name  HB1)   3.080    1.280    1.280  
assign (resid  21 and name   HA)   (resid  24 and name HE22)   3.175    1.375    1.375  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.845    1.045    1.045  
assign (resid  24 and name   HN)   (resid  24 and name  HB1)   2.905    1.105    1.105  
assign (resid   6 and name   HA)   (resid   6 and name  HD2)   3.485    1.685    1.685  
assign (resid   5 and name   HA)   (resid   6 and name  HD2)   3.540    1.740    1.740  
assign (resid  15 and name  HB#)   (resid  17 and name   HZ)   3.205    1.405    1.405  
assign (resid  15 and name  HB#)   (resid  26 and name   HZ)   2.985    1.185    1.185  
assign (resid  24 and name  HB1)   (resid  26 and name  HE#)   3.420    1.620    1.620  
assign (resid  17 and name   HZ)   (resid  26 and name  HE#)   3.310    1.510    1.510  
assign (resid  17 and name  HE#)   (resid  26 and name   HZ)   3.260    1.460    1.460  
assign (resid  17 and name   HZ)   (resid  26 and name   HZ)   3.275    1.475    1.475  
assign (resid  21 and name  HB1)   (resid  21 and name HD2#)   2.935    1.135    1.135  
assign (resid  21 and name  HB2)   (resid  21 and name HD1#)   2.830    1.030    1.030  
assign (resid   9 and name HG2#)   (resid  13 and name   HB)   2.705    0.905    0.905  
assign (resid   9 and name   HN)   (resid   9 and name   HB)   2.850    1.050    1.050  
assign (resid   8 and name   HA)   (resid   8 and name  HB#)   2.385    0.585    0.585  
assign (resid  17 and name  HB1)   (resid  21 and name HD1#)   3.045    1.245    1.245  
assign (resid  17 and name  HB1)   (resid  21 and name HD2#)   2.995    1.195    1.195  
assign (resid   8 and name   HA)   (resid   9 and name HG1#)   2.725    0.925    0.925  
assign (resid   9 and name HG2#)   (resid  10 and name  HD2)   3.240    1.440    1.440  
assign (resid   9 and name HG2#)   (resid  10 and name  HD1)   3.355    1.555    1.555  
assign (resid  17 and name  HB2)   (resid  21 and name  HB2)   2.720    0.920    0.920  
assign (resid  17 and name  HB2)   (resid  21 and name  HB1)   2.875    1.075    1.075  
assign (resid  17 and name  HB1)   (resid  21 and name  HB1)   3.110    1.310    1.310  
assign (resid  17 and name  HB1)   (resid  21 and name  HB2)   2.785    0.985    0.985  
assign (resid   9 and name HG1#)   (resid  10 and name  HD1)   2.950    1.150    1.150  
assign (resid  10 and name  HD2)   (resid  13 and name HG2#)   2.780    0.980    0.980  
assign (resid   9 and name   HB)   (resid  13 and name HG2#)   2.600    0.800    0.800  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.565    0.765    0.765  
assign (resid   9 and name   HA)   (resid  13 and name HG2#)   3.535    1.735    1.735  
assign (resid   9 and name   HB)   (resid  10 and name  HD2)   2.465    0.665    0.665  
assign (resid   9 and name   HB)   (resid  10 and name  HD1)   2.820    1.020    1.020  
assign (resid  13 and name   HA)   (resid  13 and name HG2#)   2.440    0.640    0.640  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   2.865    1.065    1.065  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   2.925    1.125    1.125  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.495    0.695    0.695  
assign (resid  14 and name  HB1)   (resid  23 and name  HE1)   2.930    1.130    1.130  
assign (resid  14 and name  HB2)   (resid  23 and name  HE1)   2.860    1.060    1.060  
assign (resid  14 and name  HB1)   (resid  25 and name   HA)   3.420    1.620    1.620  
assign (resid   9 and name   HA)   (resid   9 and name HG1#)   2.490    0.690    0.690  
assign (resid   9 and name   HN)   (resid   9 and name HG1#)   2.820    1.020    1.020  
assign (resid   3 and name  HB1)   (resid   8 and name   HA)   3.380    1.580    1.580  
assign (resid  16 and name   HA)   (resid  23 and name   HA)   2.445    0.645    0.645  
assign (resid  11 and name   HA)   (resid  28 and name   HA)   3.175    1.375    1.375  
assign (resid   3 and name   HA)   (resid   8 and name  HB#)   2.925    1.125    1.125  
assign (resid   1 and name  HA1)   (resid  26 and name  HB#)   2.965    1.165    1.165  
assign (resid  13 and name   HB)   (resid  26 and name  HB#)   2.770    0.970    0.970  
assign (resid   1 and name  HA2)   (resid  26 and name  HB#)   2.965    1.165    1.165  
assign (resid  17 and name  HB1)   (resid  18 and name  HD1)   2.710    0.910    0.910  
assign (resid  17 and name  HB2)   (resid  18 and name  HD1)   2.960    1.160    1.160  
assign (resid  17 and name  HB2)   (resid  18 and name  HD2)   2.725    0.925    0.925  
assign (resid  17 and name  HB1)   (resid  18 and name  HD2)   2.495    0.695    0.695  
assign (resid   9 and name HG1#)   (resid  10 and name  HD2)   2.785    0.985    0.985  
assign (resid   9 and name HG1#)   (resid  13 and name   HB)   3.030    1.230    1.230  
assign (resid   9 and name HG2#)   (resid  26 and name  HB#)   3.010    1.210    1.210  
assign (resid   8 and name  HB#)   (resid   9 and name HG1#)   3.430    1.630    1.630  
assign (resid   9 and name   HB)   (resid  13 and name   HB)   3.050    1.250    1.250  
assign (resid  17 and name  HB2)   (resid  21 and name HD1#)   3.445    1.645    1.645  
assign (resid  17 and name  HB2)   (resid  21 and name HD2#)   3.550    1.750    1.750  
assign (resid   5 and name   HN)   (resid   5 and name  HD2)   2.785    0.985    0.985  
assign (resid   9 and name HG1#)   (resid  13 and name HG2#)   2.970    1.170    1.170  
assign (resid   9 and name HG2#)   (resid  13 and name HG2#)   2.800    1.000    1.000  
assign (resid   9 and name   HA)   (resid   9 and name HG2#)   2.785    0.985    0.985  
assign (resid  21 and name HD2#)   (resid  24 and name  HG1)   3.475    1.675    1.675  
assign (resid  17 and name  HD#)   (resid  24 and name  HG1)   3.060    1.260    1.260  
assign (resid  17 and name  HD#)   (resid  21 and name  HB1)   2.810    1.010    1.010  
assign (resid  13 and name HG2#)   (resid  17 and name  HE#)   3.420    1.620    1.620  
assign (resid   9 and name HG2#)   (resid  26 and name  HD#)   2.820    1.020    1.020  
assign (resid   9 and name HG2#)   (resid  17 and name   HZ)   3.395    1.595    1.595  
assign (resid   2 and name  HE#)   (resid   9 and name HG2#)   3.380    1.580    1.580  
assign (resid   9 and name HG2#)   (resid  26 and name  HE#)   3.235    1.435    1.435  
assign (resid   2 and name  HD#)   (resid   9 and name HG2#)   2.835    1.035    1.035  
assign (resid   2 and name  HD#)   (resid   9 and name HG1#)   3.595    1.795    1.795  
assign (resid   9 and name HG1#)   (resid  26 and name  HE#)   3.650    1.850    1.850  
assign (resid  24 and name  HB2)   (resid  26 and name  HE#)   3.095    1.295    1.295  
assign (resid  13 and name HG2#)   (resid  17 and name   HZ)   3.650    1.850    1.850  
assign (resid   2 and name  HD#)   (resid  26 and name  HB#)   3.325    1.525    1.525  
assign (resid  19 and name  HE3)   (resid  20 and name  HD1)   2.805    1.005    1.005  
assign (resid   4 and name  HE3)   (resid   5 and name  HB2)   3.265    1.465    1.465  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.835    1.035    1.035  
assign (resid   2 and name   HN)   (resid   9 and name   HN)   2.665    0.865    0.865  
assign (resid   4 and name   HN)   (resid   7 and name   HN)   2.715    0.915    0.915  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.600    0.800    0.800  
assign (resid   1 and name  HA2)   (resid  11 and name   HA)   2.970    1.170    1.170  
assign (resid   7 and name   HA)   (resid   8 and name  HB#)   2.920    1.120    1.120  
assign (resid  17 and name  HB1)   (resid  22 and name   HN)   3.125    1.325    1.325  
assign (resid   2 and name  HE#)   (resid   4 and name  HB2)   3.080    1.280    1.280  
assign (resid  26 and name  HB#)   (resid  26 and name   HZ)   3.510    1.710    1.710  
assign (resid  24 and name  HB2)   (resid  26 and name   HZ)   3.345    1.545    1.545  
assign (resid   9 and name HG2#)   (resid  26 and name   HZ)   3.535    1.735    1.735  
assign (resid  20 and name  HG2)   (resid  21 and name HD2#)   3.380    1.580    1.580  
assign (resid  20 and name  HG2)   (resid  21 and name HD1#)   3.650    1.850    1.850  
assign (resid  21 and name HD1#)   (resid  24 and name  HG1)   3.650    1.850    1.850  
assign (resid  20 and name  HD2)   (resid  21 and name   HG)   3.650    1.850    1.850  
assign (resid  17 and name  HB2)   (resid  21 and name   HG)   3.465    1.665    1.665  
assign (resid  14 and name   HA)   (resid  25 and name  HB2)   3.510    1.710    1.710  
assign (resid  14 and name   HA)   (resid  25 and name  HB1)   3.510    1.710    1.710  
assign (resid  26 and name   HA)   (resid  26 and name  HE#)   3.595    1.795    1.795  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.370    0.570    0.570  
assign (resid   4 and name  HE1)   (resid   5 and name  HD2)   3.650    1.850    1.850  
assign (resid   2 and name  HD#)   (resid   3 and name   HN)   2.925    1.125    1.125  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   2.590    0.790    0.790  
assign (resid   2 and name  HE#)   (resid   3 and name   HN)   3.040    1.240    1.240  
assign (resid  21 and name HD2#)   (resid  24 and name HE22)   3.445    1.645    1.645  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   2.780    0.980    0.980  
assign (resid  13 and name HG2#)   (resid  26 and name   HZ)   3.565    1.765    1.765  
assign (resid   9 and name HG1#)   (resid  17 and name  HE#)   2.945    1.145    1.145  
assign (resid   9 and name HG2#)   (resid  17 and name  HE#)   3.195    1.395    1.395  
assign (resid   2 and name  HE#)   (resid   9 and name HG1#)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   8 and name  HB#)   3.060    1.260    1.260  
assign (resid  23 and name  HB1)   (resid  24 and name   HN)   3.315    1.515    1.515  
assign (resid  15 and name  HB#)   (resid  24 and name   HN)   3.650    1.850    1.850  
assign (resid  21 and name HD2#)   (resid  24 and name HE21)   3.445    1.645    1.645  
assign (resid  17 and name   HN)   (resid  21 and name  HB1)   3.225    1.425    1.425  
assign (resid  17 and name  HE#)   (resid  21 and name HD1#)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   9 and name HG2#)   2.500    0.700    0.700  
assign (resid   2 and name   HN)   (resid   9 and name HG1#)   3.460    1.660    1.660  
assign (resid   2 and name   HN)   (resid   9 and name   HB)   3.110    1.310    1.310  
assign (resid   2 and name   HN)   (resid  26 and name  HB#)   2.905    1.105    1.105  
assign (resid  13 and name   HN)   (resid  26 and name  HB#)   3.140    1.340    1.340  
assign (resid   1 and name  HA1)   (resid   2 and name   HN)   2.470    0.670    0.670  
assign (resid   5 and name  HB2)   (resid   7 and name   HN)   3.110    1.310    1.310  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   3.525    1.725    1.725  
assign (resid  21 and name   HA)   (resid  24 and name HE21)   3.175    1.375    1.375  
assign (resid  17 and name   HN)   (resid  23 and name   HA)   2.960    1.160    1.160  
assign (resid  16 and name   HA)   (resid  24 and name   HN)   2.865    1.065    1.065  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.470    0.670    0.670  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.980    1.180    1.180  
assign (resid  21 and name HD1#)   (resid  24 and name  HG2)   3.650    1.850    1.850  
assign (resid  21 and name HD2#)   (resid  24 and name  HG2)   3.475    1.675    1.675  
assign (resid  17 and name   HN)   (resid  22 and name  HA2)   3.310    1.510    1.510  
assign (resid  17 and name   HN)   (resid  22 and name  HA1)   3.310    1.510    1.510  
assign (resid  15 and name   HN)   (resid  24 and name  HB2)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  10 and name  HD1)   3.550    1.750    1.750  
assign (resid   4 and name   HN)   (resid   7 and name  HB1)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   7 and name  HB2)   3.650    1.850    1.850  
assign (resid  11 and name   HA)   (resid  28 and name   HN)   3.645    1.845    1.845  
assign (resid   9 and name HG2#)   (resid  14 and name   HN)   3.475    1.675    1.675  
assign (resid   9 and name HG1#)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name  HB1)   (resid  21 and name   HN)   3.275    1.475    1.475  
assign (resid  24 and name  HG1)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid  13 and name HG2#)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid  28 and name  HB1)   3.565    1.765    1.765  
assign (resid   9 and name HG2#)   (resid  13 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name  HD#)   (resid  21 and name  HB2)   3.295    1.495    1.495  
assign (resid  24 and name  HB2)   (resid  26 and name  HD#)   3.650    1.850    1.850  
assign (resid  24 and name  HB1)   (resid  26 and name  HD#)   3.650    1.850    1.850  
assign (resid   9 and name   HB)   (resid  26 and name  HD#)   3.650    1.850    1.850  
assign (resid   2 and name  HE#)   (resid   4 and name   HA)   3.555    1.755    1.755  
assign (resid  21 and name HD1#)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid  21 and name HD2#)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name  HG1)   (resid  26 and name  HE#)   3.650    1.850    1.850  
assign (resid  24 and name  HG2)   (resid  26 and name  HE#)   3.650    1.850    1.850  
assign (resid  13 and name   HA)   (resid  14 and name   HA)   3.650    1.850    1.850  
assign (resid   7 and name   HA)   (resid   8 and name   HA)   3.585    1.785    1.785  
assign (resid  18 and name   HA)   (resid  19 and name  HB2)   3.515    1.715    1.715  
assign (resid  18 and name   HA)   (resid  19 and name  HB1)   3.515    1.715    1.715  
assign (resid   1 and name  HA1)   (resid  11 and name   HA)   2.970    1.170    1.170  
assign (resid   4 and name  HD1)   (resid   5 and name   HN)   3.530    1.730    1.730  
assign (resid   4 and name  HZ2)   (resid   5 and name   HN)   3.515    1.715    1.715  
assign (resid  23 and name  HD2)   (resid  24 and name   HA)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.400    0.600    0.600  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   3.385    1.585    1.585  
assign (resid  16 and name   HN)   (resid  17 and name  HE#)   3.470    1.670    1.670  
assign (resid  17 and name   HN)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid  15 and name  HB#)   (resid  26 and name  HE#)   3.075    1.275    1.275  
assign (resid   3 and name   HN)   (resid   9 and name HG2#)   3.650    1.850    1.850  
assign (resid   4 and name  HE3)   (resid   9 and name HG2#)   3.650    1.850    1.850  
assign (resid   4 and name  HZ3)   (resid   9 and name HG1#)   3.045    1.245    1.245  
assign (resid   4 and name  HZ3)   (resid   9 and name HG2#)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid  11 and name  HB#)   2.955    1.155    1.155  
assign (resid   1 and name   HN)   (resid  28 and name  HB#)   3.205    1.405    1.405  
assign (resid   1 and name  HA#)   (resid   9 and name HG2#)   3.035    1.235    1.235  
assign (resid   1 and name  HA#)   (resid  11 and name   HN)   3.075    1.275    1.275  
assign (resid   1 and name  HA#)   (resid  11 and name   HA)   2.655    0.855    0.855  
assign (resid   1 and name  HA#)   (resid  26 and name  HB#)   2.545    0.745    0.745  
assign (resid   1 and name  HA#)   (resid  28 and name   HN)   3.070    1.270    1.270  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.575    0.775    0.775  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.880    1.080    1.080  
assign (resid   2 and name  HB#)   (resid   9 and name   HN)   3.570    1.770    1.770  
assign (resid   2 and name  HB#)   (resid   9 and name HG2#)   2.590    0.790    0.790  
assign (resid   2 and name  HB#)   (resid  26 and name  HD#)   2.635    0.835    0.835  
assign (resid   2 and name  HB#)   (resid  26 and name  HE#)   3.530    1.730    1.730  
assign (resid   2 and name  HD#)   (resid   4 and name  HB#)   3.170    1.370    1.370  
assign (resid   2 and name  HE#)   (resid   4 and name  HB#)   2.745    0.945    0.945  
assign (resid   4 and name  HB#)   (resid   4 and name  HD1)   2.495    0.695    0.695  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   3.095    1.295    1.295  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.650    0.850    0.850  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   3.130    1.330    1.330  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.450    0.650    0.650  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   2.515    0.715    0.715  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.620    0.820    0.820  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.695    0.895    0.895  
assign (resid  11 and name  HB#)   (resid  27 and name   HA)   3.570    1.770    1.770  
assign (resid  11 and name  HB#)   (resid  27 and name  HB#)   3.490    1.690    1.690  
assign (resid  11 and name  HB#)   (resid  28 and name   HN)   2.780    0.980    0.980  
assign (resid  11 and name  HB#)   (resid  28 and name   HA)   2.790    0.990    0.990  
assign (resid  12 and name  HA#)   (resid  13 and name   HN)   2.455    0.655    0.655  
assign (resid  14 and name   HA)   (resid  25 and name  HB#)   3.100    1.300    1.300  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.320    0.520    0.520  
assign (resid  16 and name   HA)   (resid  23 and name  HB#)   2.995    1.195    1.195  
assign (resid  17 and name   HN)   (resid  22 and name  HA#)   2.910    1.110    1.110  
assign (resid  17 and name  HD#)   (resid  24 and name  HG#)   2.745    0.945    0.945  
assign (resid  17 and name  HD#)   (resid  24 and name HE2#)   3.570    1.770    1.770  
assign (resid  17 and name  HE#)   (resid  24 and name  HG#)   3.205    1.405    1.405  
assign (resid  18 and name   HA)   (resid  19 and name  HB#)   3.080    1.280    1.280  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.610    0.810    0.810  
assign (resid  18 and name  HG#)   (resid  19 and name   HN)   3.415    1.615    1.615  
assign (resid  19 and name  HB#)   (resid  19 and name  HD1)   2.535    0.735    0.735  
assign (resid  19 and name  HB#)   (resid  19 and name  HE3)   2.615    0.815    0.815  
assign (resid  19 and name  HD1)   (resid  20 and name  HB#)   3.570    1.770    1.770  
assign (resid  19 and name  HE3)   (resid  20 and name  HB#)   3.570    1.770    1.770  
assign (resid  19 and name  HE1)   (resid  20 and name  HB#)   3.285    1.485    1.485  
assign (resid  19 and name  HZ2)   (resid  20 and name  HB#)   3.570    1.770    1.770  
assign (resid  21 and name   HA)   (resid  24 and name HE2#)   2.850    1.050    1.050  
assign (resid  21 and name  HB1)   (resid  24 and name HE2#)   3.235    1.435    1.435  
assign (resid  21 and name HD1#)   (resid  24 and name  HG#)   3.230    1.430    1.430  
assign (resid  21 and name HD1#)   (resid  24 and name HE2#)   3.115    1.315    1.315  
assign (resid  21 and name HD2#)   (resid  24 and name  HG#)   3.140    1.340    1.340  
assign (resid  21 and name HD2#)   (resid  24 and name HE2#)   3.025    1.225    1.225  
assign (resid  22 and name  HA#)   (resid  23 and name   HN)   2.275    0.475    0.475  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.465    0.665    0.665  
assign (resid  23 and name  HB#)   (resid  23 and name  HD2)   2.530    0.730    0.730  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   2.885    1.085    1.085  
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   2.850    1.050    1.050  
assign (resid  24 and name   HA)   (resid  24 and name HE2#)   3.200    1.400    1.400  
assign (resid  24 and name  HB1)   (resid  24 and name HE2#)   3.225    1.425    1.425  
assign (resid  24 and name  HG#)   (resid  24 and name HE2#)   2.325    0.525    0.525  
assign (resid  24 and name  HG#)   (resid  25 and name   HN)   3.325    1.525    1.525  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.480    0.680    0.680  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   2.745    0.945    0.945  
assign (resid  26 and name   HN)   (resid  27 and name  HD#)   3.445    1.645    1.645  
assign (resid  26 and name  HB#)   (resid  27 and name  HD#)   3.015    1.215    1.215  
assign (resid  26 and name  HD#)   (resid  27 and name  HD#)   2.915    1.115    1.115  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   2.805    1.005    1.005  
assign (resid  27 and name  HG#)   (resid  28 and name   HN)   2.930    1.130    1.130  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   3.335    1.535    1.535  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.510    0.710    0.710  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HN       GLY   1  -1.606  -6.570  -0.222
    2    HA2  GLY   1           HA2      GLY   1  -2.789  -4.638  -0.797
    3    HA3  GLY   1           HA1      GLY   1  -4.225  -5.314  -0.048
    4    H    PHE   2           HN       PHE   2  -3.640  -2.686   0.382
    5    HA   PHE   2           HA       PHE   2  -3.196  -2.666   3.264
    6    HB2  PHE   2           HB2      PHE   2  -0.958  -2.394   2.448
    7    HB3  PHE   2           HB1      PHE   2  -1.470  -1.192   1.287
    8    HD1  PHE   2           HD1      PHE   2  -1.562  -1.698   4.994
    9    HD2  PHE   2           HD2      PHE   2  -0.878   0.943   1.743
   10    HE1  PHE   2           HE1      PHE   2  -0.876   0.067   6.573
   11    HE2  PHE   2           HE2      PHE   2  -0.207   2.700   3.280
   12    HZ   PHE   2           HZ       PHE   2  -0.197   2.278   5.721
   13    H    CYS   3           HN       CYS   3  -4.327  -1.009   4.268
   14    HA   CYS   3           HA       CYS   3  -5.811   0.695   2.500
   15    HB2  CYS   3           HB2      CYS   3  -6.351  -0.252   5.297
   16    HB3  CYS   3           HB1      CYS   3  -7.227   1.077   4.535
   17    H    TRP   4           HN       TRP   4  -5.589   2.676   2.537
   18    HA   TRP   4           HA       TRP   4  -4.063   4.108   4.542
   19    HB2  TRP   4           HB2      TRP   4  -2.271   3.167   3.300
   20    HB3  TRP   4           HB1      TRP   4  -3.029   3.580   1.768
   21    HD1  TRP   4           HD1      TRP   4  -1.532   5.377   4.815
   22    HE1  TRP   4           HE1      TRP   4  -0.497   7.567   3.986
   23    HE3  TRP   4          3HE       TRP   4  -2.869   5.038  -0.046
   24    HZ2  TRP   4           HZ2      TRP   4  -0.315   8.927   1.647
   25    HZ3  TRP   4           HZ3      TRP   4  -2.226   6.783  -1.568
   26    HH2  TRP   4          2HH       TRP   4  -0.942   8.758  -0.774
   27    H    HIS   5           HN       HIS   5  -4.248   6.392   4.347
   28    HA   HIS   5           HA       HIS   5  -5.671   8.155   4.205
   29    HB2  HIS   5           HB2      HIS   5  -4.278   7.633   1.744
   30    HB3  HIS   5           HB1      HIS   5  -5.643   8.752   1.502
   31    HD1  HIS   5           HD1      HIS   5  -4.070  10.821   1.151
   32    HD2  HIS   5           HD2      HIS   5  -3.440   8.804   4.730
   33    HE1  HIS   5           HE1      HIS   5  -2.587  12.298   2.528
   34    H    HIS   6           HN       HIS   6  -7.327   6.089   4.536
   35    HA   HIS   6           HA       HIS   6  -9.519   5.554   4.534
   36    HB2  HIS   6           HB2      HIS   6  -9.913   8.037   2.831
   37    HB3  HIS   6           HB1      HIS   6 -11.211   7.101   3.552
   38    HD1  HIS   6           HD1      HIS   6 -11.445   7.308   6.226
   39    HD2  HIS   6           HD2      HIS   6  -8.676   9.835   4.441
   40    HE1  HIS   6           HE1      HIS   6 -10.947   9.089   7.920
   41    H    SER   7           HN       SER   7  -7.612   5.152   2.091
   42    HA   SER   7           HA       SER   7  -9.582   3.951   0.250
   43    HB2  SER   7           HB2      SER   7  -6.830   5.003  -0.416
   44    HB3  SER   7           HB1      SER   7  -8.154   4.631  -1.524
   45    HG   SER   7           HG       SER   7  -8.050   6.737   0.371
   46    H    CYS   8           HN       CYS   8  -8.344   2.204  -0.993
   47    HA   CYS   8           HA       CYS   8  -6.366   0.960   0.701
   48    HB2  CYS   8           HB2      CYS   8  -8.984  -0.279  -0.052
   49    HB3  CYS   8           HB1      CYS   8  -7.622  -1.189   0.666
   50    H    VAL   9           HN       VAL   9  -4.865   0.092  -0.389
   51    HA   VAL   9           HA       VAL   9  -5.272  -0.140  -3.227
   52    HB   VAL   9           HB       VAL   9  -2.774  -0.427  -3.352
   53   HG11  VAL   9          HG11      VAL   9  -2.262   1.937  -2.879
   54   HG12  VAL   9          HG12      VAL   9  -3.803   2.061  -2.014
   55   HG13  VAL   9          3HG1      VAL   9  -3.789   1.762  -3.768
   56   HG21  VAL   9          HG21      VAL   9  -1.382   0.316  -1.541
   57   HG22  VAL   9          HG22      VAL   9  -2.302  -1.091  -0.999
   58   HG23  VAL   9          HG23      VAL   9  -2.763   0.561  -0.503
   59    HA   PRO  10           HA       PRO  10  -5.928  -4.433  -2.817
   60    HB2  PRO  10           HB2      PRO  10  -5.598  -5.174  -5.412
   61    HB3  PRO  10           HB1      PRO  10  -7.023  -4.307  -4.830
   62    HG2  PRO  10           HG2      PRO  10  -4.621  -3.263  -6.265
   63    HG3  PRO  10           HG1      PRO  10  -6.327  -2.828  -6.472
   64    HD2  PRO  10           HD2      PRO  10  -4.545  -1.315  -5.072
   65    HD3  PRO  10           HD1      PRO  10  -6.278  -1.339  -4.708
   66    H    SER  11           HN       SER  11  -4.937  -6.580  -3.304
   67    HA   SER  11           HA       SER  11  -2.267  -6.635  -2.508
   68    HB2  SER  11           HB2      SER  11  -3.740  -8.898  -3.848
   69    HB3  SER  11           HB1      SER  11  -2.515  -8.924  -2.560
   70    HG   SER  11           HG       SER  11  -4.705  -9.274  -1.863
   71    H    GLY  12           HN       GLY  12  -0.432  -6.784  -3.679
   72    HA2  GLY  12           HA2      GLY  12   0.814  -7.429  -5.594
   73    HA3  GLY  12           HA1      GLY  12  -0.629  -7.192  -6.572
   74    H    THR  13           HN       THR  13  -0.830  -4.686  -4.645
   75    HA   THR  13           HA       THR  13   0.203  -2.882  -6.607
   76    HB   THR  13           HB       THR  13  -0.989  -2.328  -3.913
   77    HG1  THR  13           HG1      THR  13  -2.613  -3.213  -4.898
   78   HG21  THR  13          HG21      THR  13   0.102  -0.351  -4.814
   79   HG22  THR  13          HG22      THR  13  -1.643  -0.138  -4.869
   80   HG23  THR  13          HG23      THR  13  -0.759  -0.531  -6.347
   81    H    CYS  14           HN       CYS  14   1.612  -1.257  -6.173
   82    HA   CYS  14           HA       CYS  14   3.459  -1.302  -3.951
   83    HB2  CYS  14           HB2      CYS  14   4.417  -1.538  -6.841
   84    HB3  CYS  14           HB1      CYS  14   5.433  -1.240  -5.451
   85    H    ALA  15           HN       ALA  15   3.826   0.781  -3.484
   86    HA   ALA  15           HA       ALA  15   3.631   2.774  -5.581
   87    HB1  ALA  15           HB1      ALA  15   1.954   4.105  -4.357
   88    HB2  ALA  15           HB2      ALA  15   1.799   2.794  -3.182
   89    HB3  ALA  15           HB3      ALA  15   1.306   2.538  -4.853
   90    H    ASP  16           HN       ASP  16   4.233   4.918  -4.721
   91    HA   ASP  16           HA       ASP  16   6.227   4.593  -2.616
   92    HB2  ASP  16           HB2      ASP  16   7.028   5.375  -4.841
   93    HB3  ASP  16           HB1      ASP  16   5.954   6.761  -4.711
   94    H    PHE  17           HN       PHE  17   5.234   4.939  -0.801
   95    HA   PHE  17           HA       PHE  17   3.212   7.007  -0.514
   96    HB2  PHE  17           HB2      PHE  17   4.259   4.907   1.415
   97    HB3  PHE  17           HB1      PHE  17   2.926   5.955   1.767
   98    HD1  PHE  17           HD1      PHE  17   3.996   3.127  -0.335
   99    HD2  PHE  17           HD2      PHE  17   0.706   5.545   0.883
  100    HE1  PHE  17           HE1      PHE  17   2.454   1.573  -1.349
  101    HE2  PHE  17           HE2      PHE  17  -0.818   3.978  -0.137
  102    HZ   PHE  17           HZ       PHE  17   0.024   1.995  -1.263
  103    HA   PRO  18           HA       PRO  18   5.942   9.888   1.516
  104    HB2  PRO  18           HB2      PRO  18   4.183  10.076   3.874
  105    HB3  PRO  18           HB1      PRO  18   4.620  11.327   2.712
  106    HG2  PRO  18           HG2      PRO  18   2.171  10.261   2.782
  107    HG3  PRO  18           HG1      PRO  18   2.922  10.756   1.257
  108    HD2  PRO  18           HD2      PRO  18   2.615   8.020   2.422
  109    HD3  PRO  18           HD1      PRO  18   2.449   8.552   0.736
  110    H    TRP  19           HN       TRP  19   7.307  10.173   3.379
  111    HA   TRP  19           HA       TRP  19   8.276   7.781   4.544
  112    HB2  TRP  19           HB2      TRP  19   9.606   9.883   4.104
  113    HB3  TRP  19           HB1      TRP  19   8.728  10.649   5.419
  114    HD1  TRP  19           HD1      TRP  19  11.429   8.023   4.741
  115    HE1  TRP  19           HE1      TRP  19  12.708   7.603   6.937
  116    HE3  TRP  19          3HE       TRP  19   8.489  10.680   7.830
  117    HZ2  TRP  19           HZ2      TRP  19  12.482   8.337   9.665
  118    HZ3  TRP  19           HZ3      TRP  19   9.054  10.810  10.266
  119    HH2  TRP  19          2HH       TRP  19  11.016   9.646  11.144
  120    HA   PRO  20           HA       PRO  20   9.132   6.961   6.252
  121    HB2  PRO  20           HB2      PRO  20   8.900   5.132   8.151
  122    HB3  PRO  20           HB1      PRO  20   9.281   6.813   8.531
  123    HG2  PRO  20           HG2      PRO  20   6.734   5.332   8.895
  124    HG3  PRO  20           HG1      PRO  20   7.401   6.675   9.836
  125    HD2  PRO  20           HD2      PRO  20   5.450   6.801   7.761
  126    HD3  PRO  20           HD1      PRO  20   6.198   8.162   8.619
  127    H    LEU  21           HN       LEU  21   6.144   6.199   5.148
  128    HA   LEU  21           HA       LEU  21   6.277   3.371   5.025
  129    HB2  LEU  21           HB2      LEU  21   4.708   5.417   3.484
  130    HB3  LEU  21           HB1      LEU  21   4.576   3.698   3.172
  131    HG   LEU  21           HG       LEU  21   3.937   4.961   5.845
  132   HD11  LEU  21          HD11      LEU  21   2.118   4.098   3.602
  133   HD12  LEU  21          HD12      LEU  21   2.421   5.773   4.075
  134   HD13  LEU  21          HD13      LEU  21   1.599   4.670   5.187
  135   HD21  LEU  21          HD21      LEU  21   3.347   2.291   4.626
  136   HD22  LEU  21          HD22      LEU  21   2.813   2.831   6.220
  137   HD23  LEU  21          HD23      LEU  21   4.537   2.584   5.898
  138    H    GLY  22           HN       GLY  22   6.829   5.883   2.568
  139    HA2  GLY  22           HA2      GLY  22   8.279   5.909   0.773
  140    HA3  GLY  22           HA1      GLY  22   9.108   4.541   1.512
  141    H    HIS  23           HN       HIS  23   9.329   3.556  -0.564
  142    HA   HIS  23           HA       HIS  23   6.970   2.852  -2.031
  143    HB2  HIS  23           HB2      HIS  23   9.252   3.127  -3.119
  144    HB3  HIS  23           HB1      HIS  23   9.727   1.633  -2.320
  145    HD1  HIS  23           HD1      HIS  23   8.310   2.870  -5.419
  146    HD2  HIS  23           HD2      HIS  23   8.071  -0.554  -3.137
  147    HE1  HIS  23           HE1      HIS  23   7.347   1.092  -6.939
  148    H    GLN  24           HN       GLN  24   5.656   1.388  -1.506
  149    HA   GLN  24           HA       GLN  24   6.534  -0.917   0.106
  150    HB2  GLN  24           HB2      GLN  24   4.114   0.834   0.399
  151    HB3  GLN  24           HB1      GLN  24   4.192  -0.775   1.087
  152    HG2  GLN  24           HG2      GLN  24   6.194   1.366   1.729
  153    HG3  GLN  24           HG1      GLN  24   4.689   1.164   2.624
  154   HE21  GLN  24          1HE2      GLN  24   5.702   0.633   4.520
  155   HE22  GLN  24          2HE2      GLN  24   6.510  -0.875   4.757
  156    H    CYS  25           HN       CYS  25   5.836  -2.860  -0.608
  157    HA   CYS  25           HA       CYS  25   3.796  -2.936  -2.697
  158    HB2  CYS  25           HB2      CYS  25   6.087  -4.813  -2.085
  159    HB3  CYS  25           HB1      CYS  25   4.769  -5.253  -3.160
  160    H    PHE  26           HN       PHE  26   2.156  -4.566  -2.484
  161    HA   PHE  26           HA       PHE  26   1.835  -5.442   0.313
  162    HB2  PHE  26           HB2      PHE  26  -0.359  -4.227  -1.340
  163    HB3  PHE  26           HB1      PHE  26  -0.420  -4.648   0.365
  164    HD1  PHE  26           HD1      PHE  26   0.005  -2.061  -1.939
  165    HD2  PHE  26           HD2      PHE  26   1.420  -3.474   1.833
  166    HE1  PHE  26           HE1      PHE  26   0.807   0.125  -1.426
  167    HE2  PHE  26           HE2      PHE  26   2.208  -1.209   2.358
  168    HZ   PHE  26           HZ       PHE  26   1.886   0.601   0.672
  169    HA   PRO  27           HA       PRO  27   0.958  -9.093  -2.364
  170    HB2  PRO  27           HB2      PRO  27   1.453 -10.371   0.268
  171    HB3  PRO  27           HB1      PRO  27   2.124 -10.781  -1.314
  172    HG2  PRO  27           HG2      PRO  27   3.655  -9.582   0.473
  173    HG3  PRO  27           HG1      PRO  27   3.704  -9.056  -1.221
  174    HD2  PRO  27           HD2      PRO  27   2.260  -7.810   1.093
  175    HD3  PRO  27           HD1      PRO  27   3.269  -7.036  -0.151
  176    H    ASP  28           HN       ASP  28  -0.383  -7.892   0.550
  177    HA   ASP  28           HA       ASP  28  -2.815  -9.527   0.215
  178    HB2  ASP  28           HB2      ASP  28  -1.580  -8.535   2.797
  179    HB3  ASP  28           HB1      ASP  28  -3.184  -9.237   2.676
  Start of MODEL    2
    1    H1   GLY   1           HN       GLY   1  -1.426  -6.360  -0.025
    2    HA2  GLY   1           HA2      GLY   1  -2.437  -4.380  -0.697
    3    HA3  GLY   1           HA1      GLY   1  -3.926  -4.933   0.056
    4    H    PHE   2           HN       PHE   2  -3.524  -2.403   0.457
    5    HA   PHE   2           HA       PHE   2  -3.009  -2.247   3.298
    6    HB2  PHE   2           HB2      PHE   2  -0.782  -1.808   2.390
    7    HB3  PHE   2           HB1      PHE   2  -1.438  -0.575   1.329
    8    HD1  PHE   2           HD1      PHE   2  -1.384  -1.398   4.972
    9    HD2  PHE   2           HD2      PHE   2  -1.114   1.602   1.964
   10    HE1  PHE   2           HE1      PHE   2  -0.931   0.282   6.693
   11    HE2  PHE   2           HE2      PHE   2  -0.661   3.284   3.663
   12    HZ   PHE   2           HZ       PHE   2  -0.561   2.639   6.050
   13    H    CYS   3           HN       CYS   3  -4.455  -0.897   4.206
   14    HA   CYS   3           HA       CYS   3  -6.045   0.612   2.334
   15    HB2  CYS   3           HB2      CYS   3  -6.754  -0.425   5.078
   16    HB3  CYS   3           HB1      CYS   3  -7.833   0.503   4.044
   17    H    TRP   4           HN       TRP   4  -5.913   2.625   2.318
   18    HA   TRP   4           HA       TRP   4  -5.157   4.266   4.575
   19    HB2  TRP   4           HB2      TRP   4  -2.966   3.713   3.929
   20    HB3  TRP   4           HB1      TRP   4  -3.384   3.636   2.228
   21    HD1  TRP   4           HD1      TRP   4  -2.541   6.172   4.976
   22    HE1  TRP   4           HE1      TRP   4  -1.824   8.364   3.822
   23    HE3  TRP   4          3HE       TRP   4  -3.546   4.879   0.174
   24    HZ2  TRP   4           HZ2      TRP   4  -1.720   9.382   1.224
   25    HZ3  TRP   4           HZ3      TRP   4  -3.116   6.457  -1.606
   26    HH2  TRP   4          2HH       TRP   4  -2.214   8.703  -1.123
   27    H    HIS   5           HN       HIS   5  -5.358   6.668   3.967
   28    HA   HIS   5           HA       HIS   5  -6.585   8.351   3.279
   29    HB2  HIS   5           HB2      HIS   5  -5.001   7.656   1.313
   30    HB3  HIS   5           HB1      HIS   5  -6.521   7.297   0.491
   31    HD1  HIS   5           HD1      HIS   5  -7.338   9.287  -0.842
   32    HD2  HIS   5           HD2      HIS   5  -5.243  10.286   2.574
   33    HE1  HIS   5           HE1      HIS   5  -7.275  11.804  -0.819
   34    H    HIS   6           HN       HIS   6  -8.068   6.129   4.172
   35    HA   HIS   6           HA       HIS   6 -10.183   5.363   4.394
   36    HB2  HIS   6           HB2      HIS   6 -10.944   7.718   2.632
   37    HB3  HIS   6           HB1      HIS   6 -12.084   6.727   3.529
   38    HD1  HIS   6           HD1      HIS   6 -11.187   9.926   3.812
   39    HD2  HIS   6           HD2      HIS   6 -10.556   6.765   6.413
   40    HE1  HIS   6           HE1      HIS   6 -10.938  10.949   6.099
   41    H    SER   7           HN       SER   7  -8.466   4.939   1.874
   42    HA   SER   7           HA       SER   7 -10.457   3.498   0.274
   43    HB2  SER   7           HB2      SER   7  -7.883   4.814  -0.613
   44    HB3  SER   7           HB1      SER   7  -9.128   4.118  -1.652
   45    HG   SER   7           HG       SER   7  -9.640   6.227   0.142
   46    H    CYS   8           HN       CYS   8  -8.511   2.045  -1.202
   47    HA   CYS   8           HA       CYS   8  -6.515   1.116   0.609
   48    HB2  CYS   8           HB2      CYS   8  -8.697  -0.013   1.344
   49    HB3  CYS   8           HB1      CYS   8  -8.621  -0.831  -0.224
   50    H    VAL   9           HN       VAL   9  -4.991   0.038  -0.360
   51    HA   VAL   9           HA       VAL   9  -5.227  -0.093  -3.250
   52    HB   VAL   9           HB       VAL   9  -2.757  -0.303  -3.379
   53   HG11  VAL   9          HG11      VAL   9  -3.673   2.080  -1.798
   54   HG12  VAL   9          HG12      VAL   9  -3.667   1.921  -3.568
   55   HG13  VAL   9          3HG1      VAL   9  -2.141   1.957  -2.659
   56   HG21  VAL   9          HG21      VAL   9  -2.210  -1.279  -1.203
   57   HG22  VAL   9          HG22      VAL   9  -2.705   0.242  -0.416
   58   HG23  VAL   9          HG23      VAL   9  -1.319   0.220  -1.479
   59    HA   PRO  10           HA       PRO  10  -5.856  -4.358  -2.867
   60    HB2  PRO  10           HB2      PRO  10  -5.493  -5.114  -5.457
   61    HB3  PRO  10           HB1      PRO  10  -6.930  -4.269  -4.884
   62    HG2  PRO  10           HG2      PRO  10  -4.550  -3.173  -6.316
   63    HG3  PRO  10           HG1      PRO  10  -6.262  -2.769  -6.515
   64    HD2  PRO  10           HD2      PRO  10  -4.492  -1.245  -5.102
   65    HD3  PRO  10           HD1      PRO  10  -6.230  -1.283  -4.754
   66    H    SER  11           HN       SER  11  -4.799  -6.423  -2.947
   67    HA   SER  11           HA       SER  11  -2.137  -6.401  -2.251
   68    HB2  SER  11           HB2      SER  11  -3.595  -8.804  -3.307
   69    HB3  SER  11           HB1      SER  11  -2.472  -8.641  -1.934
   70    HG   SER  11           HG       SER  11  -4.536  -8.788  -1.114
   71    H    GLY  12           HN       GLY  12  -0.335  -6.471  -3.444
   72    HA2  GLY  12           HA2      GLY  12   0.915  -7.367  -5.328
   73    HA3  GLY  12           HA1      GLY  12  -0.529  -7.153  -6.311
   74    H    THR  13           HN       THR  13  -0.873  -4.563  -4.706
   75    HA   THR  13           HA       THR  13   0.265  -2.844  -6.647
   76    HB   THR  13           HB       THR  13  -1.024  -2.289  -4.005
   77    HG1  THR  13           HG1      THR  13  -2.542  -3.162  -5.238
   78   HG21  THR  13          HG21      THR  13  -0.501  -0.343  -6.277
   79   HG22  THR  13          HG22      THR  13   0.157  -0.277  -4.636
   80   HG23  THR  13          HG23      THR  13  -1.556  -0.006  -4.905
   81    H    CYS  14           HN       CYS  14   1.636  -1.210  -6.235
   82    HA   CYS  14           HA       CYS  14   3.500  -1.258  -4.007
   83    HB2  CYS  14           HB2      CYS  14   4.362  -1.293  -6.929
   84    HB3  CYS  14           HB1      CYS  14   5.425  -1.038  -5.560
   85    H    ALA  15           HN       ALA  15   3.758   0.831  -3.402
   86    HA   ALA  15           HA       ALA  15   3.324   2.902  -5.381
   87    HB1  ALA  15           HB1      ALA  15   1.613   2.711  -2.911
   88    HB2  ALA  15           HB2      ALA  15   1.078   2.408  -4.564
   89    HB3  ALA  15           HB3      ALA  15   1.605   4.023  -4.089
   90    H    ASP  16           HN       ASP  16   3.823   5.001  -4.584
   91    HA   ASP  16           HA       ASP  16   5.986   4.888  -2.636
   92    HB2  ASP  16           HB2      ASP  16   6.694   5.811  -4.701
   93    HB3  ASP  16           HB1      ASP  16   5.296   6.867  -4.811
   94    H    PHE  17           HN       PHE  17   5.423   5.296  -0.707
   95    HA   PHE  17           HA       PHE  17   3.469   7.402  -0.201
   96    HB2  PHE  17           HB2      PHE  17   4.152   4.953   1.453
   97    HB3  PHE  17           HB1      PHE  17   3.098   6.202   1.999
   98    HD1  PHE  17           HD1      PHE  17   1.178   6.879   0.299
   99    HD2  PHE  17           HD2      PHE  17   3.008   3.014   0.417
  100    HE1  PHE  17           HE1      PHE  17  -0.767   5.886  -0.777
  101    HE2  PHE  17           HE2      PHE  17   1.092   2.084  -0.637
  102    HZ   PHE  17           HZ       PHE  17  -0.823   3.488  -1.255
  103    HA   PRO  18           HA       PRO  18   6.551   9.730   1.980
  104    HB2  PRO  18           HB2      PRO  18   4.833   9.817   4.388
  105    HB3  PRO  18           HB1      PRO  18   5.449  11.150   3.407
  106    HG2  PRO  18           HG2      PRO  18   2.880  10.454   3.305
  107    HG3  PRO  18           HG1      PRO  18   3.748  10.957   1.845
  108    HD2  PRO  18           HD2      PRO  18   3.033   8.200   2.769
  109    HD3  PRO  18           HD1      PRO  18   2.953   8.898   1.139
  110    H    TRP  19           HN       TRP  19   8.012   9.715   3.803
  111    HA   TRP  19           HA       TRP  19   8.914   7.220   4.700
  112    HB2  TRP  19           HB2      TRP  19  10.248   9.356   4.597
  113    HB3  TRP  19           HB1      TRP  19   9.328   9.950   5.968
  114    HD1  TRP  19           HD1      TRP  19  12.160   7.570   5.058
  115    HE1  TRP  19           HE1      TRP  19  13.342   6.825   7.208
  116    HE3  TRP  19          3HE       TRP  19   8.929   9.524   8.411
  117    HZ2  TRP  19           HZ2      TRP  19  12.954   7.059  10.011
  118    HZ3  TRP  19           HZ3      TRP  19   9.380   9.244  10.847
  119    HH2  TRP  19          2HH       TRP  19  11.356   8.027  11.614
  120    HA   PRO  20           HA       PRO  20   9.690   6.072   6.195
  121    HB2  PRO  20           HB2      PRO  20   9.378   4.011   7.886
  122    HB3  PRO  20           HB1      PRO  20   9.950   5.594   8.420
  123    HG2  PRO  20           HG2      PRO  20   7.377   4.279   8.938
  124    HG3  PRO  20           HG1      PRO  20   8.124   5.644   9.777
  125    HD2  PRO  20           HD2      PRO  20   6.093   5.659   7.690
  126    HD3  PRO  20           HD1      PRO  20   6.667   7.011   8.689
  127    H    LEU  21           HN       LEU  21   6.894   5.723   4.820
  128    HA   LEU  21           HA       LEU  21   6.756   2.882   4.495
  129    HB2  LEU  21           HB2      LEU  21   5.302   5.182   3.212
  130    HB3  LEU  21           HB1      LEU  21   4.944   3.490   2.903
  131    HG   LEU  21           HG       LEU  21   4.732   4.738   5.651
  132   HD11  LEU  21          HD11      LEU  21   2.319   4.773   5.264
  133   HD12  LEU  21          HD12      LEU  21   2.581   4.269   3.591
  134   HD13  LEU  21          HD13      LEU  21   3.161   5.845   4.143
  135   HD21  LEU  21          HD21      LEU  21   3.653   2.233   4.433
  136   HD22  LEU  21          HD22      LEU  21   3.364   2.792   6.082
  137   HD23  LEU  21          HD23      LEU  21   4.996   2.320   5.580
  138    H    GLY  22           HN       GLY  22   7.357   5.682   2.369
  139    HA2  GLY  22           HA2      GLY  22   8.657   5.846   0.465
  140    HA3  GLY  22           HA1      GLY  22   9.480   4.375   0.980
  141    H    HIS  23           HN       HIS  23   9.471   3.465  -1.095
  142    HA   HIS  23           HA       HIS  23   6.932   2.995  -2.391
  143    HB2  HIS  23           HB2      HIS  23   9.099   3.359  -3.680
  144    HB3  HIS  23           HB1      HIS  23   9.628   1.790  -3.093
  145    HD1  HIS  23           HD1      HIS  23   7.800   3.392  -5.830
  146    HD2  HIS  23           HD2      HIS  23   7.998  -0.321  -4.039
  147    HE1  HIS  23           HE1      HIS  23   6.735   1.793  -7.465
  148    H    GLN  24           HN       GLN  24   5.663   1.606  -1.476
  149    HA   GLN  24           HA       GLN  24   6.789  -0.824  -0.233
  150    HB2  GLN  24           HB2      GLN  24   4.224   0.639   0.309
  151    HB3  GLN  24           HB1      GLN  24   4.628  -0.917   0.995
  152    HG2  GLN  24           HG2      GLN  24   6.220   1.587   1.418
  153    HG3  GLN  24           HG1      GLN  24   4.937   1.026   2.485
  154   HE21  GLN  24          1HE2      GLN  24   6.274   0.774   4.213
  155   HE22  GLN  24          2HE2      GLN  24   7.456  -0.464   4.353
  156    H    CYS  25           HN       CYS  25   6.126  -2.752  -0.949
  157    HA   CYS  25           HA       CYS  25   3.917  -2.870  -2.848
  158    HB2  CYS  25           HB2      CYS  25   6.249  -4.745  -2.378
  159    HB3  CYS  25           HB1      CYS  25   4.884  -5.130  -3.423
  160    H    PHE  26           HN       PHE  26   2.235  -4.248  -2.417
  161    HA   PHE  26           HA       PHE  26   2.131  -5.066   0.421
  162    HB2  PHE  26           HB2      PHE  26  -0.118  -3.962  -1.232
  163    HB3  PHE  26           HB1      PHE  26  -0.156  -4.327   0.485
  164    HD1  PHE  26           HD1      PHE  26   1.514  -3.047   1.961
  165    HD2  PHE  26           HD2      PHE  26   0.398  -1.840  -1.970
  166    HE1  PHE  26           HE1      PHE  26   2.250  -0.756   2.444
  167    HE2  PHE  26           HE2      PHE  26   1.126   0.396  -1.511
  168    HZ   PHE  26           HZ       PHE  26   2.058   0.975   0.707
  169    HA   PRO  27           HA       PRO  27   1.166  -9.016  -1.732
  170    HB2  PRO  27           HB2      PRO  27   1.495 -10.020   1.031
  171    HB3  PRO  27           HB1      PRO  27   2.275 -10.564  -0.458
  172    HG2  PRO  27           HG2      PRO  27   3.642  -9.187   1.369
  173    HG3  PRO  27           HG1      PRO  27   3.903  -8.914  -0.362
  174    HD2  PRO  27           HD2      PRO  27   2.335  -7.285   1.596
  175    HD3  PRO  27           HD1      PRO  27   3.439  -6.749   0.310
  176    H    ASP  28           HN       ASP  28  -0.237  -7.580   1.085
  177    HA   ASP  28           HA       ASP  28  -2.720  -9.136   0.665
  178    HB2  ASP  28           HB2      ASP  28  -1.702  -8.006   3.293
  179    HB3  ASP  28           HB1      ASP  28  -3.236  -8.824   3.064
  Start of MODEL    3
    1    H1   GLY   1           HN       GLY   1  -1.511  -6.401  -0.291
    2    HA2  GLY   1           HA2      GLY   1  -2.474  -4.354  -0.836
    3    HA3  GLY   1           HA1      GLY   1  -3.959  -4.892  -0.069
    4    H    PHE   2           HN       PHE   2  -3.555  -2.408   0.436
    5    HA   PHE   2           HA       PHE   2  -2.965  -2.317   3.257
    6    HB2  PHE   2           HB2      PHE   2  -0.731  -1.968   2.356
    7    HB3  PHE   2           HB1      PHE   2  -1.327  -0.723   1.278
    8    HD1  PHE   2           HD1      PHE   2  -1.217  -1.501   4.928
    9    HD2  PHE   2           HD2      PHE   2  -0.967   1.460   1.879
   10    HE1  PHE   2           HE1      PHE   2  -0.654   0.190   6.612
   11    HE2  PHE   2           HE2      PHE   2  -0.413   3.138   3.523
   12    HZ   PHE   2           HZ       PHE   2  -0.244   2.528   5.921
   13    H    CYS   3           HN       CYS   3  -4.303  -0.822   4.217
   14    HA   CYS   3           HA       CYS   3  -5.850   0.748   2.362
   15    HB2  CYS   3           HB2      CYS   3  -6.614  -0.255   5.111
   16    HB3  CYS   3           HB1      CYS   3  -7.638   0.692   4.042
   17    H    TRP   4           HN       TRP   4  -5.723   2.762   2.442
   18    HA   TRP   4           HA       TRP   4  -4.778   4.291   4.686
   19    HB2  TRP   4           HB2      TRP   4  -2.648   3.588   3.978
   20    HB3  TRP   4           HB1      TRP   4  -3.091   3.643   2.282
   21    HD1  TRP   4           HD1      TRP   4  -2.114   5.961   5.166
   22    HE1  TRP   4           HE1      TRP   4  -1.250   8.173   4.126
   23    HE3  TRP   4          3HE       TRP   4  -3.121   4.980   0.305
   24    HZ2  TRP   4           HZ2      TRP   4  -1.054   9.297   1.616
   25    HZ3  TRP   4           HZ3      TRP   4  -2.571   6.616  -1.382
   26    HH2  TRP   4          2HH       TRP   4  -1.547   8.780  -0.764
   27    H    HIS   5           HN       HIS   5  -4.895   6.693   4.191
   28    HA   HIS   5           HA       HIS   5  -5.988   8.475   3.528
   29    HB2  HIS   5           HB2      HIS   5  -4.534   7.590   1.510
   30    HB3  HIS   5           HB1      HIS   5  -6.117   7.508   0.721
   31    HD1  HIS   5           HD1      HIS   5  -6.949   9.734  -0.232
   32    HD2  HIS   5           HD2      HIS   5  -3.957  10.094   2.593
   33    HE1  HIS   5           HE1      HIS   5  -6.292  12.151  -0.282
   34    H    HIS   6           HN       HIS   6  -7.535   6.098   4.260
   35    HA   HIS   6           HA       HIS   6  -9.657   5.434   4.541
   36    HB2  HIS   6           HB2      HIS   6 -10.406   7.942   3.002
   37    HB3  HIS   6           HB1      HIS   6 -11.576   6.873   3.762
   38    HD1  HIS   6           HD1      HIS   6 -12.067   7.319   6.218
   39    HD2  HIS   6           HD2      HIS   6  -8.710   9.334   4.836
   40    HE1  HIS   6           HE1      HIS   6 -11.403   8.916   8.054
   41    H    SER   7           HN       SER   7  -8.062   5.282   1.876
   42    HA   SER   7           HA       SER   7 -10.104   3.832   0.357
   43    HB2  SER   7           HB2      SER   7  -7.506   5.089  -0.590
   44    HB3  SER   7           HB1      SER   7  -8.740   4.339  -1.605
   45    HG   SER   7           HG       SER   7  -9.787   6.266  -0.013
   46    H    CYS   8           HN       CYS   8  -8.293   2.252  -1.140
   47    HA   CYS   8           HA       CYS   8  -6.296   1.235   0.630
   48    HB2  CYS   8           HB2      CYS   8  -8.527   0.223   1.407
   49    HB3  CYS   8           HB1      CYS   8  -8.531  -0.600  -0.158
   50    H    VAL   9           HN       VAL   9  -4.871   0.063  -0.365
   51    HA   VAL   9           HA       VAL   9  -5.157  -0.067  -3.259
   52    HB   VAL   9           HB       VAL   9  -2.678  -0.353  -3.400
   53   HG11  VAL   9          HG11      VAL   9  -3.577   1.876  -3.687
   54   HG12  VAL   9          HG12      VAL   9  -2.027   1.900  -2.810
   55   HG13  VAL   9          3HG1      VAL   9  -3.541   2.105  -1.922
   56   HG21  VAL   9          HG21      VAL   9  -2.624   0.343  -0.469
   57   HG22  VAL   9          HG22      VAL   9  -1.246   0.268  -1.548
   58   HG23  VAL   9          HG23      VAL   9  -2.138  -1.214  -1.181
   59    HA   PRO  10           HA       PRO  10  -5.823  -4.337  -2.852
   60    HB2  PRO  10           HB2      PRO  10  -5.375  -5.113  -5.416
   61    HB3  PRO  10           HB1      PRO  10  -6.832  -4.266  -4.880
   62    HG2  PRO  10           HG2      PRO  10  -4.423  -3.191  -6.271
   63    HG3  PRO  10           HG1      PRO  10  -6.130  -2.788  -6.516
   64    HD2  PRO  10           HD2      PRO  10  -4.403  -1.238  -5.096
   65    HD3  PRO  10           HD1      PRO  10  -6.146  -1.302  -4.771
   66    H    SER  11           HN       SER  11  -4.850  -6.467  -3.219
   67    HA   SER  11           HA       SER  11  -2.178  -6.555  -2.444
   68    HB2  SER  11           HB2      SER  11  -2.587  -9.062  -2.971
   69    HB3  SER  11           HB1      SER  11  -3.497  -8.298  -1.673
   70    HG   SER  11           HG       SER  11  -5.260  -8.743  -2.734
   71    H    GLY  12           HN       GLY  12  -0.344  -6.752  -3.574
   72    HA2  GLY  12           HA2      GLY  12   0.904  -7.500  -5.469
   73    HA3  GLY  12           HA1      GLY  12  -0.524  -7.248  -6.468
   74    H    THR  13           HN       THR  13  -0.744  -4.709  -4.642
   75    HA   THR  13           HA       THR  13   0.347  -2.939  -6.583
   76    HB   THR  13           HB       THR  13  -0.825  -2.378  -3.888
   77    HG1  THR  13           HG1      THR  13  -2.511  -3.131  -4.817
   78   HG21  THR  13          HG21      THR  13   0.271  -0.398  -4.703
   79   HG22  THR  13          HG22      THR  13  -1.460  -0.150  -4.883
   80   HG23  THR  13          HG23      THR  13  -0.477  -0.561  -6.292
   81    H    CYS  14           HN       CYS  14   1.764  -1.401  -6.203
   82    HA   CYS  14           HA       CYS  14   3.577  -1.375  -3.942
   83    HB2  CYS  14           HB2      CYS  14   4.448  -1.523  -6.854
   84    HB3  CYS  14           HB1      CYS  14   5.515  -1.152  -5.510
   85    H    ALA  15           HN       ALA  15   3.793   0.735  -3.413
   86    HA   ALA  15           HA       ALA  15   3.399   2.747  -5.462
   87    HB1  ALA  15           HB1      ALA  15   1.533   2.561  -3.100
   88    HB2  ALA  15           HB2      ALA  15   1.109   2.243  -4.783
   89    HB3  ALA  15           HB3      ALA  15   1.581   3.867  -4.280
   90    H    ASP  16           HN       ASP  16   3.694   4.942  -4.575
   91    HA   ASP  16           HA       ASP  16   5.863   4.831  -2.624
   92    HB2  ASP  16           HB2      ASP  16   6.370   5.669  -4.881
   93    HB3  ASP  16           HB1      ASP  16   5.186   6.956  -4.659
   94    H    PHE  17           HN       PHE  17   5.072   5.168  -0.722
   95    HA   PHE  17           HA       PHE  17   3.034   7.219  -0.248
   96    HB2  PHE  17           HB2      PHE  17   4.090   4.955   1.466
   97    HB3  PHE  17           HB1      PHE  17   2.814   6.018   1.980
   98    HD1  PHE  17           HD1      PHE  17   0.534   5.771   1.043
   99    HD2  PHE  17           HD2      PHE  17   3.708   3.202  -0.190
  100    HE1  PHE  17           HE1      PHE  17  -1.068   4.246   0.034
  101    HE2  PHE  17           HE2      PHE  17   2.112   1.718  -1.188
  102    HZ   PHE  17           HZ       PHE  17  -0.298   2.215  -1.087
  103    HA   PRO  18           HA       PRO  18   6.110   9.746   1.841
  104    HB2  PRO  18           HB2      PRO  18   4.499   9.897   4.306
  105    HB3  PRO  18           HB1      PRO  18   4.978  11.189   3.204
  106    HG2  PRO  18           HG2      PRO  18   2.442  10.320   3.339
  107    HG3  PRO  18           HG1      PRO  18   3.165  10.864   1.815
  108    HD2  PRO  18           HD2      PRO  18   2.689   8.074   2.800
  109    HD3  PRO  18           HD1      PRO  18   2.482   8.745   1.168
  110    H    TRP  19           HN       TRP  19   7.618   9.783   3.639
  111    HA   TRP  19           HA       TRP  19   8.528   7.271   4.534
  112    HB2  TRP  19           HB2      TRP  19   9.865   9.422   4.303
  113    HB3  TRP  19           HB1      TRP  19   9.075   9.990   5.768
  114    HD1  TRP  19           HD1      TRP  19  11.764   7.604   4.537
  115    HE1  TRP  19           HE1      TRP  19  13.146   6.793   6.564
  116    HE3  TRP  19          3HE       TRP  19   8.913   9.529   8.234
  117    HZ2  TRP  19           HZ2      TRP  19  13.027   6.962   9.368
  118    HZ3  TRP  19           HZ3      TRP  19   9.593   9.181  10.594
  119    HH2  TRP  19          2HH       TRP  19  11.613   7.917  11.138
  120    HA   PRO  20           HA       PRO  20   9.423   6.201   6.140
  121    HB2  PRO  20           HB2      PRO  20   9.203   4.224   7.878
  122    HB3  PRO  20           HB1      PRO  20   9.624   5.855   8.415
  123    HG2  PRO  20           HG2      PRO  20   7.050   4.389   8.671
  124    HG3  PRO  20           HG1      PRO  20   7.774   5.593   9.748
  125    HD2  PRO  20           HD2      PRO  20   5.779   6.028   7.766
  126    HD3  PRO  20           HD1      PRO  20   6.615   7.255   8.735
  127    H    LEU  21           HN       LEU  21   6.531   5.795   4.952
  128    HA   LEU  21           HA       LEU  21   6.498   2.952   4.567
  129    HB2  LEU  21           HB2      LEU  21   4.900   5.210   3.382
  130    HB3  LEU  21           HB1      LEU  21   4.651   3.524   2.964
  131    HG   LEU  21           HG       LEU  21   4.342   4.590   5.774
  132   HD11  LEU  21          HD11      LEU  21   1.935   4.525   5.347
  133   HD12  LEU  21          HD12      LEU  21   2.245   4.099   3.662
  134   HD13  LEU  21          HD13      LEU  21   2.728   5.683   4.276
  135   HD21  LEU  21          HD21      LEU  21   3.430   2.086   4.403
  136   HD22  LEU  21          HD22      LEU  21   3.095   2.522   6.081
  137   HD23  LEU  21          HD23      LEU  21   4.757   2.198   5.560
  138    H    GLY  22           HN       GLY  22   6.897   5.796   2.454
  139    HA2  GLY  22           HA2      GLY  22   8.087   6.042   0.508
  140    HA3  GLY  22           HA1      GLY  22   9.076   4.687   1.046
  141    H    HIS  23           HN       HIS  23   9.175   3.687  -0.947
  142    HA   HIS  23           HA       HIS  23   6.686   2.985  -2.238
  143    HB2  HIS  23           HB2      HIS  23   8.783   3.579  -3.555
  144    HB3  HIS  23           HB1      HIS  23   9.470   2.064  -2.991
  145    HD1  HIS  23           HD1      HIS  23   7.203   3.496  -5.577
  146    HD2  HIS  23           HD2      HIS  23   8.262  -0.203  -4.040
  147    HE1  HIS  23           HE1      HIS  23   6.334   1.809  -7.213
  148    H    GLN  24           HN       GLN  24   5.574   1.547  -1.243
  149    HA   GLN  24           HA       GLN  24   6.893  -0.830  -0.087
  150    HB2  GLN  24           HB2      GLN  24   4.179   0.348   0.477
  151    HB3  GLN  24           HB1      GLN  24   4.801  -1.121   1.189
  152    HG2  GLN  24           HG2      GLN  24   6.013   1.603   1.569
  153    HG3  GLN  24           HG1      GLN  24   4.841   0.874   2.657
  154   HE21  GLN  24          1HE2      GLN  24   6.167   0.839   4.379
  155   HE22  GLN  24          2HE2      GLN  24   7.574  -0.156   4.517
  156    H    CYS  25           HN       CYS  25   6.090  -2.856  -0.611
  157    HA   CYS  25           HA       CYS  25   4.042  -2.989  -2.692
  158    HB2  CYS  25           HB2      CYS  25   6.441  -4.770  -2.194
  159    HB3  CYS  25           HB1      CYS  25   5.117  -5.223  -3.259
  160    H    PHE  26           HN       PHE  26   2.325  -4.376  -2.327
  161    HA   PHE  26           HA       PHE  26   2.204  -5.435   0.446
  162    HB2  PHE  26           HB2      PHE  26  -0.101  -4.262  -1.059
  163    HB3  PHE  26           HB1      PHE  26  -0.020  -4.677   0.645
  164    HD1  PHE  26           HD1      PHE  26   1.809  -3.403   2.007
  165    HD2  PHE  26           HD2      PHE  26   0.194  -2.080  -1.727
  166    HE1  PHE  26           HE1      PHE  26   2.496  -1.097   2.492
  167    HE2  PHE  26           HE2      PHE  26   0.881   0.146  -1.244
  168    HZ   PHE  26           HZ       PHE  26   2.014   0.687   0.818
  169    HA   PRO  27           HA       PRO  27   1.070  -9.158  -1.976
  170    HB2  PRO  27           HB2      PRO  27   1.234 -10.437   0.677
  171    HB3  PRO  27           HB1      PRO  27   2.128 -10.820  -0.796
  172    HG2  PRO  27           HG2      PRO  27   3.329  -9.665   1.305
  173    HG3  PRO  27           HG1      PRO  27   3.775  -9.259  -0.361
  174    HD2  PRO  27           HD2      PRO  27   2.047  -7.738   1.558
  175    HD3  PRO  27           HD1      PRO  27   3.299  -7.146   0.442
  176    H    ASP  28           HN       ASP  28  -0.345  -7.771   0.844
  177    HA   ASP  28           HA       ASP  28  -2.899  -9.155   0.355
  178    HB2  ASP  28           HB2      ASP  28  -3.332  -9.068   2.731
  179    HB3  ASP  28           HB1      ASP  28  -1.793  -9.880   2.460
  Start of MODEL    4
    1    H1   GLY   1           HN       GLY   1  -1.564  -6.563  -0.202
    2    HA2  GLY   1           HA2      GLY   1  -2.778  -4.627  -0.719
    3    HA3  GLY   1           HA1      GLY   1  -4.171  -5.323   0.099
    4    H    PHE   2           HN       PHE   2  -3.614  -2.656   0.473
    5    HA   PHE   2           HA       PHE   2  -3.088  -2.593   3.338
    6    HB2  PHE   2           HB2      PHE   2  -0.867  -2.406   2.445
    7    HB3  PHE   2           HB1      PHE   2  -1.376  -1.194   1.295
    8    HD1  PHE   2           HD1      PHE   2  -1.155  -1.756   4.984
    9    HD2  PHE   2           HD2      PHE   2  -0.915   0.982   1.742
   10    HE1  PHE   2           HE1      PHE   2  -0.351  -0.000   6.517
   11    HE2  PHE   2           HE2      PHE   2  -0.130   2.723   3.240
   12    HZ   PHE   2           HZ       PHE   2   0.160   2.243   5.652
   13    H    CYS   3           HN       CYS   3  -4.159  -0.854   4.347
   14    HA   CYS   3           HA       CYS   3  -5.677   0.829   2.579
   15    HB2  CYS   3           HB2      CYS   3  -6.165  -0.010   5.433
   16    HB3  CYS   3           HB1      CYS   3  -7.067   1.270   4.635
   17    H    TRP   4           HN       TRP   4  -5.448   2.809   2.548
   18    HA   TRP   4           HA       TRP   4  -3.828   4.284   4.452
   19    HB2  TRP   4           HB2      TRP   4  -2.060   3.333   3.243
   20    HB3  TRP   4           HB1      TRP   4  -2.874   3.549   1.702
   21    HD1  TRP   4           HD1      TRP   4  -1.158   5.647   4.426
   22    HE1  TRP   4           HE1      TRP   4  -0.258   7.768   3.319
   23    HE3  TRP   4          3HE       TRP   4  -3.016   4.889  -0.224
   24    HZ2  TRP   4           HZ2      TRP   4  -0.363   8.936   0.847
   25    HZ3  TRP   4           HZ3      TRP   4  -2.581   6.520  -1.953
   26    HH2  TRP   4          2HH       TRP   4  -1.265   8.552  -1.472
   27    H    HIS   5           HN       HIS   5  -3.943   6.595   4.132
   28    HA   HIS   5           HA       HIS   5  -5.425   8.317   4.048
   29    HB2  HIS   5           HB2      HIS   5  -4.080   7.871   1.493
   30    HB3  HIS   5           HB1      HIS   5  -5.297   9.170   1.491
   31    HD1  HIS   5           HD1      HIS   5  -3.299  10.916   1.141
   32    HD2  HIS   5           HD2      HIS   5  -3.064   8.661   4.629
   33    HE1  HIS   5           HE1      HIS   5  -1.520  11.983   2.540
   34    H    HIS   6           HN       HIS   6  -7.189   6.599   4.446
   35    HA   HIS   6           HA       HIS   6  -9.362   6.067   4.317
   36    HB2  HIS   6           HB2      HIS   6  -9.506   8.502   2.538
   37    HB3  HIS   6           HB1      HIS   6 -10.921   7.582   3.034
   38    HD1  HIS   6           HD1      HIS   6 -11.660   7.803   5.532
   39    HD2  HIS   6           HD2      HIS   6  -8.372  10.115   4.481
   40    HE1  HIS   6           HE1      HIS   6 -11.316   9.412   7.423
   41    H    SER   7           HN       SER   7  -7.419   5.290   2.003
   42    HA   SER   7           HA       SER   7  -9.482   3.946   0.405
   43    HB2  SER   7           HB2      SER   7  -7.974   4.253  -1.544
   44    HB3  SER   7           HB1      SER   7  -8.600   5.783  -0.923
   45    HG   SER   7           HG       SER   7  -6.406   5.502   0.374
   46    H    CYS   8           HN       CYS   8  -8.330   2.162  -0.858
   47    HA   CYS   8           HA       CYS   8  -6.271   0.990   0.793
   48    HB2  CYS   8           HB2      CYS   8  -8.905  -0.291   0.141
   49    HB3  CYS   8           HB1      CYS   8  -7.515  -1.133   0.886
   50    H    VAL   9           HN       VAL   9  -4.829   0.005  -0.328
   51    HA   VAL   9           HA       VAL   9  -5.310  -0.234  -3.169
   52    HB   VAL   9           HB       VAL   9  -2.846  -0.539  -3.375
   53   HG11  VAL   9          HG11      VAL   9  -3.824   1.675  -3.738
   54   HG12  VAL   9          HG12      VAL   9  -2.261   1.814  -2.893
   55   HG13  VAL   9          3HG1      VAL   9  -3.769   1.966  -1.986
   56   HG21  VAL   9          HG21      VAL   9  -2.752   0.317  -0.485
   57   HG22  VAL   9          HG22      VAL   9  -1.388   0.213  -1.582
   58   HG23  VAL   9          HG23      VAL   9  -2.248  -1.263  -1.127
   59    HA   PRO  10           HA       PRO  10  -5.897  -4.519  -2.719
   60    HB2  PRO  10           HB2      PRO  10  -5.535  -5.300  -5.307
   61    HB3  PRO  10           HB1      PRO  10  -6.989  -4.477  -4.732
   62    HG2  PRO  10           HG2      PRO  10  -4.627  -3.363  -6.179
   63    HG3  PRO  10           HG1      PRO  10  -6.346  -2.991  -6.393
   64    HD2  PRO  10           HD2      PRO  10  -4.640  -1.388  -5.016
   65    HD3  PRO  10           HD1      PRO  10  -6.365  -1.507  -4.629
   66    H    SER  11           HN       SER  11  -4.866  -6.646  -3.185
   67    HA   SER  11           HA       SER  11  -2.134  -6.590  -2.437
   68    HB2  SER  11           HB2      SER  11  -3.570  -8.988  -3.583
   69    HB3  SER  11           HB1      SER  11  -2.311  -8.894  -2.332
   70    HG   SER  11           HG       SER  11  -4.312  -7.455  -1.452
   71    H    GLY  12           HN       GLY  12  -0.337  -6.720  -3.751
   72    HA2  GLY  12           HA2      GLY  12   0.736  -7.332  -5.808
   73    HA3  GLY  12           HA1      GLY  12  -0.813  -7.156  -6.620
   74    H    THR  13           HN       THR  13  -0.758  -4.654  -4.578
   75    HA   THR  13           HA       THR  13   0.077  -2.814  -6.627
   76    HB   THR  13           HB       THR  13  -0.880  -2.289  -3.832
   77    HG1  THR  13           HG1      THR  13  -2.614  -3.120  -4.687
   78   HG21  THR  13          HG21      THR  13  -0.813  -0.454  -6.243
   79   HG22  THR  13          HG22      THR  13   0.180  -0.326  -4.788
   80   HG23  THR  13          HG23      THR  13  -1.554  -0.059  -4.689
   81    H    CYS  14           HN       CYS  14   1.570  -1.271  -6.289
   82    HA   CYS  14           HA       CYS  14   3.491  -1.319  -4.131
   83    HB2  CYS  14           HB2      CYS  14   4.323  -1.569  -7.056
   84    HB3  CYS  14           HB1      CYS  14   5.409  -1.251  -5.720
   85    H    ALA  15           HN       ALA  15   3.874   0.770  -3.677
   86    HA   ALA  15           HA       ALA  15   3.587   2.780  -5.745
   87    HB1  ALA  15           HB1      ALA  15   1.712   2.692  -3.396
   88    HB2  ALA  15           HB2      ALA  15   1.263   2.428  -5.082
   89    HB3  ALA  15           HB3      ALA  15   1.821   4.020  -4.550
   90    H    ASP  16           HN       ASP  16   3.986   4.981  -4.829
   91    HA   ASP  16           HA       ASP  16   6.051   4.758  -2.769
   92    HB2  ASP  16           HB2      ASP  16   6.690   5.710  -4.996
   93    HB3  ASP  16           HB1      ASP  16   5.544   7.015  -4.721
   94    H    PHE  17           HN       PHE  17   5.190   5.046  -0.868
   95    HA   PHE  17           HA       PHE  17   3.024   6.965  -0.479
   96    HB2  PHE  17           HB2      PHE  17   4.080   4.749   1.285
   97    HB3  PHE  17           HB1      PHE  17   2.713   5.730   1.699
   98    HD1  PHE  17           HD1      PHE  17   3.899   2.997  -0.362
   99    HD2  PHE  17           HD2      PHE  17   0.578   5.504   0.491
  100    HE1  PHE  17           HE1      PHE  17   2.443   1.493  -1.560
  101    HE2  PHE  17           HE2      PHE  17  -0.880   3.986  -0.712
  102    HZ   PHE  17           HZ       PHE  17   0.028   1.982  -1.751
  103    HA   PRO  18           HA       PRO  18   5.522   9.797   1.904
  104    HB2  PRO  18           HB2      PRO  18   3.557   9.625   4.115
  105    HB3  PRO  18           HB1      PRO  18   4.067  11.037   3.184
  106    HG2  PRO  18           HG2      PRO  18   1.662   9.972   2.805
  107    HG3  PRO  18           HG1      PRO  18   2.618  10.560   1.430
  108    HD2  PRO  18           HD2      PRO  18   2.237   7.738   2.388
  109    HD3  PRO  18           HD1      PRO  18   2.196   8.381   0.734
  110    H    TRP  19           HN       TRP  19   6.741  10.036   3.862
  111    HA   TRP  19           HA       TRP  19   7.925   7.731   4.928
  112    HB2  TRP  19           HB2      TRP  19   8.918  10.027   4.894
  113    HB3  TRP  19           HB1      TRP  19   7.766  10.511   6.126
  114    HD1  TRP  19           HD1      TRP  19  10.991   8.529   5.645
  115    HE1  TRP  19           HE1      TRP  19  12.037   8.096   7.958
  116    HE3  TRP  19          3HE       TRP  19   7.183  10.150   8.506
  117    HZ2  TRP  19           HZ2      TRP  19  11.318   8.411  10.673
  118    HZ3  TRP  19           HZ3      TRP  19   7.397  10.073  10.997
  119    HH2  TRP  19          2HH       TRP  19   9.433   9.211  12.040
  120    HA   PRO  20           HA       PRO  20   8.709   6.698   6.449
  121    HB2  PRO  20           HB2      PRO  20   8.705   4.766   8.261
  122    HB3  PRO  20           HB1      PRO  20   8.831   6.459   8.750
  123    HG2  PRO  20           HG2      PRO  20   6.540   4.594   8.997
  124    HG3  PRO  20           HG1      PRO  20   6.949   6.007   9.983
  125    HD2  PRO  20           HD2      PRO  20   5.092   5.834   7.786
  126    HD3  PRO  20           HD1      PRO  20   5.473   7.251   8.784
  127    H    LEU  21           HN       LEU  21   6.170   5.891   4.927
  128    HA   LEU  21           HA       LEU  21   6.391   3.019   4.781
  129    HB2  LEU  21           HB2      LEU  21   4.754   5.049   3.295
  130    HB3  LEU  21           HB1      LEU  21   4.705   3.334   2.940
  131    HG   LEU  21           HG       LEU  21   4.002   4.454   5.655
  132   HD11  LEU  21          HD11      LEU  21   2.495   5.384   3.949
  133   HD12  LEU  21          HD12      LEU  21   1.671   4.185   4.957
  134   HD13  LEU  21          HD13      LEU  21   2.222   3.751   3.334
  135   HD21  LEU  21          HD21      LEU  21   4.599   2.081   5.552
  136   HD22  LEU  21          HD22      LEU  21   3.411   1.878   4.255
  137   HD23  LEU  21          HD23      LEU  21   2.872   2.308   5.879
  138    H    GLY  22           HN       GLY  22   6.799   5.742   2.532
  139    HA2  GLY  22           HA2      GLY  22   8.256   5.969   0.754
  140    HA3  GLY  22           HA1      GLY  22   9.120   4.550   1.344
  141    H    HIS  23           HN       HIS  23   9.259   3.640  -0.775
  142    HA   HIS  23           HA       HIS  23   6.746   3.035  -2.072
  143    HB2  HIS  23           HB2      HIS  23   8.826   3.548  -3.442
  144    HB3  HIS  23           HB1      HIS  23   9.503   2.028  -2.867
  145    HD1  HIS  23           HD1      HIS  23   7.567   3.408  -5.648
  146    HD2  HIS  23           HD2      HIS  23   7.852  -0.183  -3.629
  147    HE1  HIS  23           HE1      HIS  23   6.510   1.694  -7.154
  148    H    GLN  24           HN       GLN  24   5.579   1.400  -1.618
  149    HA   GLN  24           HA       GLN  24   6.794  -0.916  -0.270
  150    HB2  GLN  24           HB2      GLN  24   4.149   0.392   0.325
  151    HB3  GLN  24           HB1      GLN  24   4.685  -1.126   1.007
  152    HG2  GLN  24           HG2      GLN  24   6.058   1.516   1.422
  153    HG3  GLN  24           HG1      GLN  24   4.872   0.822   2.519
  154   HE21  GLN  24          1HE2      GLN  24   6.230   0.665   4.209
  155   HE22  GLN  24          2HE2      GLN  24   7.563  -0.425   4.283
  156    H    CYS  25           HN       CYS  25   5.958  -2.895  -0.836
  157    HA   CYS  25           HA       CYS  25   3.876  -2.965  -2.890
  158    HB2  CYS  25           HB2      CYS  25   6.193  -4.847  -2.374
  159    HB3  CYS  25           HB1      CYS  25   4.838  -5.273  -3.413
  160    H    PHE  26           HN       PHE  26   2.171  -4.458  -2.541
  161    HA   PHE  26           HA       PHE  26   2.058  -5.368   0.275
  162    HB2  PHE  26           HB2      PHE  26  -0.256  -4.259  -1.279
  163    HB3  PHE  26           HB1      PHE  26  -0.215  -4.658   0.433
  164    HD1  PHE  26           HD1      PHE  26   1.635  -3.422   1.803
  165    HD2  PHE  26           HD2      PHE  26   0.072  -2.105  -1.934
  166    HE1  PHE  26           HE1      PHE  26   2.398  -1.132   2.270
  167    HE2  PHE  26           HE2      PHE  26   0.824   0.112  -1.477
  168    HZ   PHE  26           HZ       PHE  26   1.972   0.650   0.571
  169    HA   PRO  27           HA       PRO  27   1.153  -9.214  -2.020
  170    HB2  PRO  27           HB2      PRO  27   1.531 -10.328   0.686
  171    HB3  PRO  27           HB1      PRO  27   2.328 -10.777  -0.823
  172    HG2  PRO  27           HG2      PRO  27   3.638  -9.448   1.091
  173    HG3  PRO  27           HG1      PRO  27   3.923  -9.123  -0.627
  174    HD2  PRO  27           HD2      PRO  27   2.329  -7.551   1.353
  175    HD3  PRO  27           HD1      PRO  27   3.415  -6.988   0.066
  176    H    ASP  28           HN       ASP  28  -0.241  -7.784   0.792
  177    HA   ASP  28           HA       ASP  28  -2.654  -9.470   0.509
  178    HB2  ASP  28           HB2      ASP  28  -1.558  -8.304   3.079
  179    HB3  ASP  28           HB1      ASP  28  -3.066  -9.187   2.921
  Start of MODEL    5
    1    H1   GLY   1           HN       GLY   1  -1.408  -6.538  -0.169
    2    HA2  GLY   1           HA2      GLY   1  -2.646  -4.616  -0.633
    3    HA3  GLY   1           HA1      GLY   1  -4.043  -5.365   0.118
    4    H    PHE   2           HN       PHE   2  -3.505  -2.738   0.565
    5    HA   PHE   2           HA       PHE   2  -3.202  -2.688   3.443
    6    HB2  PHE   2           HB2      PHE   2  -0.901  -2.486   2.911
    7    HB3  PHE   2           HB1      PHE   2  -1.223  -1.374   1.600
    8    HD1  PHE   2           HD1      PHE   2  -1.585  -1.610   5.318
    9    HD2  PHE   2           HD2      PHE   2  -0.807   0.823   1.924
   10    HE1  PHE   2           HE1      PHE   2  -1.056   0.288   6.797
   11    HE2  PHE   2           HE2      PHE   2  -0.288   2.701   3.350
   12    HZ   PHE   2           HZ       PHE   2  -0.406   2.458   5.823
   13    H    CYS   3           HN       CYS   3  -4.322  -0.932   4.365
   14    HA   CYS   3           HA       CYS   3  -5.738   0.665   2.427
   15    HB2  CYS   3           HB2      CYS   3  -6.538  -0.102   5.233
   16    HB3  CYS   3           HB1      CYS   3  -7.468   0.935   4.158
   17    H    TRP   4           HN       TRP   4  -5.361   2.670   2.350
   18    HA   TRP   4           HA       TRP   4  -4.185   4.115   4.570
   19    HB2  TRP   4           HB2      TRP   4  -2.194   3.462   3.578
   20    HB3  TRP   4           HB1      TRP   4  -2.862   3.494   1.953
   21    HD1  TRP   4           HD1      TRP   4  -1.220   5.758   4.566
   22    HE1  TRP   4           HE1      TRP   4  -0.635   7.987   3.417
   23    HE3  TRP   4          3HE       TRP   4  -3.479   4.936   0.099
   24    HZ2  TRP   4           HZ2      TRP   4  -1.105   9.192   1.004
   25    HZ3  TRP   4           HZ3      TRP   4  -3.384   6.603  -1.615
   26    HH2  TRP   4          2HH       TRP   4  -2.202   8.772  -1.220
   27    H    HIS   5           HN       HIS   5  -4.335   6.442   4.348
   28    HA   HIS   5           HA       HIS   5  -5.902   8.067   4.271
   29    HB2  HIS   5           HB2      HIS   5  -4.190   8.131   1.894
   30    HB3  HIS   5           HB1      HIS   5  -5.476   9.345   2.009
   31    HD1  HIS   5           HD1      HIS   5  -3.992  11.351   2.559
   32    HD2  HIS   5           HD2      HIS   5  -3.353   8.115   5.070
   33    HE1  HIS   5           HE1      HIS   5  -2.536  12.196   4.438
   34    H    HIS   6           HN       HIS   6  -7.678   6.586   4.353
   35    HA   HIS   6           HA       HIS   6  -9.868   6.269   4.019
   36    HB2  HIS   6           HB2      HIS   6  -9.694   8.635   2.129
   37    HB3  HIS   6           HB1      HIS   6 -11.189   7.920   2.712
   38    HD1  HIS   6           HD1      HIS   6 -11.621   8.218   5.396
   39    HD2  HIS   6           HD2      HIS   6  -8.570  10.500   3.733
   40    HE1  HIS   6           HE1      HIS   6 -11.108  10.022   7.070
   41    H    SER   7           HN       SER   7  -7.702   5.432   1.890
   42    HA   SER   7           HA       SER   7  -9.645   4.214   0.075
   43    HB2  SER   7           HB2      SER   7  -6.840   5.174  -0.547
   44    HB3  SER   7           HB1      SER   7  -7.986   4.471  -1.689
   45    HG   SER   7           HG       SER   7  -7.980   6.974  -0.451
   46    H    CYS   8           HN       CYS   8  -8.136   2.342  -1.082
   47    HA   CYS   8           HA       CYS   8  -6.249   1.260   0.755
   48    HB2  CYS   8           HB2      CYS   8  -8.559   0.463   1.538
   49    HB3  CYS   8           HB1      CYS   8  -8.642  -0.398  -0.004
   50    H    VAL   9           HN       VAL   9  -4.961  -0.242  -0.204
   51    HA   VAL   9           HA       VAL   9  -5.265  -0.351  -3.089
   52    HB   VAL   9           HB       VAL   9  -2.777  -0.601  -3.243
   53   HG11  VAL   9          HG11      VAL   9  -3.792   1.585  -3.741
   54   HG12  VAL   9          HG12      VAL   9  -2.240   1.787  -2.896
   55   HG13  VAL   9          3HG1      VAL   9  -3.737   1.991  -2.012
   56   HG21  VAL   9          HG21      VAL   9  -2.769   0.431  -0.422
   57   HG22  VAL   9          HG22      VAL   9  -1.369   0.262  -1.473
   58   HG23  VAL   9          HG23      VAL   9  -2.235  -1.186  -0.932
   59    HA   PRO  10           HA       PRO  10  -5.793  -4.659  -2.510
   60    HB2  PRO  10           HB2      PRO  10  -5.591  -5.417  -5.121
   61    HB3  PRO  10           HB1      PRO  10  -7.015  -4.620  -4.447
   62    HG2  PRO  10           HG2      PRO  10  -4.790  -3.494  -6.067
   63    HG3  PRO  10           HG1      PRO  10  -6.520  -3.119  -6.125
   64    HD2  PRO  10           HD2      PRO  10  -4.654  -1.554  -4.892
   65    HD3  PRO  10           HD1      PRO  10  -6.352  -1.586  -4.403
   66    H    SER  11           HN       SER  11  -4.776  -6.792  -3.048
   67    HA   SER  11           HA       SER  11  -2.064  -6.796  -2.386
   68    HB2  SER  11           HB2      SER  11  -3.440  -9.125  -3.721
   69    HB3  SER  11           HB1      SER  11  -2.238  -9.072  -2.414
   70    HG   SER  11           HG       SER  11  -4.543  -9.524  -1.915
   71    H    GLY  12           HN       GLY  12  -0.297  -6.711  -3.633
   72    HA2  GLY  12           HA2      GLY  12   0.940  -7.304  -5.600
   73    HA3  GLY  12           HA1      GLY  12  -0.547  -7.153  -6.532
   74    H    THR  13           HN       THR  13  -0.831  -4.670  -4.591
   75    HA   THR  13           HA       THR  13   0.058  -2.807  -6.562
   76    HB   THR  13           HB       THR  13  -0.992  -2.275  -3.799
   77    HG1  THR  13           HG1      THR  13  -2.619  -3.297  -4.751
   78   HG21  THR  13          HG21      THR  13  -0.956  -0.503  -6.255
   79   HG22  THR  13          HG22      THR  13  -0.005  -0.288  -4.777
   80   HG23  THR  13          HG23      THR  13  -1.749  -0.103  -4.732
   81    H    CYS  14           HN       CYS  14   1.474  -1.209  -6.217
   82    HA   CYS  14           HA       CYS  14   3.353  -1.239  -4.014
   83    HB2  CYS  14           HB2      CYS  14   4.243  -1.202  -6.935
   84    HB3  CYS  14           HB1      CYS  14   5.268  -1.002  -5.539
   85    H    ALA  15           HN       ALA  15   3.591   0.839  -3.438
   86    HA   ALA  15           HA       ALA  15   3.113   2.859  -5.439
   87    HB1  ALA  15           HB1      ALA  15   0.877   2.341  -4.609
   88    HB2  ALA  15           HB2      ALA  15   1.372   3.981  -4.190
   89    HB3  ALA  15           HB3      ALA  15   1.407   2.710  -2.968
   90    H    ASP  16           HN       ASP  16   3.751   4.876  -4.843
   91    HA   ASP  16           HA       ASP  16   5.861   4.880  -2.856
   92    HB2  ASP  16           HB2      ASP  16   6.381   5.714  -5.091
   93    HB3  ASP  16           HB1      ASP  16   5.073   6.877  -4.975
   94    H    PHE  17           HN       PHE  17   5.214   5.261  -0.926
   95    HA   PHE  17           HA       PHE  17   3.294   7.408  -0.513
   96    HB2  PHE  17           HB2      PHE  17   3.959   5.013   1.209
   97    HB3  PHE  17           HB1      PHE  17   2.860   6.229   1.706
   98    HD1  PHE  17           HD1      PHE  17   2.842   3.054   0.439
   99    HD2  PHE  17           HD2      PHE  17   1.111   6.857  -0.339
  100    HE1  PHE  17           HE1      PHE  17   0.944   1.986  -0.670
  101    HE2  PHE  17           HE2      PHE  17  -0.769   5.772  -1.450
  102    HZ   PHE  17           HZ       PHE  17  -0.859   3.333  -1.612
  103    HA   PRO  18           HA       PRO  18   6.459   9.633   1.636
  104    HB2  PRO  18           HB2      PRO  18   4.704  10.151   3.932
  105    HB3  PRO  18           HB1      PRO  18   5.360  11.290   2.755
  106    HG2  PRO  18           HG2      PRO  18   2.746  10.632   2.825
  107    HG3  PRO  18           HG1      PRO  18   3.587  11.035   1.319
  108    HD2  PRO  18           HD2      PRO  18   2.838   8.332   2.394
  109    HD3  PRO  18           HD1      PRO  18   2.796   8.948   0.730
  110    H    TRP  19           HN       TRP  19   7.778   9.599   3.523
  111    HA   TRP  19           HA       TRP  19   8.199   7.090   4.735
  112    HB2  TRP  19           HB2      TRP  19   9.851   9.046   4.457
  113    HB3  TRP  19           HB1      TRP  19   9.050   9.787   5.837
  114    HD1  TRP  19           HD1      TRP  19  11.395   6.931   4.906
  115    HE1  TRP  19           HE1      TRP  19  12.477   6.015   7.047
  116    HE3  TRP  19          3HE       TRP  19   8.682   9.526   8.298
  117    HZ2  TRP  19           HZ2      TRP  19  12.212   6.368   9.830
  118    HZ3  TRP  19           HZ3      TRP  19   9.147   9.201  10.712
  119    HH2  TRP  19          2HH       TRP  19  10.875   7.651  11.446
  120    HA   PRO  20           HA       PRO  20   8.806   6.185   6.715
  121    HB2  PRO  20           HB2      PRO  20   7.958   4.332   8.408
  122    HB3  PRO  20           HB1      PRO  20   8.501   5.919   8.968
  123    HG2  PRO  20           HG2      PRO  20   5.728   4.861   8.686
  124    HG3  PRO  20           HG1      PRO  20   6.396   5.947   9.912
  125    HD2  PRO  20           HD2      PRO  20   4.917   6.703   7.645
  126    HD3  PRO  20           HD1      PRO  20   5.864   7.780   8.686
  127    H    LEU  21           HN       LEU  21   6.031   5.884   4.983
  128    HA   LEU  21           HA       LEU  21   6.018   3.031   4.765
  129    HB2  LEU  21           HB2      LEU  21   4.635   5.230   3.263
  130    HB3  LEU  21           HB1      LEU  21   4.492   3.545   2.802
  131    HG   LEU  21           HG       LEU  21   3.674   4.596   5.519
  132   HD11  LEU  21          HD11      LEU  21   2.301   5.599   3.740
  133   HD12  LEU  21          HD12      LEU  21   1.388   4.390   4.662
  134   HD13  LEU  21          HD13      LEU  21   2.042   3.985   3.073
  135   HD21  LEU  21          HD21      LEU  21   2.481   2.485   5.625
  136   HD22  LEU  21          HD22      LEU  21   4.219   2.212   5.391
  137   HD23  LEU  21          HD23      LEU  21   3.096   2.084   4.023
  138    H    GLY  22           HN       GLY  22   6.860   5.696   2.579
  139    HA2  GLY  22           HA2      GLY  22   8.504   5.768   0.961
  140    HA3  GLY  22           HA1      GLY  22   9.085   4.205   1.532
  141    H    HIS  23           HN       HIS  23   9.234   3.363  -0.613
  142    HA   HIS  23           HA       HIS  23   6.679   3.088  -1.975
  143    HB2  HIS  23           HB2      HIS  23   8.810   3.579  -3.329
  144    HB3  HIS  23           HB1      HIS  23   9.340   1.955  -2.900
  145    HD1  HIS  23           HD1      HIS  23   7.257   3.794  -5.312
  146    HD2  HIS  23           HD2      HIS  23   7.730  -0.070  -3.955
  147    HE1  HIS  23           HE1      HIS  23   5.987   2.329  -6.946
  148    H    GLN  24           HN       GLN  24   5.464   1.528  -1.406
  149    HA   GLN  24           HA       GLN  24   6.642  -0.865  -0.145
  150    HB2  GLN  24           HB2      GLN  24   4.026   0.528   0.316
  151    HB3  GLN  24           HB1      GLN  24   4.430  -1.041   0.981
  152    HG2  GLN  24           HG2      GLN  24   6.073   1.399   1.514
  153    HG3  GLN  24           HG1      GLN  24   4.660   0.981   2.477
  154   HE21  GLN  24          1HE2      GLN  24   5.823   0.689   4.291
  155   HE22  GLN  24          2HE2      GLN  24   6.907  -0.637   4.539
  156    H    CYS  25           HN       CYS  25   6.105  -2.779  -1.014
  157    HA   CYS  25           HA       CYS  25   3.879  -2.883  -2.905
  158    HB2  CYS  25           HB2      CYS  25   6.235  -4.733  -2.508
  159    HB3  CYS  25           HB1      CYS  25   4.854  -5.144  -3.518
  160    H    PHE  26           HN       PHE  26   2.199  -4.223  -2.513
  161    HA   PHE  26           HA       PHE  26   2.071  -5.173   0.276
  162    HB2  PHE  26           HB2      PHE  26  -0.177  -4.100  -1.408
  163    HB3  PHE  26           HB1      PHE  26  -0.235  -4.480   0.306
  164    HD1  PHE  26           HD1      PHE  26   1.377  -3.182   1.822
  165    HD2  PHE  26           HD2      PHE  26   0.324  -1.956  -2.115
  166    HE1  PHE  26           HE1      PHE  26   2.069  -0.890   2.341
  167    HE2  PHE  26           HE2      PHE  26   1.008   0.299  -1.613
  168    HZ   PHE  26           HZ       PHE  26   1.887   0.857   0.637
  169    HA   PRO  27           HA       PRO  27   1.419  -9.037  -2.134
  170    HB2  PRO  27           HB2      PRO  27   1.807 -10.188   0.570
  171    HB3  PRO  27           HB1      PRO  27   2.629 -10.581  -0.941
  172    HG2  PRO  27           HG2      PRO  27   3.892  -9.224   0.959
  173    HG3  PRO  27           HG1      PRO  27   4.120  -8.812  -0.749
  174    HD2  PRO  27           HD2      PRO  27   2.419  -7.464   1.313
  175    HD3  PRO  27           HD1      PRO  27   3.489  -6.745   0.087
  176    H    ASP  28           HN       ASP  28  -0.167  -7.835   0.682
  177    HA   ASP  28           HA       ASP  28  -2.522  -9.472   0.061
  178    HB2  ASP  28           HB2      ASP  28  -3.055  -9.732   2.440
  179    HB3  ASP  28           HB1      ASP  28  -1.466 -10.400   2.100
  Start of MODEL    6
    1    H1   GLY   1           HN       GLY   1  -1.636  -6.593  -0.329
    2    HA2  GLY   1           HA2      GLY   1  -2.887  -4.693  -0.788
    3    HA3  GLY   1           HA1      GLY   1  -4.244  -5.429   0.052
    4    H    PHE   2           HN       PHE   2  -3.559  -2.723   0.331
    5    HA   PHE   2           HA       PHE   2  -3.248  -2.675   3.211
    6    HB2  PHE   2           HB2      PHE   2  -0.955  -2.528   2.531
    7    HB3  PHE   2           HB1      PHE   2  -1.332  -1.311   1.331
    8    HD1  PHE   2           HD1      PHE   2  -0.959   0.861   1.820
    9    HD2  PHE   2           HD2      PHE   2  -1.464  -1.885   5.009
   10    HE1  PHE   2           HE1      PHE   2  -0.367   2.612   3.372
   11    HE2  PHE   2           HE2      PHE   2  -0.878  -0.130   6.621
   12    HZ   PHE   2           HZ       PHE   2  -0.314   2.141   5.817
   13    H    CYS   3           HN       CYS   3  -4.458  -1.040   4.095
   14    HA   CYS   3           HA       CYS   3  -5.735   0.657   2.164
   15    HB2  CYS   3           HB2      CYS   3  -6.727  -0.228   4.883
   16    HB3  CYS   3           HB1      CYS   3  -7.580   0.847   3.784
   17    H    TRP   4           HN       TRP   4  -5.531   2.707   2.333
   18    HA   TRP   4           HA       TRP   4  -4.390   4.017   4.636
   19    HB2  TRP   4           HB2      TRP   4  -2.355   3.277   3.745
   20    HB3  TRP   4           HB1      TRP   4  -2.887   3.493   2.087
   21    HD1  TRP   4           HD1      TRP   4  -1.524   5.493   5.074
   22    HE1  TRP   4           HE1      TRP   4  -0.634   7.738   4.155
   23    HE3  TRP   4          3HE       TRP   4  -3.029   5.020   0.245
   24    HZ2  TRP   4           HZ2      TRP   4  -0.601   9.083   1.744
   25    HZ3  TRP   4           HZ3      TRP   4  -2.539   6.767  -1.340
   26    HH2  TRP   4          2HH       TRP   4  -1.326   8.824  -0.635
   27    H    HIS   5           HN       HIS   5  -4.421   6.443   4.408
   28    HA   HIS   5           HA       HIS   5  -5.511   8.337   4.053
   29    HB2  HIS   5           HB2      HIS   5  -3.988   7.855   1.958
   30    HB3  HIS   5           HB1      HIS   5  -5.540   7.802   1.122
   31    HD1  HIS   5           HD1      HIS   5  -6.175  10.051   0.204
   32    HD2  HIS   5           HD2      HIS   5  -3.930  10.214   3.670
   33    HE1  HIS   5           HE1      HIS   5  -5.836  12.503   0.662
   34    H    HIS   6           HN       HIS   6  -7.257   6.027   4.373
   35    HA   HIS   6           HA       HIS   6  -9.390   5.434   4.387
   36    HB2  HIS   6           HB2      HIS   6  -9.884   8.241   3.372
   37    HB3  HIS   6           HB1      HIS   6 -11.201   7.108   3.657
   38    HD1  HIS   6           HD1      HIS   6 -11.703   6.489   6.159
   39    HD2  HIS   6           HD2      HIS   6  -8.721   9.333   5.641
   40    HE1  HIS   6           HE1      HIS   6 -11.305   7.507   8.434
   41    H    SER   7           HN       SER   7  -7.641   5.395   1.913
   42    HA   SER   7           HA       SER   7  -9.665   4.281   0.109
   43    HB2  SER   7           HB2      SER   7  -6.860   5.293  -0.481
   44    HB3  SER   7           HB1      SER   7  -8.027   4.707  -1.669
   45    HG   SER   7           HG       SER   7  -9.389   6.401  -1.023
   46    H    CYS   8           HN       CYS   8  -8.086   2.495  -1.288
   47    HA   CYS   8           HA       CYS   8  -6.257   1.281   0.531
   48    HB2  CYS   8           HB2      CYS   8  -8.580   0.458   1.162
   49    HB3  CYS   8           HB1      CYS   8  -8.604  -0.320  -0.427
   50    H    VAL   9           HN       VAL   9  -4.925  -0.152  -0.418
   51    HA   VAL   9           HA       VAL   9  -5.105  -0.228  -3.314
   52    HB   VAL   9           HB       VAL   9  -2.582  -0.455  -3.355
   53   HG11  VAL   9          HG11      VAL   9  -2.114   1.921  -2.996
   54   HG12  VAL   9          HG12      VAL   9  -3.620   2.089  -2.111
   55   HG13  VAL   9          3HG1      VAL   9  -3.651   1.710  -3.847
   56   HG21  VAL   9          HG21      VAL   9  -2.754   0.503  -0.504
   57   HG22  VAL   9          HG22      VAL   9  -1.297   0.359  -1.483
   58   HG23  VAL   9          HG23      VAL   9  -2.189  -1.096  -1.030
   59    HA   PRO  10           HA       PRO  10  -5.670  -4.508  -2.756
   60    HB2  PRO  10           HB2      PRO  10  -5.390  -5.313  -5.329
   61    HB3  PRO  10           HB1      PRO  10  -6.816  -4.471  -4.717
   62    HG2  PRO  10           HG2      PRO  10  -4.527  -3.424  -6.296
   63    HG3  PRO  10           HG1      PRO  10  -6.244  -3.000  -6.381
   64    HD2  PRO  10           HD2      PRO  10  -4.336  -1.481  -5.113
   65    HD3  PRO  10           HD1      PRO  10  -6.060  -1.448  -4.714
   66    H    SER  11           HN       SER  11  -4.774  -6.624  -3.292
   67    HA   SER  11           HA       SER  11  -2.049  -6.727  -2.502
   68    HB2  SER  11           HB2      SER  11  -3.688  -9.043  -3.546
   69    HB3  SER  11           HB1      SER  11  -2.391  -9.011  -2.326
   70    HG   SER  11           HG       SER  11  -4.260  -7.360  -1.535
   71    H    GLY  12           HN       GLY  12  -0.340  -6.742  -3.802
   72    HA2  GLY  12           HA2      GLY  12   0.812  -7.558  -5.765
   73    HA3  GLY  12           HA1      GLY  12  -0.710  -7.429  -6.645
   74    H    THR  13           HN       THR  13  -0.749  -4.843  -4.776
   75    HA   THR  13           HA       THR  13   0.267  -3.119  -6.854
   76    HB   THR  13           HB       THR  13  -1.252  -2.600  -4.307
   77    HG1  THR  13           HG1      THR  13  -2.081  -3.609  -6.515
   78   HG21  THR  13          HG21      THR  13  -0.668  -0.643  -6.548
   79   HG22  THR  13          HG22      THR  13  -0.070  -0.564  -4.879
   80   HG23  THR  13          HG23      THR  13  -1.786  -0.363  -5.209
   81    H    CYS  14           HN       CYS  14   1.556  -1.327  -6.200
   82    HA   CYS  14           HA       CYS  14   3.239  -1.440  -3.865
   83    HB2  CYS  14           HB2      CYS  14   4.383  -1.528  -6.685
   84    HB3  CYS  14           HB1      CYS  14   5.322  -1.179  -5.247
   85    H    ALA  15           HN       ALA  15   3.567   0.635  -3.254
   86    HA   ALA  15           HA       ALA  15   3.093   2.703  -5.235
   87    HB1  ALA  15           HB1      ALA  15   1.418   2.439  -2.747
   88    HB2  ALA  15           HB2      ALA  15   0.873   2.137  -4.397
   89    HB3  ALA  15           HB3      ALA  15   1.346   3.763  -3.907
   90    H    ASP  16           HN       ASP  16   3.882   4.663  -4.677
   91    HA   ASP  16           HA       ASP  16   5.824   4.670  -2.512
   92    HB2  ASP  16           HB2      ASP  16   6.621   5.450  -4.668
   93    HB3  ASP  16           HB1      ASP  16   5.313   6.625  -4.768
   94    H    PHE  17           HN       PHE  17   5.260   5.226  -0.673
   95    HA   PHE  17           HA       PHE  17   3.160   7.225  -0.311
   96    HB2  PHE  17           HB2      PHE  17   4.007   4.916   1.438
   97    HB3  PHE  17           HB1      PHE  17   2.883   6.088   1.976
   98    HD1  PHE  17           HD1      PHE  17   1.608   6.333  -0.947
   99    HD2  PHE  17           HD2      PHE  17   2.309   3.136   1.760
  100    HE1  PHE  17           HE1      PHE  17  -0.302   5.122  -1.888
  101    HE2  PHE  17           HE2      PHE  17   0.415   1.931   0.820
  102    HZ   PHE  17           HZ       PHE  17  -0.900   2.910  -1.006
  103    HA   PRO  18           HA       PRO  18   5.797   9.974   1.917
  104    HB2  PRO  18           HB2      PRO  18   3.956   9.706   4.238
  105    HB3  PRO  18           HB1      PRO  18   4.498  11.165   3.400
  106    HG2  PRO  18           HG2      PRO  18   2.047  10.263   3.010
  107    HG3  PRO  18           HG1      PRO  18   3.008  10.860   1.642
  108    HD2  PRO  18           HD2      PRO  18   2.430   8.033   2.442
  109    HD3  PRO  18           HD1      PRO  18   2.464   8.746   0.833
  110    H    TRP  19           HN       TRP  19   7.130  10.186   3.779
  111    HA   TRP  19           HA       TRP  19   8.457   7.850   4.597
  112    HB2  TRP  19           HB2      TRP  19   9.261  10.312   4.427
  113    HB3  TRP  19           HB1      TRP  19   8.515  10.523   5.999
  114    HD1  TRP  19           HD1      TRP  19  11.474   8.900   4.276
  115    HE1  TRP  19           HE1      TRP  19  13.211   8.245   6.017
  116    HE3  TRP  19          3HE       TRP  19   8.733   9.831   8.430
  117    HZ2  TRP  19           HZ2      TRP  19  13.398   8.123   8.866
  118    HZ3  TRP  19           HZ3      TRP  19   9.747   9.427  10.660
  119    HH2  TRP  19          2HH       TRP  19  12.033   8.587  10.860
  120    HA   PRO  20           HA       PRO  20   9.356   6.782   6.060
  121    HB2  PRO  20           HB2      PRO  20   9.478   4.834   7.818
  122    HB3  PRO  20           HB1      PRO  20   9.678   6.512   8.336
  123    HG2  PRO  20           HG2      PRO  20   7.347   4.695   8.688
  124    HG3  PRO  20           HG1      PRO  20   7.929   5.994   9.741
  125    HD2  PRO  20           HD2      PRO  20   5.833   6.131   7.800
  126    HD3  PRO  20           HD1      PRO  20   6.493   7.462   8.768
  127    H    LEU  21           HN       LEU  21   6.450   5.985   4.957
  128    HA   LEU  21           HA       LEU  21   6.574   3.151   4.789
  129    HB2  LEU  21           HB2      LEU  21   4.938   5.258   3.401
  130    HB3  LEU  21           HB1      LEU  21   4.766   3.550   3.054
  131    HG   LEU  21           HG       LEU  21   4.337   4.700   5.820
  132   HD11  LEU  21          HD11      LEU  21   2.310   4.071   3.674
  133   HD12  LEU  21          HD12      LEU  21   2.732   5.694   4.228
  134   HD13  LEU  21          HD13      LEU  21   1.949   4.558   5.328
  135   HD21  LEU  21          HD21      LEU  21   4.819   2.312   5.704
  136   HD22  LEU  21          HD22      LEU  21   3.558   2.153   4.472
  137   HD23  LEU  21          HD23      LEU  21   3.117   2.599   6.118
  138    H    GLY  22           HN       GLY  22   6.980   5.784   2.439
  139    HA2  GLY  22           HA2      GLY  22   8.373   5.905   0.598
  140    HA3  GLY  22           HA1      GLY  22   9.190   4.464   1.204
  141    H    HIS  23           HN       HIS  23   9.265   3.462  -0.822
  142    HA   HIS  23           HA       HIS  23   6.735   2.965  -2.150
  143    HB2  HIS  23           HB2      HIS  23   8.846   3.402  -3.493
  144    HB3  HIS  23           HB1      HIS  23   9.461   1.864  -2.908
  145    HD1  HIS  23           HD1      HIS  23   7.359   3.362  -5.551
  146    HD2  HIS  23           HD2      HIS  23   8.031  -0.346  -3.857
  147    HE1  HIS  23           HE1      HIS  23   6.365   1.702  -7.147
  148    H    GLN  24           HN       GLN  24   5.532   1.681  -1.066
  149    HA   GLN  24           HA       GLN  24   6.593  -0.752   0.193
  150    HB2  GLN  24           HB2      GLN  24   3.983   0.727   0.442
  151    HB3  GLN  24           HB1      GLN  24   4.305  -0.813   1.215
  152    HG2  GLN  24           HG2      GLN  24   6.007   1.610   1.704
  153    HG3  GLN  24           HG1      GLN  24   4.548   1.257   2.633
  154   HE21  GLN  24          1HE2      GLN  24   4.558  -0.436   3.990
  155   HE22  GLN  24          2HE2      GLN  24   6.011  -1.222   4.500
  156    H    CYS  25           HN       CYS  25   5.736  -2.757  -0.331
  157    HA   CYS  25           HA       CYS  25   3.876  -2.829  -2.579
  158    HB2  CYS  25           HB2      CYS  25   6.107  -4.748  -1.909
  159    HB3  CYS  25           HB1      CYS  25   4.788  -5.181  -2.991
  160    H    PHE  26           HN       PHE  26   2.204  -4.300  -2.506
  161    HA   PHE  26           HA       PHE  26   1.561  -4.948   0.291
  162    HB2  PHE  26           HB2      PHE  26  -0.447  -4.072  -1.770
  163    HB3  PHE  26           HB1      PHE  26  -0.607  -4.077  -0.013
  164    HD1  PHE  26           HD1      PHE  26   0.184  -2.127  -2.854
  165    HD2  PHE  26           HD2      PHE  26   1.016  -2.568   1.273
  166    HE1  PHE  26           HE1      PHE  26   1.059   0.146  -2.806
  167    HE2  PHE  26           HE2      PHE  26   1.879  -0.263   1.337
  168    HZ   PHE  26           HZ       PHE  26   1.905   1.085  -0.712
  169    HA   PRO  27           HA       PRO  27   1.134  -8.803  -2.119
  170    HB2  PRO  27           HB2      PRO  27   1.894 -10.492  -0.130
  171    HB3  PRO  27           HB1      PRO  27   3.057  -9.614  -1.127
  172    HG2  PRO  27           HG2      PRO  27   2.154  -9.074   1.653
  173    HG3  PRO  27           HG1      PRO  27   3.747  -8.827   0.926
  174    HD2  PRO  27           HD2      PRO  27   1.839  -6.865   1.388
  175    HD3  PRO  27           HD1      PRO  27   3.195  -6.684   0.272
  176    H    ASP  28           HN       ASP  28  -0.287  -7.655   0.672
  177    HA   ASP  28           HA       ASP  28  -2.547  -9.514   0.454
  178    HB2  ASP  28           HB2      ASP  28  -2.798  -9.469   2.862
  179    HB3  ASP  28           HB1      ASP  28  -1.162  -9.984   2.475
  Start of MODEL    7
    1    H1   GLY   1           HN       GLY   1  -1.377  -6.435  -0.037
    2    HA2  GLY   1           HA2      GLY   1  -2.507  -4.500  -0.691
    3    HA3  GLY   1           HA1      GLY   1  -3.946  -5.107   0.114
    4    H    PHE   2           HN       PHE   2  -3.459  -2.498   0.449
    5    HA   PHE   2           HA       PHE   2  -2.859  -2.320   3.284
    6    HB2  PHE   2           HB2      PHE   2  -0.670  -2.018   2.304
    7    HB3  PHE   2           HB1      PHE   2  -1.296  -0.820   1.189
    8    HD1  PHE   2           HD1      PHE   2  -1.046  -1.438   4.851
    9    HD2  PHE   2           HD2      PHE   2  -0.922   1.357   1.665
   10    HE1  PHE   2           HE1      PHE   2  -0.411   0.331   6.439
   11    HE2  PHE   2           HE2      PHE   2  -0.299   3.129   3.204
   12    HZ   PHE   2           HZ       PHE   2  -0.032   2.632   5.625
   13    H    CYS   3           HN       CYS   3  -4.141  -0.782   4.227
   14    HA   CYS   3           HA       CYS   3  -5.768   0.717   2.378
   15    HB2  CYS   3           HB2      CYS   3  -6.379  -0.145   5.208
   16    HB3  CYS   3           HB1      CYS   3  -7.442   0.832   4.201
   17    H    TRP   4           HN       TRP   4  -5.493   2.712   2.232
   18    HA   TRP   4           HA       TRP   4  -4.464   4.379   4.376
   19    HB2  TRP   4           HB2      TRP   4  -2.410   3.588   3.493
   20    HB3  TRP   4           HB1      TRP   4  -2.982   3.702   1.839
   21    HD1  TRP   4           HD1      TRP   4  -1.904   6.008   4.737
   22    HE1  TRP   4           HE1      TRP   4  -0.992   8.173   3.715
   23    HE3  TRP   4          3HE       TRP   4  -2.890   5.027  -0.148
   24    HZ2  TRP   4           HZ2      TRP   4  -0.731   9.306   1.177
   25    HZ3  TRP   4           HZ3      TRP   4  -2.284   6.651  -1.833
   26    HH2  TRP   4          2HH       TRP   4  -1.209   8.795  -1.209
   27    H    HIS   5           HN       HIS   5  -4.580   6.733   3.779
   28    HA   HIS   5           HA       HIS   5  -5.635   8.531   3.079
   29    HB2  HIS   5           HB2      HIS   5  -4.336   7.480   1.036
   30    HB3  HIS   5           HB1      HIS   5  -5.962   7.412   0.348
   31    HD1  HIS   5           HD1      HIS   5  -6.680   9.560  -0.807
   32    HD2  HIS   5           HD2      HIS   5  -3.719  10.074   2.028
   33    HE1  HIS   5           HE1      HIS   5  -5.985  11.972  -1.006
   34    H    HIS   6           HN       HIS   6  -7.317   6.375   4.111
   35    HA   HIS   6           HA       HIS   6  -9.464   5.803   4.395
   36    HB2  HIS   6           HB2      HIS   6  -9.959   8.425   2.961
   37    HB3  HIS   6           HB1      HIS   6 -11.252   7.461   3.664
   38    HD1  HIS   6           HD1      HIS   6 -11.443   7.470   6.266
   39    HD2  HIS   6           HD2      HIS   6  -8.311   9.751   4.775
   40    HE1  HIS   6           HE1      HIS   6 -10.626   8.870   8.194
   41    H    SER   7           HN       SER   7  -7.976   5.115   1.935
   42    HA   SER   7           HA       SER   7 -10.188   3.858   0.525
   43    HB2  SER   7           HB2      SER   7  -7.679   5.059  -0.702
   44    HB3  SER   7           HB1      SER   7  -9.014   4.292  -1.569
   45    HG   SER   7           HG       SER   7  -9.946   6.181   0.039
   46    H    CYS   8           HN       CYS   8  -8.545   2.146  -1.032
   47    HA   CYS   8           HA       CYS   8  -6.431   1.271   0.702
   48    HB2  CYS   8           HB2      CYS   8  -8.611   0.229   1.557
   49    HB3  CYS   8           HB1      CYS   8  -8.632  -0.653   0.026
   50    H    VAL   9           HN       VAL   9  -5.009  -0.041  -0.275
   51    HA   VAL   9           HA       VAL   9  -5.399  -0.283  -3.141
   52    HB   VAL   9           HB       VAL   9  -2.915  -0.438  -3.401
   53   HG11  VAL   9          HG11      VAL   9  -2.366   1.879  -2.977
   54   HG12  VAL   9          HG12      VAL   9  -3.820   2.052  -1.993
   55   HG13  VAL   9          3HG1      VAL   9  -3.960   1.726  -3.739
   56   HG21  VAL   9          HG21      VAL   9  -2.767   0.377  -0.499
   57   HG22  VAL   9          HG22      VAL   9  -1.435   0.348  -1.633
   58   HG23  VAL   9          HG23      VAL   9  -2.220  -1.169  -1.178
   59    HA   PRO  10           HA       PRO  10  -5.791  -4.574  -2.453
   60    HB2  PRO  10           HB2      PRO  10  -5.602  -5.429  -5.018
   61    HB3  PRO  10           HB1      PRO  10  -7.019  -4.571  -4.398
   62    HG2  PRO  10           HG2      PRO  10  -4.727  -3.544  -6.015
   63    HG3  PRO  10           HG1      PRO  10  -6.456  -3.189  -6.174
   64    HD2  PRO  10           HD2      PRO  10  -4.695  -1.518  -4.946
   65    HD3  PRO  10           HD1      PRO  10  -6.410  -1.615  -4.505
   66    H    SER  11           HN       SER  11  -4.705  -6.655  -2.863
   67    HA   SER  11           HA       SER  11  -1.945  -6.550  -2.411
   68    HB2  SER  11           HB2      SER  11  -3.068  -8.402  -1.535
   69    HB3  SER  11           HB1      SER  11  -3.837  -8.830  -3.080
   70    HG   SER  11           HG       SER  11  -1.595  -9.730  -2.007
   71    H    GLY  12           HN       GLY  12  -0.222  -6.851  -3.713
   72    HA2  GLY  12           HA2      GLY  12   0.820  -7.420  -5.781
   73    HA3  GLY  12           HA1      GLY  12  -0.718  -7.146  -6.589
   74    H    THR  13           HN       THR  13  -0.910  -4.658  -4.780
   75    HA   THR  13           HA       THR  13   0.045  -2.840  -6.747
   76    HB   THR  13           HB       THR  13  -0.967  -2.262  -3.972
   77    HG1  THR  13           HG1      THR  13  -2.653  -3.219  -4.787
   78   HG21  THR  13          HG21      THR  13  -1.004  -0.559  -6.480
   79   HG22  THR  13          HG22      THR  13  -0.002  -0.298  -5.043
   80   HG23  THR  13          HG23      THR  13  -1.748  -0.129  -4.937
   81    H    CYS  14           HN       CYS  14   1.465  -1.165  -6.369
   82    HA   CYS  14           HA       CYS  14   3.420  -1.217  -4.247
   83    HB2  CYS  14           HB2      CYS  14   4.213  -1.390  -7.190
   84    HB3  CYS  14           HB1      CYS  14   5.311  -1.071  -5.865
   85    H    ALA  15           HN       ALA  15   3.761   0.873  -3.730
   86    HA   ALA  15           HA       ALA  15   3.585   2.943  -5.734
   87    HB1  ALA  15           HB1      ALA  15   1.595   2.878  -3.460
   88    HB2  ALA  15           HB2      ALA  15   1.210   2.646  -5.165
   89    HB3  ALA  15           HB3      ALA  15   1.806   4.209  -4.598
   90    H    ASP  16           HN       ASP  16   3.982   5.110  -4.668
   91    HA   ASP  16           HA       ASP  16   5.963   4.717  -2.550
   92    HB2  ASP  16           HB2      ASP  16   6.645   5.771  -4.754
   93    HB3  ASP  16           HB1      ASP  16   5.590   7.117  -4.333
   94    H    PHE  17           HN       PHE  17   5.322   5.177  -0.638
   95    HA   PHE  17           HA       PHE  17   3.077   7.013  -0.209
   96    HB2  PHE  17           HB2      PHE  17   4.139   4.712   1.444
   97    HB3  PHE  17           HB1      PHE  17   2.821   5.725   1.952
   98    HD1  PHE  17           HD1      PHE  17   3.855   3.176  -0.475
   99    HD2  PHE  17           HD2      PHE  17   0.581   5.440   1.039
  100    HE1  PHE  17           HE1      PHE  17   2.314   1.772  -1.675
  101    HE2  PHE  17           HE2      PHE  17  -0.955   4.016  -0.169
  102    HZ   PHE  17           HZ       PHE  17  -0.114   2.183  -1.543
  103    HA   PRO  18           HA       PRO  18   5.578   9.760   2.274
  104    HB2  PRO  18           HB2      PRO  18   3.790   9.309   4.604
  105    HB3  PRO  18           HB1      PRO  18   4.207  10.817   3.787
  106    HG2  PRO  18           HG2      PRO  18   1.805   9.739   3.464
  107    HG3  PRO  18           HG1      PRO  18   2.651  10.486   2.096
  108    HD2  PRO  18           HD2      PRO  18   2.356   7.595   2.794
  109    HD3  PRO  18           HD1      PRO  18   2.231   8.375   1.204
  110    H    TRP  19           HN       TRP  19   6.960   9.877   4.122
  111    HA   TRP  19           HA       TRP  19   8.299   7.523   4.860
  112    HB2  TRP  19           HB2      TRP  19   9.203   9.881   4.864
  113    HB3  TRP  19           HB1      TRP  19   8.241  10.186   6.301
  114    HD1  TRP  19           HD1      TRP  19  11.412   8.441   5.125
  115    HE1  TRP  19           HE1      TRP  19  12.811   7.794   7.173
  116    HE3  TRP  19          3HE       TRP  19   8.048   9.546   8.720
  117    HZ2  TRP  19           HZ2      TRP  19  12.525   7.769   9.990
  118    HZ3  TRP  19           HZ3      TRP  19   8.663   9.199  11.112
  119    HH2  TRP  19          2HH       TRP  19  10.861   8.323  11.715
  120    HA   PRO  20           HA       PRO  20   9.250   6.433   6.262
  121    HB2  PRO  20           HB2      PRO  20   9.394   4.339   7.875
  122    HB3  PRO  20           HB1      PRO  20   9.564   5.982   8.501
  123    HG2  PRO  20           HG2      PRO  20   7.285   4.099   8.762
  124    HG3  PRO  20           HG1      PRO  20   7.795   5.411   9.838
  125    HD2  PRO  20           HD2      PRO  20   5.747   5.442   7.824
  126    HD3  PRO  20           HD1      PRO  20   6.244   6.765   8.892
  127    H    LEU  21           HN       LEU  21   6.448   5.610   5.041
  128    HA   LEU  21           HA       LEU  21   6.681   2.797   4.637
  129    HB2  LEU  21           HB2      LEU  21   5.005   4.943   3.365
  130    HB3  LEU  21           HB1      LEU  21   4.887   3.249   2.930
  131    HG   LEU  21           HG       LEU  21   4.391   4.226   5.746
  132   HD11  LEU  21          HD11      LEU  21   2.827   5.357   4.250
  133   HD12  LEU  21          HD12      LEU  21   1.998   4.097   5.171
  134   HD13  LEU  21          HD13      LEU  21   2.430   3.819   3.486
  135   HD21  LEU  21          HD21      LEU  21   3.585   1.769   4.225
  136   HD22  LEU  21          HD22      LEU  21   3.181   2.117   5.908
  137   HD23  LEU  21          HD23      LEU  21   4.865   1.834   5.439
  138    H    GLY  22           HN       GLY  22   7.005   5.646   2.524
  139    HA2  GLY  22           HA2      GLY  22   8.281   5.948   0.624
  140    HA3  GLY  22           HA1      GLY  22   9.247   4.561   1.128
  141    H    HIS  23           HN       HIS  23   9.317   3.568  -0.876
  142    HA   HIS  23           HA       HIS  23   6.838   3.015  -2.260
  143    HB2  HIS  23           HB2      HIS  23   8.996   3.491  -3.501
  144    HB3  HIS  23           HB1      HIS  23   9.599   1.957  -2.898
  145    HD1  HIS  23           HD1      HIS  23   7.434   3.440  -5.521
  146    HD2  HIS  23           HD2      HIS  23   8.380  -0.272  -3.980
  147    HE1  HIS  23           HE1      HIS  23   6.569   1.758  -7.206
  148    H    GLN  24           HN       GLN  24   5.607   1.493  -1.651
  149    HA   GLN  24           HA       GLN  24   6.761  -0.898  -0.366
  150    HB2  GLN  24           HB2      GLN  24   4.127   0.454   0.157
  151    HB3  GLN  24           HB1      GLN  24   4.608  -1.086   0.828
  152    HG2  GLN  24           HG2      GLN  24   5.966   1.544   1.361
  153    HG3  GLN  24           HG1      GLN  24   4.766   0.790   2.402
  154   HE21  GLN  24          1HE2      GLN  24   6.036   0.512   4.124
  155   HE22  GLN  24          2HE2      GLN  24   7.403  -0.538   4.173
  156    H    CYS  25           HN       CYS  25   5.953  -2.841  -1.007
  157    HA   CYS  25           HA       CYS  25   3.828  -2.861  -2.996
  158    HB2  CYS  25           HB2      CYS  25   6.141  -4.782  -2.570
  159    HB3  CYS  25           HB1      CYS  25   4.766  -5.138  -3.612
  160    H    PHE  26           HN       PHE  26   2.187  -4.503  -2.654
  161    HA   PHE  26           HA       PHE  26   2.068  -5.123   0.228
  162    HB2  PHE  26           HB2      PHE  26  -0.201  -4.198  -1.501
  163    HB3  PHE  26           HB1      PHE  26  -0.272  -4.525   0.228
  164    HD1  PHE  26           HD1      PHE  26   1.570  -3.293   1.607
  165    HD2  PHE  26           HD2      PHE  26   0.078  -2.014  -2.165
  166    HE1  PHE  26           HE1      PHE  26   2.327  -1.009   2.073
  167    HE2  PHE  26           HE2      PHE  26   0.825   0.216  -1.705
  168    HZ   PHE  26           HZ       PHE  26   1.941   0.752   0.384
  169    HA   PRO  27           HA       PRO  27   1.438  -9.304  -1.470
  170    HB2  PRO  27           HB2      PRO  27   1.692  -9.903   1.421
  171    HB3  PRO  27           HB1      PRO  27   2.548 -10.616   0.052
  172    HG2  PRO  27           HG2      PRO  27   3.796  -8.931   1.679
  173    HG3  PRO  27           HG1      PRO  27   4.077  -8.873  -0.069
  174    HD2  PRO  27           HD2      PRO  27   2.380  -7.093   1.635
  175    HD3  PRO  27           HD1      PRO  27   3.478  -6.671   0.305
  176    H    ASP  28           HN       ASP  28  -0.225  -7.589   1.031
  177    HA   ASP  28           HA       ASP  28  -2.584  -9.272   0.572
  178    HB2  ASP  28           HB2      ASP  28  -3.190  -9.252   2.923
  179    HB3  ASP  28           HB1      ASP  28  -1.556  -9.875   2.770
  Start of MODEL    8
    1    H1   GLY   1           HN       GLY   1  -1.369  -6.419  -0.038
    2    HA2  GLY   1           HA2      GLY   1  -2.492  -4.474  -0.575
    3    HA3  GLY   1           HA1      GLY   1  -3.946  -5.155   0.133
    4    H    PHE   2           HN       PHE   2  -3.628  -2.616   0.602
    5    HA   PHE   2           HA       PHE   2  -3.260  -2.508   3.467
    6    HB2  PHE   2           HB2      PHE   2  -0.977  -2.180   2.772
    7    HB3  PHE   2           HB1      PHE   2  -1.460  -0.991   1.583
    8    HD1  PHE   2           HD1      PHE   2  -1.010   1.163   2.078
    9    HD2  PHE   2           HD2      PHE   2  -1.758  -1.536   5.274
   10    HE1  PHE   2           HE1      PHE   2  -0.549   2.944   3.657
   11    HE2  PHE   2           HE2      PHE   2  -1.302   0.253   6.893
   12    HZ   PHE   2           HZ       PHE   2  -0.686   2.506   6.098
   13    H    CYS   3           HN       CYS   3  -4.679  -1.030   4.317
   14    HA   CYS   3           HA       CYS   3  -6.037   0.613   2.389
   15    HB2  CYS   3           HB2      CYS   3  -6.921  -0.368   5.104
   16    HB3  CYS   3           HB1      CYS   3  -7.836   0.770   4.124
   17    H    TRP   4           HN       TRP   4  -5.946   2.634   2.487
   18    HA   TRP   4           HA       TRP   4  -4.783   4.105   4.683
   19    HB2  TRP   4           HB2      TRP   4  -2.768   3.327   3.804
   20    HB3  TRP   4           HB1      TRP   4  -3.342   3.417   2.150
   21    HD1  TRP   4           HD1      TRP   4  -1.992   5.662   4.957
   22    HE1  TRP   4           HE1      TRP   4  -1.107   7.818   3.845
   23    HE3  TRP   4          3HE       TRP   4  -3.504   4.784   0.191
   24    HZ2  TRP   4           HZ2      TRP   4  -1.100   8.937   1.413
   25    HZ3  TRP   4           HZ3      TRP   4  -3.021   6.440  -1.520
   26    HH2  TRP   4          2HH       TRP   4  -1.820   8.516  -0.951
   27    H    HIS   5           HN       HIS   5  -4.861   6.417   4.357
   28    HA   HIS   5           HA       HIS   5  -6.323   8.104   4.167
   29    HB2  HIS   5           HB2      HIS   5  -4.702   7.802   1.767
   30    HB3  HIS   5           HB1      HIS   5  -5.931   9.093   1.696
   31    HD1  HIS   5           HD1      HIS   5  -3.952  10.849   1.707
   32    HD2  HIS   5           HD2      HIS   5  -4.112   8.389   5.035
   33    HE1  HIS   5           HE1      HIS   5  -2.389  11.861   3.403
   34    H    HIS   6           HN       HIS   6  -8.057   6.287   4.260
   35    HA   HIS   6           HA       HIS   6 -10.243   5.836   3.966
   36    HB2  HIS   6           HB2      HIS   6 -10.258   8.356   2.288
   37    HB3  HIS   6           HB1      HIS   6 -11.707   7.445   2.687
   38    HD1  HIS   6           HD1      HIS   6 -12.493   7.547   5.223
   39    HD2  HIS   6           HD2      HIS   6  -9.265   9.977   4.259
   40    HE1  HIS   6           HE1      HIS   6 -12.245   9.169   7.132
   41    H    SER   7           HN       SER   7  -8.097   5.326   1.737
   42    HA   SER   7           HA       SER   7  -9.983   4.019  -0.084
   43    HB2  SER   7           HB2      SER   7  -7.225   5.126  -0.685
   44    HB3  SER   7           HB1      SER   7  -8.325   4.374  -1.844
   45    HG   SER   7           HG       SER   7  -9.472   6.386  -0.443
   46    H    CYS   8           HN       CYS   8  -8.232   2.254  -1.297
   47    HA   CYS   8           HA       CYS   8  -6.459   1.226   0.678
   48    HB2  CYS   8           HB2      CYS   8  -8.817   0.292   1.184
   49    HB3  CYS   8           HB1      CYS   8  -8.643  -0.557  -0.355
   50    H    VAL   9           HN       VAL   9  -5.022  -0.183  -0.216
   51    HA   VAL   9           HA       VAL   9  -5.185  -0.327  -3.103
   52    HB   VAL   9           HB       VAL   9  -2.743  -0.516  -3.196
   53   HG11  VAL   9          HG11      VAL   9  -2.168   1.840  -2.707
   54   HG12  VAL   9          HG12      VAL   9  -3.672   2.003  -1.813
   55   HG13  VAL   9          3HG1      VAL   9  -3.709   1.699  -3.562
   56   HG21  VAL   9          HG21      VAL   9  -2.195  -1.294  -0.956
   57   HG22  VAL   9          HG22      VAL   9  -2.701   0.278  -0.286
   58   HG23  VAL   9          HG23      VAL   9  -1.311   0.180  -1.350
   59    HA   PRO  10           HA       PRO  10  -5.708  -4.595  -2.399
   60    HB2  PRO  10           HB2      PRO  10  -5.448  -5.454  -4.962
   61    HB3  PRO  10           HB1      PRO  10  -6.885  -4.628  -4.354
   62    HG2  PRO  10           HG2      PRO  10  -4.619  -3.547  -5.965
   63    HG3  PRO  10           HG1      PRO  10  -6.349  -3.193  -6.091
   64    HD2  PRO  10           HD2      PRO  10  -4.549  -1.559  -4.861
   65    HD3  PRO  10           HD1      PRO  10  -6.260  -1.610  -4.416
   66    H    SER  11           HN       SER  11  -4.642  -6.690  -2.779
   67    HA   SER  11           HA       SER  11  -1.911  -6.631  -2.206
   68    HB2  SER  11           HB2      SER  11  -3.346  -9.005  -3.386
   69    HB3  SER  11           HB1      SER  11  -2.046  -8.934  -2.178
   70    HG   SER  11           HG       SER  11  -4.764  -8.650  -1.860
   71    H    GLY  12           HN       GLY  12  -0.186  -6.530  -3.540
   72    HA2  GLY  12           HA2      GLY  12   0.913  -7.219  -5.574
   73    HA3  GLY  12           HA1      GLY  12  -0.630  -7.041  -6.401
   74    H    THR  13           HN       THR  13  -0.767  -4.559  -4.492
   75    HA   THR  13           HA       THR  13   0.053  -2.709  -6.514
   76    HB   THR  13           HB       THR  13  -0.904  -2.189  -3.726
   77    HG1  THR  13           HG1      THR  13  -2.588  -3.145  -4.546
   78   HG21  THR  13          HG21      THR  13  -0.918  -0.432  -6.191
   79   HG22  THR  13          HG22      THR  13   0.012  -0.186  -4.702
   80   HG23  THR  13          HG23      THR  13  -1.736  -0.033  -4.681
   81    H    CYS  14           HN       CYS  14   1.482  -1.105  -6.215
   82    HA   CYS  14           HA       CYS  14   3.457  -1.139  -4.099
   83    HB2  CYS  14           HB2      CYS  14   4.163  -1.340  -7.049
   84    HB3  CYS  14           HB1      CYS  14   5.313  -1.010  -5.761
   85    H    ALA  15           HN       ALA  15   3.800   0.941  -3.589
   86    HA   ALA  15           HA       ALA  15   3.491   2.983  -5.607
   87    HB1  ALA  15           HB1      ALA  15   1.174   2.583  -4.949
   88    HB2  ALA  15           HB2      ALA  15   1.719   4.188  -4.456
   89    HB3  ALA  15           HB3      ALA  15   1.599   2.893  -3.267
   90    H    ASP  16           HN       ASP  16   4.135   5.027  -4.888
   91    HA   ASP  16           HA       ASP  16   6.043   4.861  -2.698
   92    HB2  ASP  16           HB2      ASP  16   6.755   5.683  -4.954
   93    HB3  ASP  16           HB1      ASP  16   5.667   7.048  -4.741
   94    H    PHE  17           HN       PHE  17   5.464   5.485  -0.868
   95    HA   PHE  17           HA       PHE  17   3.526   7.659  -0.543
   96    HB2  PHE  17           HB2      PHE  17   3.982   5.186   1.131
   97    HB3  PHE  17           HB1      PHE  17   2.893   6.436   1.608
   98    HD1  PHE  17           HD1      PHE  17   1.369   7.100  -0.711
   99    HD2  PHE  17           HD2      PHE  17   2.768   3.244   0.473
  100    HE1  PHE  17           HE1      PHE  17  -0.460   6.033  -1.948
  101    HE2  PHE  17           HE2      PHE  17   0.960   2.213  -0.743
  102    HZ   PHE  17           HZ       PHE  17  -0.668   3.588  -1.969
  103    HA   PRO  18           HA       PRO  18   6.617   9.668   2.013
  104    HB2  PRO  18           HB2      PRO  18   4.720   9.903   4.270
  105    HB3  PRO  18           HB1      PRO  18   5.524  11.179   3.352
  106    HG2  PRO  18           HG2      PRO  18   2.911  10.703   3.059
  107    HG3  PRO  18           HG1      PRO  18   3.922  11.169   1.681
  108    HD2  PRO  18           HD2      PRO  18   2.912   8.448   2.446
  109    HD3  PRO  18           HD1      PRO  18   3.028   9.197   0.842
  110    H    TRP  19           HN       TRP  19   7.894   9.463   3.955
  111    HA   TRP  19           HA       TRP  19   8.476   6.883   4.876
  112    HB2  TRP  19           HB2      TRP  19  10.015   8.860   4.984
  113    HB3  TRP  19           HB1      TRP  19   8.995   9.548   6.238
  114    HD1  TRP  19           HD1      TRP  19  11.689   6.926   5.665
  115    HE1  TRP  19           HE1      TRP  19  12.517   6.071   7.941
  116    HE3  TRP  19          3HE       TRP  19   8.244   9.145   8.608
  117    HZ2  TRP  19           HZ2      TRP  19  11.799   6.326  10.664
  118    HZ3  TRP  19           HZ3      TRP  19   8.356   8.816  11.077
  119    HH2  TRP  19          2HH       TRP  19  10.106   7.422  12.066
  120    HA   PRO  20           HA       PRO  20   9.050   5.662   6.450
  121    HB2  PRO  20           HB2      PRO  20   8.512   3.593   7.973
  122    HB3  PRO  20           HB1      PRO  20   8.873   5.159   8.715
  123    HG2  PRO  20           HG2      PRO  20   6.235   3.810   8.328
  124    HG3  PRO  20           HG1      PRO  20   6.815   4.746   9.714
  125    HD2  PRO  20           HD2      PRO  20   5.195   5.705   7.624
  126    HD3  PRO  20           HD1      PRO  20   6.066   6.698   8.809
  127    H    LEU  21           HN       LEU  21   6.392   5.595   4.752
  128    HA   LEU  21           HA       LEU  21   6.213   2.782   4.224
  129    HB2  LEU  21           HB2      LEU  21   4.911   5.214   3.028
  130    HB3  LEU  21           HB1      LEU  21   4.611   3.583   2.457
  131    HG   LEU  21           HG       LEU  21   4.065   4.402   5.316
  132   HD11  LEU  21          HD11      LEU  21   2.179   4.379   2.965
  133   HD12  LEU  21          HD12      LEU  21   2.730   5.823   3.823
  134   HD13  LEU  21          HD13      LEU  21   1.724   4.629   4.649
  135   HD21  LEU  21          HD21      LEU  21   3.046   2.204   3.563
  136   HD22  LEU  21          HD22      LEU  21   2.612   2.467   5.256
  137   HD23  LEU  21          HD23      LEU  21   4.267   2.012   4.822
  138    H    GLY  22           HN       GLY  22   7.101   5.695   2.333
  139    HA2  GLY  22           HA2      GLY  22   8.524   5.887   0.513
  140    HA3  GLY  22           HA1      GLY  22   9.293   4.391   1.048
  141    H    HIS  23           HN       HIS  23   9.380   3.341  -0.972
  142    HA   HIS  23           HA       HIS  23   6.860   3.030  -2.392
  143    HB2  HIS  23           HB2      HIS  23   8.948   3.450  -3.747
  144    HB3  HIS  23           HB1      HIS  23   9.606   1.945  -3.127
  145    HD1  HIS  23           HD1      HIS  23   7.260   3.298  -5.716
  146    HD2  HIS  23           HD2      HIS  23   8.492  -0.340  -4.180
  147    HE1  HIS  23           HE1      HIS  23   6.418   1.568  -7.322
  148    H    GLN  24           HN       GLN  24   5.615   1.713  -1.348
  149    HA   GLN  24           HA       GLN  24   6.697  -0.763  -0.184
  150    HB2  GLN  24           HB2      GLN  24   4.063   0.622   0.153
  151    HB3  GLN  24           HB1      GLN  24   4.436  -0.918   0.874
  152    HG2  GLN  24           HG2      GLN  24   5.810   1.692   1.452
  153    HG3  GLN  24           HG1      GLN  24   4.549   0.954   2.429
  154   HE21  GLN  24          1HE2      GLN  24   5.717   0.731   4.239
  155   HE22  GLN  24          2HE2      GLN  24   7.094  -0.303   4.387
  156    H    CYS  25           HN       CYS  25   6.093  -2.705  -0.949
  157    HA   CYS  25           HA       CYS  25   3.924  -2.805  -2.890
  158    HB2  CYS  25           HB2      CYS  25   6.290  -4.660  -2.478
  159    HB3  CYS  25           HB1      CYS  25   4.899  -5.095  -3.467
  160    H    PHE  26           HN       PHE  26   2.217  -4.156  -2.448
  161    HA   PHE  26           HA       PHE  26   2.132  -4.980   0.383
  162    HB2  PHE  26           HB2      PHE  26  -0.119  -3.945  -1.322
  163    HB3  PHE  26           HB1      PHE  26  -0.199  -4.314   0.393
  164    HD1  PHE  26           HD1      PHE  26   1.295  -2.963   1.956
  165    HD2  PHE  26           HD2      PHE  26   0.498  -1.839  -2.072
  166    HE1  PHE  26           HE1      PHE  26   1.954  -0.652   2.461
  167    HE2  PHE  26           HE2      PHE  26   1.151   0.438  -1.584
  168    HZ   PHE  26           HZ       PHE  26   1.881   1.057   0.691
  169    HA   PRO  27           HA       PRO  27   1.384  -8.943  -1.795
  170    HB2  PRO  27           HB2      PRO  27   1.771 -10.099   0.868
  171    HB3  PRO  27           HB1      PRO  27   2.679 -10.392  -0.615
  172    HG2  PRO  27           HG2      PRO  27   3.728  -9.043   1.456
  173    HG3  PRO  27           HG1      PRO  27   4.138  -8.656  -0.219
  174    HD2  PRO  27           HD2      PRO  27   2.254  -7.269   1.643
  175    HD3  PRO  27           HD1      PRO  27   3.408  -6.574   0.484
  176    H    ASP  28           HN       ASP  28  -0.126  -7.589   0.946
  177    HA   ASP  28           HA       ASP  28  -2.491  -9.269   0.485
  178    HB2  ASP  28           HB2      ASP  28  -2.960  -9.442   2.839
  179    HB3  ASP  28           HB1      ASP  28  -1.297  -9.949   2.597
  Start of MODEL    9
    1    H1   GLY   1           HN       GLY   1  -1.311  -6.287   0.188
    2    HA2  GLY   1           HA2      GLY   1  -2.628  -4.446  -0.531
    3    HA3  GLY   1           HA1      GLY   1  -3.998  -5.122   0.340
    4    H    PHE   2           HN       PHE   2  -3.400  -2.457   0.585
    5    HA   PHE   2           HA       PHE   2  -2.892  -2.243   3.442
    6    HB2  PHE   2           HB2      PHE   2  -0.663  -1.973   2.578
    7    HB3  PHE   2           HB1      PHE   2  -1.220  -0.843   1.362
    8    HD1  PHE   2           HD1      PHE   2  -1.005   1.409   1.742
    9    HD2  PHE   2           HD2      PHE   2  -1.006  -1.247   5.065
   10    HE1  PHE   2           HE1      PHE   2  -0.448   3.265   3.201
   11    HE2  PHE   2           HE2      PHE   2  -0.448   0.636   6.556
   12    HZ   PHE   2           HZ       PHE   2  -0.166   2.893   5.628
   13    H    CYS   3           HN       CYS   3  -4.133  -0.606   4.341
   14    HA   CYS   3           HA       CYS   3  -5.732   0.815   2.428
   15    HB2  CYS   3           HB2      CYS   3  -6.309   0.213   5.328
   16    HB3  CYS   3           HB1      CYS   3  -7.397   1.016   4.200
   17    H    TRP   4           HN       TRP   4  -5.660   2.841   2.307
   18    HA   TRP   4           HA       TRP   4  -4.512   4.606   4.267
   19    HB2  TRP   4           HB2      TRP   4  -2.461   3.786   3.389
   20    HB3  TRP   4           HB1      TRP   4  -3.052   3.845   1.737
   21    HD1  TRP   4           HD1      TRP   4  -1.982   6.226   4.559
   22    HE1  TRP   4           HE1      TRP   4  -1.149   8.409   3.480
   23    HE3  TRP   4          3HE       TRP   4  -3.042   5.131  -0.277
   24    HZ2  TRP   4           HZ2      TRP   4  -0.989   9.486   0.930
   25    HZ3  TRP   4           HZ3      TRP   4  -2.521   6.753  -2.005
   26    HH2  TRP   4          2HH       TRP   4  -1.501   8.924  -1.439
   27    H    HIS   5           HN       HIS   5  -4.758   6.902   3.633
   28    HA   HIS   5           HA       HIS   5  -5.902   8.623   2.885
   29    HB2  HIS   5           HB2      HIS   5  -4.548   7.586   0.877
   30    HB3  HIS   5           HB1      HIS   5  -6.166   7.405   0.180
   31    HD1  HIS   5           HD1      HIS   5  -6.905   9.461  -1.117
   32    HD2  HIS   5           HD2      HIS   5  -4.117  10.252   1.832
   33    HE1  HIS   5           HE1      HIS   5  -6.338  11.897  -1.374
   34    H    HIS   6           HN       HIS   6  -7.340   6.324   3.931
   35    HA   HIS   6           HA       HIS   6  -9.419   5.674   4.439
   36    HB2  HIS   6           HB2      HIS   6 -10.311   7.971   2.675
   37    HB3  HIS   6           HB1      HIS   6 -11.435   6.944   3.551
   38    HD1  HIS   6           HD1      HIS   6 -12.206   8.071   5.654
   39    HD2  HIS   6           HD2      HIS   6  -8.293   9.083   4.680
   40    HE1  HIS   6           HE1      HIS   6 -11.429   9.669   7.440
   41    H    SER   7           HN       SER   7  -8.090   5.339   1.539
   42    HA   SER   7           HA       SER   7 -10.187   3.603   0.461
   43    HB2  SER   7           HB2      SER   7  -7.680   4.741  -0.813
   44    HB3  SER   7           HB1      SER   7  -8.929   3.811  -1.639
   45    HG   SER   7           HG       SER   7 -10.328   5.591  -0.700
   46    H    CYS   8           HN       CYS   8  -8.651   1.781  -0.899
   47    HA   CYS   8           HA       CYS   8  -6.450   1.069   0.790
   48    HB2  CYS   8           HB2      CYS   8  -8.631   0.022   1.702
   49    HB3  CYS   8           HB1      CYS   8  -8.559  -0.963   0.228
   50    H    VAL   9           HN       VAL   9  -4.980  -0.003  -0.199
   51    HA   VAL   9           HA       VAL   9  -5.404  -0.351  -3.051
   52    HB   VAL   9           HB       VAL   9  -2.932  -0.392  -3.324
   53   HG11  VAL   9          HG11      VAL   9  -4.001   2.079  -1.978
   54   HG12  VAL   9          HG12      VAL   9  -4.035   1.724  -3.723
   55   HG13  VAL   9          3HG1      VAL   9  -2.494   1.991  -2.879
   56   HG21  VAL   9          HG21      VAL   9  -2.182  -1.025  -1.085
   57   HG22  VAL   9          HG22      VAL   9  -2.761   0.542  -0.460
   58   HG23  VAL   9          HG23      VAL   9  -1.449   0.488  -1.611
   59    HA   PRO  10           HA       PRO  10  -5.652  -4.603  -2.188
   60    HB2  PRO  10           HB2      PRO  10  -5.671  -5.560  -4.710
   61    HB3  PRO  10           HB1      PRO  10  -7.040  -4.688  -4.013
   62    HG2  PRO  10           HG2      PRO  10  -4.917  -3.706  -5.869
   63    HG3  PRO  10           HG1      PRO  10  -6.654  -3.361  -5.875
   64    HD2  PRO  10           HD2      PRO  10  -4.761  -1.665  -4.868
   65    HD3  PRO  10           HD1      PRO  10  -6.439  -1.687  -4.303
   66    H    SER  11           HN       SER  11  -4.602  -6.663  -2.605
   67    HA   SER  11           HA       SER  11  -1.871  -6.629  -2.256
   68    HB2  SER  11           HB2      SER  11  -2.154  -9.102  -2.826
   69    HB3  SER  11           HB1      SER  11  -3.099  -8.469  -1.480
   70    HG   SER  11           HG       SER  11  -4.615  -9.470  -2.615
   71    H    GLY  12           HN       GLY  12  -0.221  -6.513  -3.641
   72    HA2  GLY  12           HA2      GLY  12   0.753  -7.144  -5.790
   73    HA3  GLY  12           HA1      GLY  12  -0.827  -6.857  -6.501
   74    H    THR  13           HN       THR  13  -0.948  -4.440  -4.603
   75    HA   THR  13           HA       THR  13  -0.067  -2.589  -6.565
   76    HB   THR  13           HB       THR  13  -0.919  -2.012  -3.744
   77    HG1  THR  13           HG1      THR  13  -2.626  -3.043  -4.611
   78   HG21  THR  13          HG21      THR  13  -1.651   0.175  -4.646
   79   HG22  THR  13          HG22      THR  13  -1.022  -0.292  -6.226
   80   HG23  THR  13          HG23      THR  13   0.077  -0.095  -4.860
   81    H    CYS  14           HN       CYS  14   1.430  -1.102  -6.338
   82    HA   CYS  14           HA       CYS  14   3.435  -1.112  -4.243
   83    HB2  CYS  14           HB2      CYS  14   4.121  -1.391  -7.199
   84    HB3  CYS  14           HB1      CYS  14   5.273  -1.063  -5.921
   85    H    ALA  15           HN       ALA  15   3.816   0.959  -3.800
   86    HA   ALA  15           HA       ALA  15   3.551   2.983  -5.852
   87    HB1  ALA  15           HB1      ALA  15   1.818   4.258  -4.677
   88    HB2  ALA  15           HB2      ALA  15   1.684   2.960  -3.489
   89    HB3  ALA  15           HB3      ALA  15   1.219   2.667  -5.163
   90    H    ASP  16           HN       ASP  16   4.044   5.148  -4.958
   91    HA   ASP  16           HA       ASP  16   6.076   4.880  -2.889
   92    HB2  ASP  16           HB2      ASP  16   6.693   5.904  -5.077
   93    HB3  ASP  16           HB1      ASP  16   5.522   7.179  -4.766
   94    H    PHE  17           HN       PHE  17   5.370   5.258  -0.956
   95    HA   PHE  17           HA       PHE  17   3.316   7.300  -0.484
   96    HB2  PHE  17           HB2      PHE  17   4.144   4.899   1.190
   97    HB3  PHE  17           HB1      PHE  17   2.880   5.991   1.641
   98    HD1  PHE  17           HD1      PHE  17   0.669   5.944   0.463
   99    HD2  PHE  17           HD2      PHE  17   3.785   3.191  -0.507
  100    HE1  PHE  17           HE1      PHE  17  -0.913   4.552  -0.717
  101    HE2  PHE  17           HE2      PHE  17   2.193   1.832  -1.681
  102    HZ   PHE  17           HZ       PHE  17  -0.176   2.490  -1.798
  103    HA   PRO  18           HA       PRO  18   6.455   9.411   1.979
  104    HB2  PRO  18           HB2      PRO  18   4.624   9.706   4.251
  105    HB3  PRO  18           HB1      PRO  18   5.304  10.952   3.202
  106    HG2  PRO  18           HG2      PRO  18   2.705  10.316   3.101
  107    HG3  PRO  18           HG1      PRO  18   3.608  10.743   1.638
  108    HD2  PRO  18           HD2      PRO  18   2.878   8.014   2.665
  109    HD3  PRO  18           HD1      PRO  18   2.752   8.672   1.017
  110    H    TRP  19           HN       TRP  19   7.750   9.235   3.923
  111    HA   TRP  19           HA       TRP  19   8.220   6.644   4.932
  112    HB2  TRP  19           HB2      TRP  19   9.783   8.699   4.900
  113    HB3  TRP  19           HB1      TRP  19   8.906   9.254   6.315
  114    HD1  TRP  19           HD1      TRP  19  11.474   6.666   5.196
  115    HE1  TRP  19           HE1      TRP  19  12.562   5.616   7.275
  116    HE3  TRP  19          3HE       TRP  19   8.474   8.687   8.745
  117    HZ2  TRP  19           HZ2      TRP  19  12.189   5.655  10.084
  118    HZ3  TRP  19           HZ3      TRP  19   8.891   8.140  11.133
  119    HH2  TRP  19          2HH       TRP  19  10.710   6.652  11.770
  120    HA   PRO  20           HA       PRO  20   8.826   5.570   6.880
  121    HB2  PRO  20           HB2      PRO  20   7.969   3.536   8.315
  122    HB3  PRO  20           HB1      PRO  20   8.343   5.083   9.089
  123    HG2  PRO  20           HG2      PRO  20   5.681   3.951   8.315
  124    HG3  PRO  20           HG1      PRO  20   6.147   4.754   9.823
  125    HD2  PRO  20           HD2      PRO  20   4.863   6.011   7.719
  126    HD3  PRO  20           HD1      PRO  20   5.856   6.841   8.934
  127    H    LEU  21           HN       LEU  21   6.185   5.456   5.010
  128    HA   LEU  21           HA       LEU  21   6.223   2.643   4.431
  129    HB2  LEU  21           HB2      LEU  21   4.816   4.975   3.166
  130    HB3  LEU  21           HB1      LEU  21   4.612   3.309   2.651
  131    HG   LEU  21           HG       LEU  21   3.940   4.266   5.440
  132   HD11  LEU  21          HD11      LEU  21   1.615   4.248   4.687
  133   HD12  LEU  21          HD12      LEU  21   2.154   3.903   3.042
  134   HD13  LEU  21          HD13      LEU  21   2.561   5.446   3.799
  135   HD21  LEU  21          HD21      LEU  21   2.661   2.209   5.512
  136   HD22  LEU  21          HD22      LEU  21   4.360   1.860   5.141
  137   HD23  LEU  21          HD23      LEU  21   3.144   1.860   3.854
  138    H    GLY  22           HN       GLY  22   6.941   5.630   2.613
  139    HA2  GLY  22           HA2      GLY  22   8.397   5.963   0.851
  140    HA3  GLY  22           HA1      GLY  22   9.227   4.483   1.340
  141    H    HIS  23           HN       HIS  23   9.377   3.585  -0.763
  142    HA   HIS  23           HA       HIS  23   6.876   3.183  -2.172
  143    HB2  HIS  23           HB2      HIS  23   9.028   3.581  -3.484
  144    HB3  HIS  23           HB1      HIS  23   9.592   2.025  -2.882
  145    HD1  HIS  23           HD1      HIS  23   7.367   3.553  -5.448
  146    HD2  HIS  23           HD2      HIS  23   8.281  -0.169  -3.913
  147    HE1  HIS  23           HE1      HIS  23   6.276   1.887  -7.000
  148    H    GLN  24           HN       GLN  24   5.626   1.571  -1.762
  149    HA   GLN  24           HA       GLN  24   6.751  -0.785  -0.394
  150    HB2  GLN  24           HB2      GLN  24   4.151   0.612   0.146
  151    HB3  GLN  24           HB1      GLN  24   4.583  -0.951   0.794
  152    HG2  GLN  24           HG2      GLN  24   6.095   1.583   1.332
  153    HG3  GLN  24           HG1      GLN  24   4.805   0.960   2.351
  154   HE21  GLN  24          1HE2      GLN  24   6.046   0.695   4.090
  155   HE22  GLN  24          2HE2      GLN  24   7.303  -0.483   4.243
  156    H    CYS  25           HN       CYS  25   6.028  -2.691  -1.073
  157    HA   CYS  25           HA       CYS  25   3.843  -2.777  -2.991
  158    HB2  CYS  25           HB2      CYS  25   6.180  -4.643  -2.538
  159    HB3  CYS  25           HB1      CYS  25   4.784  -5.088  -3.513
  160    H    PHE  26           HN       PHE  26   2.140  -4.200  -2.500
  161    HA   PHE  26           HA       PHE  26   2.148  -4.956   0.352
  162    HB2  PHE  26           HB2      PHE  26  -0.193  -4.017  -1.273
  163    HB3  PHE  26           HB1      PHE  26  -0.183  -4.349   0.455
  164    HD1  PHE  26           HD1      PHE  26   1.693  -3.052   1.777
  165    HD2  PHE  26           HD2      PHE  26   0.033  -1.840  -1.956
  166    HE1  PHE  26           HE1      PHE  26   2.398  -0.732   2.192
  167    HE2  PHE  26           HE2      PHE  26   0.732   0.410  -1.543
  168    HZ   PHE  26           HZ       PHE  26   1.904   1.005   0.492
  169    HA   PRO  27           HA       PRO  27   1.603  -9.071  -1.516
  170    HB2  PRO  27           HB2      PRO  27   1.645  -9.773   1.363
  171    HB3  PRO  27           HB1      PRO  27   2.589 -10.444   0.030
  172    HG2  PRO  27           HG2      PRO  27   3.694  -8.806   1.827
  173    HG3  PRO  27           HG1      PRO  27   4.159  -8.758   0.119
  174    HD2  PRO  27           HD2      PRO  27   2.431  -6.900   1.673
  175    HD3  PRO  27           HD1      PRO  27   3.572  -6.551   0.360
  176    H    ASP  28           HN       ASP  28  -0.161  -7.642   1.158
  177    HA   ASP  28           HA       ASP  28  -2.475  -9.305   0.412
  178    HB2  ASP  28           HB2      ASP  28  -3.236  -9.388   2.682
  179    HB3  ASP  28           HB1      ASP  28  -1.557  -9.904   2.674
  Start of MODEL   10
    1    H1   GLY   1           HN       GLY   1  -1.508  -6.409  -0.054
    2    HA2  GLY   1           HA2      GLY   1  -2.590  -4.459  -0.739
    3    HA3  GLY   1           HA1      GLY   1  -4.058  -5.023   0.043
    4    H    PHE   2           HN       PHE   2  -3.593  -2.469   0.426
    5    HA   PHE   2           HA       PHE   2  -2.956  -2.323   3.241
    6    HB2  PHE   2           HB2      PHE   2  -0.779  -1.975   2.210
    7    HB3  PHE   2           HB1      PHE   2  -1.446  -0.736   1.165
    8    HD1  PHE   2           HD1      PHE   2  -0.917   1.404   1.717
    9    HD2  PHE   2           HD2      PHE   2  -1.285  -1.477   4.820
   10    HE1  PHE   2           HE1      PHE   2  -0.295   3.096   3.329
   11    HE2  PHE   2           HE2      PHE   2  -0.670   0.215   6.472
   12    HZ   PHE   2           HZ       PHE   2  -0.154   2.525   5.744
   13    H    CYS   3           HN       CYS   3  -4.352  -0.894   4.184
   14    HA   CYS   3           HA       CYS   3  -5.936   0.668   2.309
   15    HB2  CYS   3           HB2      CYS   3  -6.705  -0.315   5.062
   16    HB3  CYS   3           HB1      CYS   3  -7.737   0.583   3.952
   17    H    TRP   4           HN       TRP   4  -5.570   2.686   2.287
   18    HA   TRP   4           HA       TRP   4  -4.707   4.151   4.643
   19    HB2  TRP   4           HB2      TRP   4  -2.614   3.408   3.859
   20    HB3  TRP   4           HB1      TRP   4  -3.072   3.619   2.179
   21    HD1  TRP   4           HD1      TRP   4  -2.139   5.723   5.261
   22    HE1  TRP   4           HE1      TRP   4  -1.153   7.937   4.415
   23    HE3  TRP   4          3HE       TRP   4  -2.902   5.033   0.301
   24    HZ2  TRP   4           HZ2      TRP   4  -0.776   9.203   1.965
   25    HZ3  TRP   4           HZ3      TRP   4  -2.208   6.728  -1.267
   26    HH2  TRP   4          2HH       TRP   4  -1.142   8.832  -0.476
   27    H    HIS   5           HN       HIS   5  -4.794   6.556   4.264
   28    HA   HIS   5           HA       HIS   5  -5.946   8.349   3.741
   29    HB2  HIS   5           HB2      HIS   5  -4.424   7.693   1.698
   30    HB3  HIS   5           HB1      HIS   5  -5.978   7.545   0.866
   31    HD1  HIS   5           HD1      HIS   5  -6.727   9.724  -0.188
   32    HD2  HIS   5           HD2      HIS   5  -4.272  10.203   3.106
   33    HE1  HIS   5           HE1      HIS   5  -6.347  12.218   0.014
   34    H    HIS   6           HN       HIS   6  -7.475   5.905   4.312
   35    HA   HIS   6           HA       HIS   6  -9.557   5.166   4.506
   36    HB2  HIS   6           HB2      HIS   6 -10.326   7.807   3.246
   37    HB3  HIS   6           HB1      HIS   6 -11.519   6.631   3.783
   38    HD1  HIS   6           HD1      HIS   6 -11.734   9.279   5.155
   39    HD2  HIS   6           HD2      HIS   6  -9.132   6.321   6.494
   40    HE1  HIS   6           HE1      HIS   6 -11.321   9.758   7.583
   41    H    SER   7           HN       SER   7  -7.996   5.349   1.808
   42    HA   SER   7           HA       SER   7  -9.967   3.989   0.162
   43    HB2  SER   7           HB2      SER   7  -7.221   5.071  -0.532
   44    HB3  SER   7           HB1      SER   7  -8.468   4.538  -1.664
   45    HG   SER   7           HG       SER   7  -9.462   6.394  -0.002
   46    H    CYS   8           HN       CYS   8  -8.345   2.227  -1.205
   47    HA   CYS   8           HA       CYS   8  -6.366   1.195   0.557
   48    HB2  CYS   8           HB2      CYS   8  -8.521   0.274   1.477
   49    HB3  CYS   8           HB1      CYS   8  -8.710  -0.551  -0.083
   50    H    VAL   9           HN       VAL   9  -4.958   0.136  -0.400
   51    HA   VAL   9           HA       VAL   9  -5.262  -0.097  -3.272
   52    HB   VAL   9           HB       VAL   9  -2.785  -0.395  -3.421
   53   HG11  VAL   9          HG11      VAL   9  -3.698   2.115  -2.037
   54   HG12  VAL   9          HG12      VAL   9  -3.669   1.824  -3.794
   55   HG13  VAL   9          3HG1      VAL   9  -2.160   1.919  -2.867
   56   HG21  VAL   9          HG21      VAL   9  -1.331   0.251  -1.620
   57   HG22  VAL   9          HG22      VAL   9  -2.271  -1.160  -1.123
   58   HG23  VAL   9          HG23      VAL   9  -2.688   0.476  -0.541
   59    HA   PRO  10           HA       PRO  10  -5.950  -4.390  -3.006
   60    HB2  PRO  10           HB2      PRO  10  -5.232  -5.087  -5.546
   61    HB3  PRO  10           HB1      PRO  10  -6.758  -4.298  -5.138
   62    HG2  PRO  10           HG2      PRO  10  -4.239  -3.111  -6.217
   63    HG3  PRO  10           HG1      PRO  10  -5.920  -2.768  -6.662
   64    HD2  PRO  10           HD2      PRO  10  -4.495  -1.155  -5.047
   65    HD3  PRO  10           HD1      PRO  10  -6.242  -1.370  -4.842
   66    H    SER  11           HN       SER  11  -4.896  -6.503  -3.308
   67    HA   SER  11           HA       SER  11  -2.234  -6.423  -2.341
   68    HB2  SER  11           HB2      SER  11  -3.629  -8.878  -3.413
   69    HB3  SER  11           HB1      SER  11  -2.465  -8.706  -2.086
   70    HG   SER  11           HG       SER  11  -4.554  -9.030  -1.362
   71    H    GLY  12           HN       GLY  12  -0.400  -6.578  -3.522
   72    HA2  GLY  12           HA2      GLY  12   0.736  -7.379  -5.521
   73    HA3  GLY  12           HA1      GLY  12  -0.750  -7.061  -6.398
   74    H    THR  13           HN       THR  13  -0.780  -4.587  -4.483
   75    HA   THR  13           HA       THR  13   0.219  -2.822  -6.483
   76    HB   THR  13           HB       THR  13  -0.753  -2.212  -3.713
   77    HG1  THR  13           HG1      THR  13  -2.482  -3.033  -4.646
   78   HG21  THR  13          HG21      THR  13  -1.290   0.053  -4.583
   79   HG22  THR  13          HG22      THR  13  -0.601  -0.394  -6.137
   80   HG23  THR  13          HG23      THR  13   0.429  -0.305  -4.711
   81    H    CYS  14           HN       CYS  14   1.729  -1.343  -6.207
   82    HA   CYS  14           HA       CYS  14   3.646  -1.328  -4.044
   83    HB2  CYS  14           HB2      CYS  14   4.475  -1.720  -6.955
   84    HB3  CYS  14           HB1      CYS  14   5.566  -1.357  -5.637
   85    H    ALA  15           HN       ALA  15   4.034   0.778  -3.653
   86    HA   ALA  15           HA       ALA  15   3.784   2.727  -5.770
   87    HB1  ALA  15           HB1      ALA  15   1.442   2.306  -5.235
   88    HB2  ALA  15           HB2      ALA  15   1.922   3.936  -4.743
   89    HB3  ALA  15           HB3      ALA  15   1.771   2.655  -3.537
   90    H    ASP  16           HN       ASP  16   4.102   4.920  -4.951
   91    HA   ASP  16           HA       ASP  16   6.050   4.955  -2.791
   92    HB2  ASP  16           HB2      ASP  16   6.757   6.057  -4.803
   93    HB3  ASP  16           HB1      ASP  16   5.272   6.993  -4.882
   94    H    PHE  17           HN       PHE  17   5.388   5.306  -0.844
   95    HA   PHE  17           HA       PHE  17   3.147   7.126  -0.341
   96    HB2  PHE  17           HB2      PHE  17   4.183   4.797   1.314
   97    HB3  PHE  17           HB1      PHE  17   2.880   5.819   1.811
   98    HD1  PHE  17           HD1      PHE  17   3.840   3.139  -0.481
   99    HD2  PHE  17           HD2      PHE  17   0.650   5.670   0.768
  100    HE1  PHE  17           HE1      PHE  17   2.275   1.766  -1.672
  101    HE2  PHE  17           HE2      PHE  17  -0.924   4.268  -0.435
  102    HZ   PHE  17           HZ       PHE  17  -0.131   2.311  -1.672
  103    HA   PRO  18           HA       PRO  18   5.990   9.692   1.935
  104    HB2  PRO  18           HB2      PRO  18   4.223   9.734   4.298
  105    HB3  PRO  18           HB1      PRO  18   4.704  11.065   3.243
  106    HG2  PRO  18           HG2      PRO  18   2.208  10.083   3.191
  107    HG3  PRO  18           HG1      PRO  18   3.019  10.649   1.720
  108    HD2  PRO  18           HD2      PRO  18   2.627   7.837   2.692
  109    HD3  PRO  18           HD1      PRO  18   2.452   8.510   1.057
  110    H    TRP  19           HN       TRP  19   7.374   9.792   3.800
  111    HA   TRP  19           HA       TRP  19   8.426   7.389   4.769
  112    HB2  TRP  19           HB2      TRP  19   9.556   9.649   4.718
  113    HB3  TRP  19           HB1      TRP  19   8.546  10.121   6.075
  114    HD1  TRP  19           HD1      TRP  19  11.578   7.976   5.198
  115    HE1  TRP  19           HE1      TRP  19  12.773   7.310   7.359
  116    HE3  TRP  19          3HE       TRP  19   8.156   9.685   8.482
  117    HZ2  TRP  19           HZ2      TRP  19  12.314   7.511  10.164
  118    HZ3  TRP  19           HZ3      TRP  19   8.576   9.435  10.930
  119    HH2  TRP  19          2HH       TRP  19  10.620   8.361  11.736
  120    HA   PRO  20           HA       PRO  20   9.249   6.342   6.311
  121    HB2  PRO  20           HB2      PRO  20   9.065   4.261   7.988
  122    HB3  PRO  20           HB1      PRO  20   9.452   5.892   8.544
  123    HG2  PRO  20           HG2      PRO  20   6.992   4.333   8.936
  124    HG3  PRO  20           HG1      PRO  20   7.575   5.754   9.813
  125    HD2  PRO  20           HD2      PRO  20   5.630   5.616   7.656
  126    HD3  PRO  20           HD1      PRO  20   6.068   7.003   8.672
  127    H    LEU  21           HN       LEU  21   6.476   5.677   4.936
  128    HA   LEU  21           HA       LEU  21   6.666   2.856   4.554
  129    HB2  LEU  21           HB2      LEU  21   5.027   5.032   3.286
  130    HB3  LEU  21           HB1      LEU  21   4.902   3.351   2.812
  131    HG   LEU  21           HG       LEU  21   4.364   4.289   5.639
  132   HD11  LEU  21          HD11      LEU  21   1.997   4.160   5.062
  133   HD12  LEU  21          HD12      LEU  21   2.419   3.808   3.386
  134   HD13  LEU  21          HD13      LEU  21   2.803   5.388   4.081
  135   HD21  LEU  21          HD21      LEU  21   3.196   2.168   5.787
  136   HD22  LEU  21          HD22      LEU  21   4.884   1.905   5.315
  137   HD23  LEU  21          HD23      LEU  21   3.594   1.838   4.103
  138    H    GLY  22           HN       GLY  22   7.093   5.714   2.458
  139    HA2  GLY  22           HA2      GLY  22   8.443   6.004   0.607
  140    HA3  GLY  22           HA1      GLY  22   9.336   4.561   1.099
  141    H    HIS  23           HN       HIS  23   9.382   3.665  -1.021
  142    HA   HIS  23           HA       HIS  23   6.838   3.142  -2.275
  143    HB2  HIS  23           HB2      HIS  23   8.910   3.586  -3.674
  144    HB3  HIS  23           HB1      HIS  23   9.577   2.078  -3.066
  145    HD1  HIS  23           HD1      HIS  23   7.411   3.437  -5.758
  146    HD2  HIS  23           HD2      HIS  23   8.148  -0.185  -3.898
  147    HE1  HIS  23           HE1      HIS  23   6.425   1.685  -7.261
  148    H    GLN  24           HN       GLN  24   5.620   1.599  -1.644
  149    HA   GLN  24           HA       GLN  24   6.802  -0.695  -0.232
  150    HB2  GLN  24           HB2      GLN  24   4.275   0.821   0.307
  151    HB3  GLN  24           HB1      GLN  24   4.619  -0.746   1.016
  152    HG2  GLN  24           HG2      GLN  24   6.451   1.606   1.344
  153    HG3  GLN  24           HG1      GLN  24   5.099   1.272   2.430
  154   HE21  GLN  24          1HE2      GLN  24   5.230  -0.394   3.781
  155   HE22  GLN  24          2HE2      GLN  24   6.674  -1.278   4.076
  156    H    CYS  25           HN       CYS  25   6.057  -2.688  -0.731
  157    HA   CYS  25           HA       CYS  25   3.954  -2.925  -2.750
  158    HB2  CYS  25           HB2      CYS  25   6.265  -4.757  -2.079
  159    HB3  CYS  25           HB1      CYS  25   4.925  -5.252  -3.106
  160    H    PHE  26           HN       PHE  26   2.277  -4.417  -2.363
  161    HA   PHE  26           HA       PHE  26   2.067  -5.198   0.487
  162    HB2  PHE  26           HB2      PHE  26  -0.165  -4.108  -1.197
  163    HB3  PHE  26           HB1      PHE  26  -0.207  -4.433   0.526
  164    HD1  PHE  26           HD1      PHE  26   0.155  -1.980  -1.905
  165    HD2  PHE  26           HD2      PHE  26   1.666  -3.155   1.900
  166    HE1  PHE  26           HE1      PHE  26   0.915   0.256  -1.527
  167    HE2  PHE  26           HE2      PHE  26   2.424  -0.846   2.289
  168    HZ   PHE  26           HZ       PHE  26   2.035   0.866   0.527
  169    HA   PRO  27           HA       PRO  27   1.144  -9.086  -1.755
  170    HB2  PRO  27           HB2      PRO  27   1.455 -10.209   0.956
  171    HB3  PRO  27           HB1      PRO  27   2.290 -10.647  -0.537
  172    HG2  PRO  27           HG2      PRO  27   3.554  -9.321   1.414
  173    HG3  PRO  27           HG1      PRO  27   3.876  -8.975  -0.295
  174    HD2  PRO  27           HD2      PRO  27   2.181  -7.462   1.657
  175    HD3  PRO  27           HD1      PRO  27   3.334  -6.850   0.449
  176    H    ASP  28           HN       ASP  28  -0.344  -7.672   1.024
  177    HA   ASP  28           HA       ASP  28  -2.786  -9.213   0.437
  178    HB2  ASP  28           HB2      ASP  28  -3.431  -9.335   2.758
  179    HB3  ASP  28           HB1      ASP  28  -1.774  -9.899   2.659
  Start of MODEL   11
    1    H1   GLY   1           HN       GLY   1  -1.491  -6.511  -0.267
    2    HA2  GLY   1           HA2      GLY   1  -2.511  -4.494  -0.713
    3    HA3  GLY   1           HA1      GLY   1  -4.008  -5.164  -0.101
    4    H    PHE   2           HN       PHE   2  -3.597  -2.625   0.456
    5    HA   PHE   2           HA       PHE   2  -3.367  -2.596   3.346
    6    HB2  PHE   2           HB2      PHE   2  -1.051  -2.271   2.738
    7    HB3  PHE   2           HB1      PHE   2  -1.487  -1.051   1.561
    8    HD1  PHE   2           HD1      PHE   2  -1.187   1.111   2.117
    9    HD2  PHE   2           HD2      PHE   2  -1.816  -1.722   5.205
   10    HE1  PHE   2           HE1      PHE   2  -0.823   2.870   3.761
   11    HE2  PHE   2           HE2      PHE   2  -1.457   0.038   6.903
   12    HZ   PHE   2           HZ       PHE   2  -0.957   2.343   6.185
   13    H    CYS   3           HN       CYS   3  -4.772  -1.042   4.192
   14    HA   CYS   3           HA       CYS   3  -6.049   0.573   2.189
   15    HB2  CYS   3           HB2      CYS   3  -7.119  -0.376   4.850
   16    HB3  CYS   3           HB1      CYS   3  -7.991   0.639   3.708
   17    H    TRP   4           HN       TRP   4  -5.949   2.604   2.310
   18    HA   TRP   4           HA       TRP   4  -4.915   3.987   4.646
   19    HB2  TRP   4           HB2      TRP   4  -2.856   3.435   3.714
   20    HB3  TRP   4           HB1      TRP   4  -3.443   3.583   2.064
   21    HD1  TRP   4           HD1      TRP   4  -2.427   5.798   5.039
   22    HE1  TRP   4           HE1      TRP   4  -1.737   8.072   4.110
   23    HE3  TRP   4          3HE       TRP   4  -3.500   4.961   0.154
   24    HZ2  TRP   4           HZ2      TRP   4  -1.674   9.312   1.675
   25    HZ3  TRP   4           HZ3      TRP   4  -3.087   6.699  -1.467
   26    HH2  TRP   4          2HH       TRP   4  -2.170   8.900  -0.762
   27    H    HIS   5           HN       HIS   5  -5.148   6.319   4.529
   28    HA   HIS   5           HA       HIS   5  -6.852   7.806   4.528
   29    HB2  HIS   5           HB2      HIS   5  -5.191   8.122   2.108
   30    HB3  HIS   5           HB1      HIS   5  -6.555   9.229   2.328
   31    HD1  HIS   5           HD1      HIS   5  -3.770  10.467   2.404
   32    HD2  HIS   5           HD2      HIS   5  -5.646   8.924   5.775
   33    HE1  HIS   5           HE1      HIS   5  -2.706  11.601   4.382
   34    H    HIS   6           HN       HIS   6  -8.426   5.968   4.432
   35    HA   HIS   6           HA       HIS   6 -10.551   5.402   4.024
   36    HB2  HIS   6           HB2      HIS   6 -10.669   8.037   2.541
   37    HB3  HIS   6           HB1      HIS   6 -12.070   7.025   2.853
   38    HD1  HIS   6           HD1      HIS   6 -11.736   9.966   3.984
   39    HD2  HIS   6           HD2      HIS   6 -10.954   6.456   6.061
   40    HE1  HIS   6           HE1      HIS   6 -12.028  10.519   6.414
   41    H    SER   7           HN       SER   7  -8.312   5.100   1.910
   42    HA   SER   7           HA       SER   7 -10.013   3.981  -0.190
   43    HB2  SER   7           HB2      SER   7  -7.223   5.112  -0.503
   44    HB3  SER   7           HB1      SER   7  -8.378   4.706  -1.778
   45    HG   SER   7           HG       SER   7  -8.691   6.718   0.183
   46    H    CYS   8           HN       CYS   8  -8.141   2.395  -1.406
   47    HA   CYS   8           HA       CYS   8  -6.380   1.264   0.516
   48    HB2  CYS   8           HB2      CYS   8  -8.695   0.311   1.054
   49    HB3  CYS   8           HB1      CYS   8  -8.606  -0.430  -0.546
   50    H    VAL   9           HN       VAL   9  -4.931  -0.015  -0.375
   51    HA   VAL   9           HA       VAL   9  -5.002  -0.104  -3.266
   52    HB   VAL   9           HB       VAL   9  -2.501  -0.365  -3.210
   53   HG11  VAL   9          HG11      VAL   9  -3.578   2.153  -1.957
   54   HG12  VAL   9          HG12      VAL   9  -3.415   1.838  -3.702
   55   HG13  VAL   9          3HG1      VAL   9  -1.978   1.983  -2.665
   56   HG21  VAL   9          HG21      VAL   9  -2.733   0.493  -0.333
   57   HG22  VAL   9          HG22      VAL   9  -1.257   0.417  -1.279
   58   HG23  VAL   9          HG23      VAL   9  -2.130  -1.077  -0.915
   59    HA   PRO  10           HA       PRO  10  -5.688  -4.360  -2.722
   60    HB2  PRO  10           HB2      PRO  10  -5.392  -5.148  -5.297
   61    HB3  PRO  10           HB1      PRO  10  -6.807  -4.269  -4.705
   62    HG2  PRO  10           HG2      PRO  10  -4.452  -3.273  -6.231
   63    HG3  PRO  10           HG1      PRO  10  -6.155  -2.806  -6.366
   64    HD2  PRO  10           HD2      PRO  10  -4.247  -1.349  -5.036
   65    HD3  PRO  10           HD1      PRO  10  -5.976  -1.266  -4.670
   66    H    SER  11           HN       SER  11  -4.772  -6.507  -3.177
   67    HA   SER  11           HA       SER  11  -2.063  -6.649  -2.454
   68    HB2  SER  11           HB2      SER  11  -3.631  -8.914  -3.697
   69    HB3  SER  11           HB1      SER  11  -2.377  -8.929  -2.438
   70    HG   SER  11           HG       SER  11  -4.360  -9.258  -1.535
   71    H    GLY  12           HN       GLY  12  -0.308  -6.670  -3.734
   72    HA2  GLY  12           HA2      GLY  12   0.843  -7.354  -5.745
   73    HA3  GLY  12           HA1      GLY  12  -0.675  -7.156  -6.618
   74    H    THR  13           HN       THR  13  -0.752  -4.665  -4.649
   75    HA   THR  13           HA       THR  13   0.368  -2.881  -6.606
   76    HB   THR  13           HB       THR  13  -1.238  -2.445  -4.124
   77    HG1  THR  13           HG1      THR  13  -1.855  -3.085  -6.655
   78   HG21  THR  13          HG21      THR  13  -0.406  -0.392  -6.183
   79   HG22  THR  13          HG22      THR  13   0.014  -0.413  -4.461
   80   HG23  THR  13          HG23      THR  13  -1.646  -0.115  -4.962
   81    H    CYS  14           HN       CYS  14   1.640  -1.248  -6.020
   82    HA   CYS  14           HA       CYS  14   3.320  -1.281  -3.672
   83    HB2  CYS  14           HB2      CYS  14   4.429  -1.436  -6.502
   84    HB3  CYS  14           HB1      CYS  14   5.375  -1.123  -5.061
   85    H    ALA  15           HN       ALA  15   3.552   0.835  -3.153
   86    HA   ALA  15           HA       ALA  15   3.298   2.795  -5.289
   87    HB1  ALA  15           HB1      ALA  15   1.537   4.054  -4.173
   88    HB2  ALA  15           HB2      ALA  15   1.463   2.845  -2.894
   89    HB3  ALA  15           HB3      ALA  15   0.994   2.416  -4.539
   90    H    ASP  16           HN       ASP  16   3.836   4.930  -4.637
   91    HA   ASP  16           HA       ASP  16   5.958   4.961  -2.666
   92    HB2  ASP  16           HB2      ASP  16   6.383   6.005  -4.829
   93    HB3  ASP  16           HB1      ASP  16   4.993   7.057  -4.613
   94    H    PHE  17           HN       PHE  17   5.264   5.150  -0.704
   95    HA   PHE  17           HA       PHE  17   3.246   7.149  -0.060
   96    HB2  PHE  17           HB2      PHE  17   4.392   4.864   1.588
   97    HB3  PHE  17           HB1      PHE  17   3.310   6.045   2.212
   98    HD1  PHE  17           HD1      PHE  17   1.000   5.844   2.066
   99    HD2  PHE  17           HD2      PHE  17   3.416   3.303  -0.381
  100    HE1  PHE  17           HE1      PHE  17  -0.953   4.541   1.450
  101    HE2  PHE  17           HE2      PHE  17   1.479   2.048  -0.977
  102    HZ   PHE  17           HZ       PHE  17  -0.736   2.635  -0.082
  103    HA   PRO  18           HA       PRO  18   6.318   9.831   1.721
  104    HB2  PRO  18           HB2      PRO  18   4.771   9.946   4.243
  105    HB3  PRO  18           HB1      PRO  18   5.205  11.252   3.135
  106    HG2  PRO  18           HG2      PRO  18   2.705  10.362   3.263
  107    HG3  PRO  18           HG1      PRO  18   3.432  10.817   1.712
  108    HD2  PRO  18           HD2      PRO  18   3.032   8.064   2.863
  109    HD3  PRO  18           HD1      PRO  18   2.750   8.649   1.212
  110    H    TRP  19           HN       TRP  19   7.890  10.033   3.419
  111    HA   TRP  19           HA       TRP  19   9.035   7.660   4.372
  112    HB2  TRP  19           HB2      TRP  19  10.201   9.873   4.017
  113    HB3  TRP  19           HB1      TRP  19   9.397  10.469   5.459
  114    HD1  TRP  19           HD1      TRP  19  12.262   8.234   4.332
  115    HE1  TRP  19           HE1      TRP  19  13.707   7.640   6.374
  116    HE3  TRP  19          3HE       TRP  19   9.286  10.109   7.962
  117    HZ2  TRP  19           HZ2      TRP  19  13.605   7.944   9.173
  118    HZ3  TRP  19           HZ3      TRP  19  10.014   9.935  10.337
  119    HH2  TRP  19          2HH       TRP  19  12.133   8.866  10.915
  120    HA   PRO  20           HA       PRO  20   9.990   6.614   5.803
  121    HB2  PRO  20           HB2      PRO  20  10.095   4.739   7.672
  122    HB3  PRO  20           HB1      PRO  20  10.498   6.418   8.049
  123    HG2  PRO  20           HG2      PRO  20   8.096   4.848   8.788
  124    HG3  PRO  20           HG1      PRO  20   8.837   6.226   9.616
  125    HD2  PRO  20           HD2      PRO  20   6.593   6.234   7.808
  126    HD3  PRO  20           HD1      PRO  20   7.331   7.614   8.642
  127    H    LEU  21           HN       LEU  21   7.107   6.024   4.816
  128    HA   LEU  21           HA       LEU  21   7.031   3.146   4.786
  129    HB2  LEU  21           HB2      LEU  21   5.364   5.281   3.474
  130    HB3  LEU  21           HB1      LEU  21   5.071   3.567   3.262
  131    HG   LEU  21           HG       LEU  21   4.996   4.911   5.967
  132   HD11  LEU  21          HD11      LEU  21   3.297   5.910   4.498
  133   HD12  LEU  21          HD12      LEU  21   2.564   4.883   5.730
  134   HD13  LEU  21          HD13      LEU  21   2.724   4.296   4.074
  135   HD21  LEU  21          HD21      LEU  21   3.900   2.327   4.915
  136   HD22  LEU  21          HD22      LEU  21   3.738   2.919   6.571
  137   HD23  LEU  21          HD23      LEU  21   5.332   2.476   5.938
  138    H    GLY  22           HN       GLY  22   7.284   5.729   2.347
  139    HA2  GLY  22           HA2      GLY  22   8.463   5.814   0.411
  140    HA3  GLY  22           HA1      GLY  22   9.380   4.407   0.949
  141    H    HIS  23           HN       HIS  23   9.336   3.298  -0.949
  142    HA   HIS  23           HA       HIS  23   6.831   2.866  -2.310
  143    HB2  HIS  23           HB2      HIS  23   9.040   3.123  -3.545
  144    HB3  HIS  23           HB1      HIS  23   9.517   1.579  -2.858
  145    HD1  HIS  23           HD1      HIS  23   7.854   3.055  -5.760
  146    HD2  HIS  23           HD2      HIS  23   7.868  -0.545  -3.742
  147    HE1  HIS  23           HE1      HIS  23   6.837   1.399  -7.341
  148    H    GLN  24           HN       GLN  24   5.555   1.708  -1.130
  149    HA   GLN  24           HA       GLN  24   6.491  -0.691   0.263
  150    HB2  GLN  24           HB2      GLN  24   3.987   0.949   0.431
  151    HB3  GLN  24           HB1      GLN  24   4.190  -0.581   1.267
  152    HG2  GLN  24           HG2      GLN  24   6.003   1.785   1.656
  153    HG3  GLN  24           HG1      GLN  24   4.588   1.431   2.658
  154   HE21  GLN  24          1HE2      GLN  24   4.640  -0.329   3.986
  155   HE22  GLN  24          2HE2      GLN  24   6.116  -1.102   4.398
  156    H    CYS  25           HN       CYS  25   5.942  -2.673  -0.410
  157    HA   CYS  25           HA       CYS  25   3.962  -2.902  -2.522
  158    HB2  CYS  25           HB2      CYS  25   6.342  -4.614  -1.814
  159    HB3  CYS  25           HB1      CYS  25   5.047  -5.206  -2.852
  160    H    PHE  26           HN       PHE  26   2.305  -4.407  -2.313
  161    HA   PHE  26           HA       PHE  26   1.956  -5.339   0.451
  162    HB2  PHE  26           HB2      PHE  26  -0.227  -4.160  -1.258
  163    HB3  PHE  26           HB1      PHE  26  -0.319  -4.590   0.443
  164    HD1  PHE  26           HD1      PHE  26   0.264  -2.011  -1.888
  165    HD2  PHE  26           HD2      PHE  26   1.291  -3.351   2.025
  166    HE1  PHE  26           HE1      PHE  26   0.951   0.214  -1.320
  167    HE2  PHE  26           HE2      PHE  26   1.969  -1.064   2.610
  168    HZ   PHE  26           HZ       PHE  26   1.796   0.725   0.918
  169    HA   PRO  27           HA       PRO  27   1.229  -9.131  -2.076
  170    HB2  PRO  27           HB2      PRO  27   1.488 -10.308   0.624
  171    HB3  PRO  27           HB1      PRO  27   2.322 -10.743  -0.870
  172    HG2  PRO  27           HG2      PRO  27   3.612  -9.472   1.077
  173    HG3  PRO  27           HG1      PRO  27   3.905  -9.074  -0.626
  174    HD2  PRO  27           HD2      PRO  27   2.262  -7.628   1.402
  175    HD3  PRO  27           HD1      PRO  27   3.385  -6.971   0.190
  176    H    ASP  28           HN       ASP  28  -0.298  -7.824   0.691
  177    HA   ASP  28           HA       ASP  28  -2.749  -9.318   0.088
  178    HB2  ASP  28           HB2      ASP  28  -3.281  -9.558   2.456
  179    HB3  ASP  28           HB1      ASP  28  -1.712 -10.277   2.134
  Start of MODEL   12
    1    H1   GLY   1           HN       GLY   1  -1.623  -6.438   0.010
    2    HA2  GLY   1           HA2      GLY   1  -2.795  -4.540  -0.636
    3    HA3  GLY   1           HA1      GLY   1  -4.232  -5.195   0.135
    4    H    PHE   2           HN       PHE   2  -3.450  -2.532   0.352
    5    HA   PHE   2           HA       PHE   2  -3.078  -2.359   3.251
    6    HB2  PHE   2           HB2      PHE   2  -0.847  -2.032   2.336
    7    HB3  PHE   2           HB1      PHE   2  -1.451  -0.826   1.217
    8    HD1  PHE   2           HD1      PHE   2  -1.627  -1.416   4.897
    9    HD2  PHE   2           HD2      PHE   2  -0.819   1.305   1.735
   10    HE1  PHE   2           HE1      PHE   2  -1.087   0.315   6.528
   11    HE2  PHE   2           HE2      PHE   2  -0.270   3.048   3.363
   12    HZ   PHE   2           HZ       PHE   2  -0.399   2.561   5.773
   13    H    CYS   3           HN       CYS   3  -4.575  -1.006   4.110
   14    HA   CYS   3           HA       CYS   3  -6.011   0.598   2.193
   15    HB2  CYS   3           HB2      CYS   3  -6.943  -0.434   4.882
   16    HB3  CYS   3           HB1      CYS   3  -7.890   0.549   3.772
   17    H    TRP   4           HN       TRP   4  -5.813   2.601   2.244
   18    HA   TRP   4           HA       TRP   4  -4.968   4.095   4.570
   19    HB2  TRP   4           HB2      TRP   4  -2.823   3.387   3.874
   20    HB3  TRP   4           HB1      TRP   4  -3.236   3.515   2.173
   21    HD1  TRP   4           HD1      TRP   4  -2.240   5.684   5.164
   22    HE1  TRP   4           HE1      TRP   4  -1.398   7.940   4.261
   23    HE3  TRP   4          3HE       TRP   4  -3.310   4.988   0.257
   24    HZ2  TRP   4           HZ2      TRP   4  -1.230   9.231   1.798
   25    HZ3  TRP   4           HZ3      TRP   4  -2.790   6.725  -1.337
   26    HH2  TRP   4          2HH       TRP   4  -1.755   8.858  -0.599
   27    H    HIS   5           HN       HIS   5  -5.112   6.482   4.169
   28    HA   HIS   5           HA       HIS   5  -6.165   8.291   3.532
   29    HB2  HIS   5           HB2      HIS   5  -4.548   7.606   1.600
   30    HB3  HIS   5           HB1      HIS   5  -6.048   7.409   0.687
   31    HD1  HIS   5           HD1      HIS   5  -6.509   9.510  -0.611
   32    HD2  HIS   5           HD2      HIS   5  -4.749  10.163   3.064
   33    HE1  HIS   5           HE1      HIS   5  -6.238  12.020  -0.436
   34    H    HIS   6           HN       HIS   6  -7.790   5.913   4.038
   35    HA   HIS   6           HA       HIS   6  -9.947   5.337   4.153
   36    HB2  HIS   6           HB2      HIS   6 -10.540   7.899   2.623
   37    HB3  HIS   6           HB1      HIS   6 -11.761   6.867   3.354
   38    HD1  HIS   6           HD1      HIS   6 -12.241   7.260   5.862
   39    HD2  HIS   6           HD2      HIS   6  -8.878   9.283   4.493
   40    HE1  HIS   6           HE1      HIS   6 -11.565   8.817   7.709
   41    H    SER   7           HN       SER   7  -8.168   5.180   1.586
   42    HA   SER   7           HA       SER   7 -10.150   3.745  -0.025
   43    HB2  SER   7           HB2      SER   7  -7.511   5.009  -0.862
   44    HB3  SER   7           HB1      SER   7  -8.643   4.193  -1.936
   45    HG   SER   7           HG       SER   7 -10.125   5.921  -0.852
   46    H    CYS   8           HN       CYS   8  -8.290   2.131  -1.428
   47    HA   CYS   8           HA       CYS   8  -6.395   1.150   0.470
   48    HB2  CYS   8           HB2      CYS   8  -8.673   0.075   1.033
   49    HB3  CYS   8           HB1      CYS   8  -8.525  -0.720  -0.534
   50    H    VAL   9           HN       VAL   9  -4.896  -0.099  -0.442
   51    HA   VAL   9           HA       VAL   9  -5.003  -0.134  -3.338
   52    HB   VAL   9           HB       VAL   9  -2.485  -0.310  -3.345
   53   HG11  VAL   9          HG11      VAL   9  -2.037   2.023  -2.763
   54   HG12  VAL   9          HG12      VAL   9  -3.642   2.125  -2.027
   55   HG13  VAL   9          3HG1      VAL   9  -3.476   1.831  -3.769
   56   HG21  VAL   9          HG21      VAL   9  -2.125  -1.104  -1.048
   57   HG22  VAL   9          HG22      VAL   9  -2.655   0.493  -0.450
   58   HG23  VAL   9          HG23      VAL   9  -1.208   0.352  -1.432
   59    HA   PRO  10           HA       PRO  10  -5.783  -4.429  -3.104
   60    HB2  PRO  10           HB2      PRO  10  -4.445  -4.629  -5.704
   61    HB3  PRO  10           HB1      PRO  10  -6.108  -5.002  -5.274
   62    HG2  PRO  10           HG2      PRO  10  -5.314  -2.823  -6.702
   63    HG3  PRO  10           HG1      PRO  10  -6.825  -2.911  -5.787
   64    HD2  PRO  10           HD2      PRO  10  -4.377  -1.396  -5.255
   65    HD3  PRO  10           HD1      PRO  10  -6.018  -1.175  -4.618
   66    H    SER  11           HN       SER  11  -4.732  -6.534  -3.239
   67    HA   SER  11           HA       SER  11  -2.086  -6.511  -2.275
   68    HB2  SER  11           HB2      SER  11  -2.421  -9.025  -2.556
   69    HB3  SER  11           HB1      SER  11  -3.510  -8.197  -1.453
   70    HG   SER  11           HG       SER  11  -4.509  -9.669  -3.005
   71    H    GLY  12           HN       GLY  12  -0.257  -6.659  -3.415
   72    HA2  GLY  12           HA2      GLY  12   1.029  -7.407  -5.278
   73    HA3  GLY  12           HA1      GLY  12  -0.443  -7.415  -6.242
   74    H    THR  13           HN       THR  13  -0.583  -4.731  -4.409
   75    HA   THR  13           HA       THR  13   0.203  -3.065  -6.626
   76    HB   THR  13           HB       THR  13  -1.029  -2.321  -3.982
   77    HG1  THR  13           HG1      THR  13  -2.527  -3.451  -4.880
   78   HG21  THR  13          HG21      THR  13  -0.864  -0.768  -6.581
   79   HG22  THR  13          HG22      THR  13  -0.098  -0.351  -5.036
   80   HG23  THR  13          HG23      THR  13  -1.848  -0.303  -5.195
   81    H    CYS  14           HN       CYS  14   1.520  -1.260  -6.262
   82    HA   CYS  14           HA       CYS  14   3.315  -1.212  -3.983
   83    HB2  CYS  14           HB2      CYS  14   4.264  -1.173  -6.879
   84    HB3  CYS  14           HB1      CYS  14   5.271  -0.898  -5.473
   85    H    ALA  15           HN       ALA  15   3.535   0.880  -3.343
   86    HA   ALA  15           HA       ALA  15   2.988   3.014  -5.236
   87    HB1  ALA  15           HB1      ALA  15   1.241   4.005  -3.857
   88    HB2  ALA  15           HB2      ALA  15   1.330   2.642  -2.745
   89    HB3  ALA  15           HB3      ALA  15   0.766   2.394  -4.397
   90    H    ASP  16           HN       ASP  16   3.676   5.122  -4.430
   91    HA   ASP  16           HA       ASP  16   5.608   4.839  -2.348
   92    HB2  ASP  16           HB2      ASP  16   6.482   6.900  -3.208
   93    HB3  ASP  16           HB1      ASP  16   6.423   5.694  -4.488
   94    H    PHE  17           HN       PHE  17   5.226   5.414  -0.508
   95    HA   PHE  17           HA       PHE  17   3.186   7.431   0.082
   96    HB2  PHE  17           HB2      PHE  17   4.056   4.981   1.607
   97    HB3  PHE  17           HB1      PHE  17   2.951   6.110   2.283
   98    HD1  PHE  17           HD1      PHE  17   1.319   6.745  -0.170
   99    HD2  PHE  17           HD2      PHE  17   2.665   3.027   1.385
  100    HE1  PHE  17           HE1      PHE  17  -0.569   5.613  -1.230
  101    HE2  PHE  17           HE2      PHE  17   0.775   1.913   0.336
  102    HZ   PHE  17           HZ       PHE  17  -0.844   3.191  -0.983
  103    HA   PRO  18           HA       PRO  18   6.241   9.807   2.240
  104    HB2  PRO  18           HB2      PRO  18   4.708   9.641   4.763
  105    HB3  PRO  18           HB1      PRO  18   5.192  11.066   3.841
  106    HG2  PRO  18           HG2      PRO  18   2.653  10.237   3.879
  107    HG3  PRO  18           HG1      PRO  18   3.381  10.926   2.420
  108    HD2  PRO  18           HD2      PRO  18   2.809   8.066   3.080
  109    HD3  PRO  18           HD1      PRO  18   2.676   8.901   1.531
  110    H    TRP  19           HN       TRP  19   7.820   9.766   3.936
  111    HA   TRP  19           HA       TRP  19   8.924   7.269   4.589
  112    HB2  TRP  19           HB2      TRP  19  10.089   9.539   4.461
  113    HB3  TRP  19           HB1      TRP  19   9.370   9.903   6.021
  114    HD1  TRP  19           HD1      TRP  19  12.107   7.828   4.391
  115    HE1  TRP  19           HE1      TRP  19  13.688   6.946   6.204
  116    HE3  TRP  19          3HE       TRP  19   9.438   9.210   8.449
  117    HZ2  TRP  19           HZ2      TRP  19  13.792   6.859   9.032
  118    HZ3  TRP  19           HZ3      TRP  19  10.332   8.703  10.718
  119    HH2  TRP  19          2HH       TRP  19  12.466   7.547  10.987
  120    HA   PRO  20           HA       PRO  20   9.905   6.109   5.970
  121    HB2  PRO  20           HB2      PRO  20   9.865   3.955   7.540
  122    HB3  PRO  20           HB1      PRO  20  10.363   5.539   8.142
  123    HG2  PRO  20           HG2      PRO  20   7.889   4.022   8.684
  124    HG3  PRO  20           HG1      PRO  20   8.663   5.288   9.646
  125    HD2  PRO  20           HD2      PRO  20   6.446   5.534   7.810
  126    HD3  PRO  20           HD1      PRO  20   7.181   6.795   8.818
  127    H    LEU  21           HN       LEU  21   6.937   5.648   4.874
  128    HA   LEU  21           HA       LEU  21   6.988   2.846   4.367
  129    HB2  LEU  21           HB2      LEU  21   5.282   5.115   3.366
  130    HB3  LEU  21           HB1      LEU  21   5.050   3.446   2.881
  131    HG   LEU  21           HG       LEU  21   4.876   4.338   5.768
  132   HD11  LEU  21          HD11      LEU  21   3.173   5.508   4.441
  133   HD12  LEU  21          HD12      LEU  21   2.450   4.268   5.471
  134   HD13  LEU  21          HD13      LEU  21   2.670   3.966   3.746
  135   HD21  LEU  21          HD21      LEU  21   3.677   2.248   6.018
  136   HD22  LEU  21          HD22      LEU  21   5.287   1.951   5.334
  137   HD23  LEU  21          HD23      LEU  21   3.856   1.953   4.291
  138    H    GLY  22           HN       GLY  22   7.270   5.792   2.358
  139    HA2  GLY  22           HA2      GLY  22   8.412   6.109   0.377
  140    HA3  GLY  22           HA1      GLY  22   9.377   4.690   0.787
  141    H    HIS  23           HN       HIS  23   9.289   3.737  -1.276
  142    HA   HIS  23           HA       HIS  23   6.649   3.175  -2.344
  143    HB2  HIS  23           HB2      HIS  23   8.673   3.762  -3.836
  144    HB3  HIS  23           HB1      HIS  23   9.281   2.161  -3.444
  145    HD1  HIS  23           HD1      HIS  23   6.950   3.943  -5.726
  146    HD2  HIS  23           HD2      HIS  23   7.728   0.080  -4.461
  147    HE1  HIS  23           HE1      HIS  23   5.736   2.451  -7.327
  148    H    GLN  24           HN       GLN  24   5.577   1.677  -1.414
  149    HA   GLN  24           HA       GLN  24   6.936  -0.722  -0.355
  150    HB2  GLN  24           HB2      GLN  24   4.353   0.609   0.369
  151    HB3  GLN  24           HB1      GLN  24   4.792  -0.949   1.003
  152    HG2  GLN  24           HG2      GLN  24   6.237   1.654   1.447
  153    HG3  GLN  24           HG1      GLN  24   5.138   0.875   2.575
  154   HE21  GLN  24          1HE2      GLN  24   6.646   0.712   4.170
  155   HE22  GLN  24          2HE2      GLN  24   7.997  -0.364   4.097
  156    H    CYS  25           HN       CYS  25   5.911  -2.739  -0.704
  157    HA   CYS  25           HA       CYS  25   3.814  -2.792  -2.735
  158    HB2  CYS  25           HB2      CYS  25   6.117  -4.723  -2.328
  159    HB3  CYS  25           HB1      CYS  25   4.753  -5.038  -3.397
  160    H    PHE  26           HN       PHE  26   2.155  -4.314  -2.388
  161    HA   PHE  26           HA       PHE  26   1.955  -4.976   0.486
  162    HB2  PHE  26           HB2      PHE  26  -0.297  -3.957  -1.239
  163    HB3  PHE  26           HB1      PHE  26  -0.276  -4.115   0.517
  164    HD1  PHE  26           HD1      PHE  26   1.478  -2.760   1.781
  165    HD2  PHE  26           HD2      PHE  26   0.328  -1.947  -2.240
  166    HE1  PHE  26           HE1      PHE  26   2.440  -0.513   1.942
  167    HE2  PHE  26           HE2      PHE  26   1.289   0.277  -2.070
  168    HZ   PHE  26           HZ       PHE  26   2.356   0.992   0.004
  169    HA   PRO  27           HA       PRO  27   1.214  -8.953  -1.635
  170    HB2  PRO  27           HB2      PRO  27   1.513  -9.938   1.135
  171    HB3  PRO  27           HB1      PRO  27   2.352 -10.452  -0.331
  172    HG2  PRO  27           HG2      PRO  27   3.614  -9.008   1.514
  173    HG3  PRO  27           HG1      PRO  27   3.895  -8.723  -0.212
  174    HD2  PRO  27           HD2      PRO  27   2.200  -7.171   1.708
  175    HD3  PRO  27           HD1      PRO  27   3.308  -6.586   0.447
  176    H    ASP  28           HN       ASP  28  -0.368  -7.621   1.184
  177    HA   ASP  28           HA       ASP  28  -2.730  -9.284   0.560
  178    HB2  ASP  28           HB2      ASP  28  -1.961  -8.289   3.322
  179    HB3  ASP  28           HB1      ASP  28  -3.410  -9.176   2.916
  Start of MODEL   13
    1    H1   GLY   1           HN       GLY   1  -1.404  -6.472  -0.005
    2    HA2  GLY   1           HA2      GLY   1  -2.592  -4.560  -0.638
    3    HA3  GLY   1           HA1      GLY   1  -4.068  -5.311  -0.053
    4    H    PHE   2           HN       PHE   2  -3.605  -2.685   0.477
    5    HA   PHE   2           HA       PHE   2  -3.538  -2.685   3.373
    6    HB2  PHE   2           HB2      PHE   2  -1.200  -2.404   2.924
    7    HB3  PHE   2           HB1      PHE   2  -1.522  -1.210   1.685
    8    HD1  PHE   2           HD1      PHE   2  -0.939   0.909   2.225
    9    HD2  PHE   2           HD2      PHE   2  -2.310  -1.667   5.319
   10    HE1  PHE   2           HE1      PHE   2  -0.575   2.678   3.818
   11    HE2  PHE   2           HE2      PHE   2  -1.952   0.122   6.965
   12    HZ   PHE   2           HZ       PHE   2  -1.071   2.309   6.231
   13    H    CYS   3           HN       CYS   3  -5.033  -1.246   4.126
   14    HA   CYS   3           HA       CYS   3  -6.167   0.554   2.180
   15    HB2  CYS   3           HB2      CYS   3  -7.367  -0.540   4.737
   16    HB3  CYS   3           HB1      CYS   3  -8.177   0.537   3.610
   17    H    TRP   4           HN       TRP   4  -5.973   2.579   2.466
   18    HA   TRP   4           HA       TRP   4  -5.221   3.813   4.967
   19    HB2  TRP   4           HB2      TRP   4  -3.064   3.082   4.394
   20    HB3  TRP   4           HB1      TRP   4  -3.327   3.347   2.683
   21    HD1  TRP   4           HD1      TRP   4  -2.359   5.205   5.885
   22    HE1  TRP   4           HE1      TRP   4  -1.344   7.493   5.176
   23    HE3  TRP   4          3HE       TRP   4  -3.289   4.963   0.904
   24    HZ2  TRP   4           HZ2      TRP   4  -1.037   8.936   2.849
   25    HZ3  TRP   4           HZ3      TRP   4  -2.612   6.764  -0.540
   26    HH2  TRP   4          2HH       TRP   4  -1.481   8.778   0.384
   27    H    HIS   5           HN       HIS   5  -5.221   6.211   4.811
   28    HA   HIS   5           HA       HIS   5  -6.385   8.054   4.439
   29    HB2  HIS   5           HB2      HIS   5  -4.391   7.857   2.737
   30    HB3  HIS   5           HB1      HIS   5  -5.689   7.811   1.552
   31    HD1  HIS   5           HD1      HIS   5  -5.846  10.131   0.589
   32    HD2  HIS   5           HD2      HIS   5  -5.299  10.055   4.680
   33    HE1  HIS   5           HE1      HIS   5  -5.929  12.555   1.325
   34    H    HIS   6           HN       HIS   6  -8.113   5.852   4.349
   35    HA   HIS   6           HA       HIS   6 -10.237   5.272   3.910
   36    HB2  HIS   6           HB2      HIS   6 -10.396   8.001   2.619
   37    HB3  HIS   6           HB1      HIS   6 -11.774   6.910   2.690
   38    HD1  HIS   6           HD1      HIS   6 -13.250   7.351   4.627
   39    HD2  HIS   6           HD2      HIS   6  -9.321   8.449   5.376
   40    HE1  HIS   6           HE1      HIS   6 -13.235   8.360   6.953
   41    H    SER   7           HN       SER   7  -7.986   5.487   1.631
   42    HA   SER   7           HA       SER   7  -9.629   4.301  -0.477
   43    HB2  SER   7           HB2      SER   7  -6.741   5.222  -0.512
   44    HB3  SER   7           HB1      SER   7  -7.758   4.845  -1.906
   45    HG   SER   7           HG       SER   7  -9.084   6.604  -0.562
   46    H    CYS   8           HN       CYS   8  -8.007   2.441  -1.580
   47    HA   CYS   8           HA       CYS   8  -6.400   1.224   0.429
   48    HB2  CYS   8           HB2      CYS   8  -8.675   0.424   1.003
   49    HB3  CYS   8           HB1      CYS   8  -8.761  -0.303  -0.617
   50    H    VAL   9           HN       VAL   9  -4.931   0.104  -0.355
   51    HA   VAL   9           HA       VAL   9  -4.922  -0.141  -3.234
   52    HB   VAL   9           HB       VAL   9  -2.456  -0.355  -3.131
   53   HG11  VAL   9          HG11      VAL   9  -1.955   2.000  -2.690
   54   HG12  VAL   9          HG12      VAL   9  -3.475   2.185  -1.842
   55   HG13  VAL   9          3HG1      VAL   9  -3.472   1.856  -3.590
   56   HG21  VAL   9          HG21      VAL   9  -2.704   0.491  -0.243
   57   HG22  VAL   9          HG22      VAL   9  -1.219   0.438  -1.183
   58   HG23  VAL   9          HG23      VAL   9  -2.081  -1.063  -0.840
   59    HA   PRO  10           HA       PRO  10  -5.684  -4.337  -2.386
   60    HB2  PRO  10           HB2      PRO  10  -5.692  -5.245  -4.953
   61    HB3  PRO  10           HB1      PRO  10  -7.022  -4.331  -4.236
   62    HG2  PRO  10           HG2      PRO  10  -4.911  -3.439  -6.123
   63    HG3  PRO  10           HG1      PRO  10  -6.590  -2.899  -5.975
   64    HD2  PRO  10           HD2      PRO  10  -4.357  -1.556  -5.012
   65    HD3  PRO  10           HD1      PRO  10  -6.009  -1.252  -4.475
   66    H    SER  11           HN       SER  11  -4.821  -6.508  -2.814
   67    HA   SER  11           HA       SER  11  -2.118  -6.658  -2.341
   68    HB2  SER  11           HB2      SER  11  -2.608  -9.138  -2.927
   69    HB3  SER  11           HB1      SER  11  -3.369  -8.398  -1.523
   70    HG   SER  11           HG       SER  11  -4.581  -9.627  -3.338
   71    H    GLY  12           HN       GLY  12  -0.393  -6.701  -3.570
   72    HA2  GLY  12           HA2      GLY  12   0.808  -7.409  -5.517
   73    HA3  GLY  12           HA1      GLY  12  -0.681  -7.259  -6.444
   74    H    THR  13           HN       THR  13  -0.705  -4.710  -4.471
   75    HA   THR  13           HA       THR  13   0.200  -2.918  -6.547
   76    HB   THR  13           HB       THR  13  -1.101  -2.384  -3.893
   77    HG1  THR  13           HG1      THR  13  -2.604  -3.339  -4.988
   78   HG21  THR  13          HG21      THR  13  -0.065  -0.348  -4.621
   79   HG22  THR  13          HG22      THR  13  -1.797  -0.191  -4.953
   80   HG23  THR  13          HG23      THR  13  -0.671  -0.565  -6.260
   81    H    CYS  14           HN       CYS  14   1.505  -1.173  -6.063
   82    HA   CYS  14           HA       CYS  14   3.372  -1.166  -3.868
   83    HB2  CYS  14           HB2      CYS  14   4.250  -1.422  -6.770
   84    HB3  CYS  14           HB1      CYS  14   5.311  -1.008  -5.438
   85    H    ALA  15           HN       ALA  15   3.712   0.959  -3.415
   86    HA   ALA  15           HA       ALA  15   3.498   2.923  -5.529
   87    HB1  ALA  15           HB1      ALA  15   1.746   4.239  -4.441
   88    HB2  ALA  15           HB2      ALA  15   1.574   2.995  -3.202
   89    HB3  ALA  15           HB3      ALA  15   1.149   2.636  -4.875
   90    H    ASP  16           HN       ASP  16   4.075   5.065  -4.780
   91    HA   ASP  16           HA       ASP  16   6.098   4.885  -2.698
   92    HB2  ASP  16           HB2      ASP  16   6.806   5.817  -4.837
   93    HB3  ASP  16           HB1      ASP  16   5.534   7.028  -4.756
   94    H    PHE  17           HN       PHE  17   5.293   5.162  -0.797
   95    HA   PHE  17           HA       PHE  17   3.343   7.280  -0.325
   96    HB2  PHE  17           HB2      PHE  17   4.243   4.966   1.412
   97    HB3  PHE  17           HB1      PHE  17   3.070   6.117   1.921
   98    HD1  PHE  17           HD1      PHE  17   3.614   3.200  -0.200
   99    HD2  PHE  17           HD2      PHE  17   0.835   6.235   0.898
  100    HE1  PHE  17           HE1      PHE  17   1.857   1.961  -1.228
  101    HE2  PHE  17           HE2      PHE  17  -0.958   4.948  -0.144
  102    HZ   PHE  17           HZ       PHE  17  -0.462   2.803  -1.218
  103    HA   PRO  18           HA       PRO  18   6.391   9.756   1.752
  104    HB2  PRO  18           HB2      PRO  18   4.638   9.919   4.140
  105    HB3  PRO  18           HB1      PRO  18   5.252  11.220   3.115
  106    HG2  PRO  18           HG2      PRO  18   2.693  10.507   2.984
  107    HG3  PRO  18           HG1      PRO  18   3.594  10.923   1.516
  108    HD2  PRO  18           HD2      PRO  18   2.908   8.201   2.594
  109    HD3  PRO  18           HD1      PRO  18   2.805   8.816   0.931
  110    H    TRP  19           HN       TRP  19   7.905   9.736   3.448
  111    HA   TRP  19           HA       TRP  19   8.766   7.275   4.480
  112    HB2  TRP  19           HB2      TRP  19  10.118   9.396   4.121
  113    HB3  TRP  19           HB1      TRP  19   9.358  10.041   5.564
  114    HD1  TRP  19           HD1      TRP  19  11.957   7.490   4.437
  115    HE1  TRP  19           HE1      TRP  19  13.356   6.786   6.461
  116    HE3  TRP  19          3HE       TRP  19   9.263   9.783   8.024
  117    HZ2  TRP  19           HZ2      TRP  19  13.324   7.183   9.279
  118    HZ3  TRP  19           HZ3      TRP  19   9.989   9.606  10.405
  119    HH2  TRP  19          2HH       TRP  19  11.982   8.320  11.001
  120    HA   PRO  20           HA       PRO  20   9.663   6.288   6.097
  121    HB2  PRO  20           HB2      PRO  20   9.422   4.348   7.891
  122    HB3  PRO  20           HB1      PRO  20   9.913   5.979   8.361
  123    HG2  PRO  20           HG2      PRO  20   7.315   4.603   8.760
  124    HG3  PRO  20           HG1      PRO  20   8.090   5.849   9.749
  125    HD2  PRO  20           HD2      PRO  20   6.047   6.209   7.782
  126    HD3  PRO  20           HD1      PRO  20   6.905   7.469   8.686
  127    H    LEU  21           HN       LEU  21   6.758   5.856   4.887
  128    HA   LEU  21           HA       LEU  21   6.725   3.003   4.613
  129    HB2  LEU  21           HB2      LEU  21   5.167   5.228   3.320
  130    HB3  LEU  21           HB1      LEU  21   4.939   3.542   2.903
  131    HG   LEU  21           HG       LEU  21   4.501   4.648   5.684
  132   HD11  LEU  21          HD11      LEU  21   2.519   4.014   3.499
  133   HD12  LEU  21          HD12      LEU  21   2.908   5.640   4.078
  134   HD13  LEU  21          HD13      LEU  21   2.114   4.480   5.148
  135   HD21  LEU  21          HD21      LEU  21   3.307   2.558   5.991
  136   HD22  LEU  21          HD22      LEU  21   4.993   2.255   5.532
  137   HD23  LEU  21          HD23      LEU  21   3.695   2.119   4.331
  138    H    GLY  22           HN       GLY  22   7.213   5.748   2.434
  139    HA2  GLY  22           HA2      GLY  22   8.495   5.919   0.521
  140    HA3  GLY  22           HA1      GLY  22   9.351   4.464   1.038
  141    H    HIS  23           HN       HIS  23   9.314   3.613  -1.084
  142    HA   HIS  23           HA       HIS  23   6.742   3.075  -2.249
  143    HB2  HIS  23           HB2      HIS  23   8.721   3.563  -3.716
  144    HB3  HIS  23           HB1      HIS  23   9.480   2.096  -3.121
  145    HD1  HIS  23           HD1      HIS  23   6.914   3.321  -5.561
  146    HD2  HIS  23           HD2      HIS  23   8.390  -0.242  -4.058
  147    HE1  HIS  23           HE1      HIS  23   6.050   1.532  -7.077
  148    H    GLN  24           HN       GLN  24   5.604   1.763  -1.197
  149    HA   GLN  24           HA       GLN  24   6.723  -0.670   0.017
  150    HB2  GLN  24           HB2      GLN  24   4.187   0.873   0.482
  151    HB3  GLN  24           HB1      GLN  24   4.486  -0.709   1.177
  152    HG2  GLN  24           HG2      GLN  24   6.342   1.601   1.627
  153    HG3  GLN  24           HG1      GLN  24   4.927   1.300   2.638
  154   HE21  GLN  24          1HE2      GLN  24   4.926  -0.413   3.981
  155   HE22  GLN  24          2HE2      GLN  24   6.352  -1.305   4.346
  156    H    CYS  25           HN       CYS  25   5.874  -2.647  -0.458
  157    HA   CYS  25           HA       CYS  25   3.865  -2.750  -2.564
  158    HB2  CYS  25           HB2      CYS  25   6.203  -4.581  -2.031
  159    HB3  CYS  25           HB1      CYS  25   4.865  -5.021  -3.090
  160    H    PHE  26           HN       PHE  26   2.187  -4.182  -2.280
  161    HA   PHE  26           HA       PHE  26   1.928  -5.119   0.507
  162    HB2  PHE  26           HB2      PHE  26  -0.284  -4.027  -1.212
  163    HB3  PHE  26           HB1      PHE  26  -0.338  -4.369   0.513
  164    HD1  PHE  26           HD1      PHE  26   1.134  -3.009   2.039
  165    HD2  PHE  26           HD2      PHE  26   0.386  -1.960  -2.015
  166    HE1  PHE  26           HE1      PHE  26   1.880  -0.709   2.483
  167    HE2  PHE  26           HE2      PHE  26   1.112   0.274  -1.593
  168    HZ   PHE  26           HZ       PHE  26   1.869   0.942   0.659
  169    HA   PRO  27           HA       PRO  27   1.324  -8.890  -2.025
  170    HB2  PRO  27           HB2      PRO  27   1.594 -10.125   0.642
  171    HB3  PRO  27           HB1      PRO  27   2.483 -10.465  -0.845
  172    HG2  PRO  27           HG2      PRO  27   3.653  -9.191   1.185
  173    HG3  PRO  27           HG1      PRO  27   3.988  -8.740  -0.496
  174    HD2  PRO  27           HD2      PRO  27   2.204  -7.409   1.503
  175    HD3  PRO  27           HD1      PRO  27   3.338  -6.684   0.338
  176    H    ASP  28           HN       ASP  28  -0.208  -7.850   0.915
  177    HA   ASP  28           HA       ASP  28  -2.556  -9.489   0.289
  178    HB2  ASP  28           HB2      ASP  28  -1.538 -10.193   2.377
  179    HB3  ASP  28           HB1      ASP  28  -1.493  -8.539   2.962
  Start of MODEL   14
    1    H1   GLY   1           HN       GLY   1  -1.513  -6.516  -0.100
    2    HA2  GLY   1           HA2      GLY   1  -2.675  -4.604  -0.738
    3    HA3  GLY   1           HA1      GLY   1  -4.070  -5.203   0.146
    4    H    PHE   2           HN       PHE   2  -3.509  -2.534   0.283
    5    HA   PHE   2           HA       PHE   2  -2.956  -2.291   3.127
    6    HB2  PHE   2           HB2      PHE   2  -0.760  -2.039   2.179
    7    HB3  PHE   2           HB1      PHE   2  -1.351  -0.872   1.017
    8    HD1  PHE   2           HD1      PHE   2  -0.677   1.242   1.402
    9    HD2  PHE   2           HD2      PHE   2  -1.437  -1.280   4.734
   10    HE1  PHE   2           HE1      PHE   2  -0.042   3.052   2.885
   11    HE2  PHE   2           HE2      PHE   2  -0.806   0.537   6.257
   12    HZ   PHE   2           HZ       PHE   2  -0.093   2.716   5.345
   13    H    CYS   3           HN       CYS   3  -4.337  -0.887   4.010
   14    HA   CYS   3           HA       CYS   3  -5.783   0.832   2.201
   15    HB2  CYS   3           HB2      CYS   3  -6.616  -0.249   4.897
   16    HB3  CYS   3           HB1      CYS   3  -7.585   0.809   3.879
   17    H    TRP   4           HN       TRP   4  -5.459   2.817   2.323
   18    HA   TRP   4           HA       TRP   4  -4.285   4.074   4.658
   19    HB2  TRP   4           HB2      TRP   4  -2.326   3.446   3.588
   20    HB3  TRP   4           HB1      TRP   4  -3.018   3.638   1.989
   21    HD1  TRP   4           HD1      TRP   4  -1.565   5.738   4.862
   22    HE1  TRP   4           HE1      TRP   4  -0.777   7.956   3.851
   23    HE3  TRP   4          3HE       TRP   4  -3.269   5.072   0.131
   24    HZ2  TRP   4           HZ2      TRP   4  -0.901   9.222   1.446
   25    HZ3  TRP   4           HZ3      TRP   4  -2.899   6.783  -1.517
   26    HH2  TRP   4          2HH       TRP   4  -1.715   8.891  -0.916
   27    H    HIS   5           HN       HIS   5  -4.371   6.440   4.519
   28    HA   HIS   5           HA       HIS   5  -5.937   8.062   4.635
   29    HB2  HIS   5           HB2      HIS   5  -4.528   8.045   2.085
   30    HB3  HIS   5           HB1      HIS   5  -5.896   9.177   2.169
   31    HD1  HIS   5           HD1      HIS   5  -4.588  11.365   2.397
   32    HD2  HIS   5           HD2      HIS   5  -3.352   8.448   5.086
   33    HE1  HIS   5           HE1      HIS   5  -2.980  12.491   3.956
   34    H    HIS   6           HN       HIS   6  -7.513   6.032   4.722
   35    HA   HIS   6           HA       HIS   6  -9.611   5.311   4.496
   36    HB2  HIS   6           HB2      HIS   6  -9.992   8.158   3.638
   37    HB3  HIS   6           HB1      HIS   6 -11.349   7.043   3.655
   38    HD1  HIS   6           HD1      HIS   6 -12.594   6.986   5.838
   39    HD2  HIS   6           HD2      HIS   6  -8.664   8.247   6.293
   40    HE1  HIS   6           HE1      HIS   6 -12.332   7.605   8.263
   41    H    SER   7           HN       SER   7  -7.752   5.241   2.147
   42    HA   SER   7           HA       SER   7  -9.721   4.237   0.256
   43    HB2  SER   7           HB2      SER   7  -8.526   6.332  -0.547
   44    HB3  SER   7           HB1      SER   7  -7.001   5.471  -0.358
   45    HG   SER   7           HG       SER   7  -9.144   4.632  -2.001
   46    H    CYS   8           HN       CYS   8  -7.930   2.725  -1.247
   47    HA   CYS   8           HA       CYS   8  -6.103   1.404   0.481
   48    HB2  CYS   8           HB2      CYS   8  -8.420   0.560   1.212
   49    HB3  CYS   8           HB1      CYS   8  -8.507  -0.194  -0.379
   50    H    VAL   9           HN       VAL   9  -4.866  -0.040  -0.545
   51    HA   VAL   9           HA       VAL   9  -5.207  -0.122  -3.430
   52    HB   VAL   9           HB       VAL   9  -2.709  -0.476  -3.585
   53   HG11  VAL   9          HG11      VAL   9  -3.675   1.719  -4.087
   54   HG12  VAL   9          HG12      VAL   9  -2.111   1.880  -3.258
   55   HG13  VAL   9          3HG1      VAL   9  -3.609   2.122  -2.360
   56   HG21  VAL   9          HG21      VAL   9  -1.267   0.246  -1.838
   57   HG22  VAL   9          HG22      VAL   9  -2.279  -1.062  -1.206
   58   HG23  VAL   9          HG23      VAL   9  -2.620   0.642  -0.801
   59    HA   PRO  10           HA       PRO  10  -5.835  -4.399  -2.882
   60    HB2  PRO  10           HB2      PRO  10  -5.409  -5.264  -5.413
   61    HB3  PRO  10           HB1      PRO  10  -6.845  -4.345  -4.946
   62    HG2  PRO  10           HG2      PRO  10  -4.333  -3.400  -6.265
   63    HG3  PRO  10           HG1      PRO  10  -6.012  -2.998  -6.656
   64    HD2  PRO  10           HD2      PRO  10  -4.425  -1.349  -5.223
   65    HD3  PRO  10           HD1      PRO  10  -6.172  -1.463  -4.938
   66    H    SER  11           HN       SER  11  -4.821  -6.544  -3.223
   67    HA   SER  11           HA       SER  11  -2.129  -6.475  -2.373
   68    HB2  SER  11           HB2      SER  11  -3.666  -8.915  -3.243
   69    HB3  SER  11           HB1      SER  11  -2.456  -8.731  -1.957
   70    HG   SER  11           HG       SER  11  -4.340  -8.738  -0.884
   71    H    GLY  12           HN       GLY  12  -0.349  -6.636  -3.619
   72    HA2  GLY  12           HA2      GLY  12   0.800  -7.566  -5.556
   73    HA3  GLY  12           HA1      GLY  12  -0.694  -7.351  -6.458
   74    H    THR  13           HN       THR  13  -0.725  -4.749  -4.668
   75    HA   THR  13           HA       THR  13   0.258  -3.059  -6.758
   76    HB   THR  13           HB       THR  13  -0.858  -2.408  -4.053
   77    HG1  THR  13           HG1      THR  13  -2.505  -3.264  -5.042
   78   HG21  THR  13          HG21      THR  13   0.279  -0.459  -4.929
   79   HG22  THR  13          HG22      THR  13  -1.459  -0.186  -5.037
   80   HG23  THR  13          HG23      THR  13  -0.540  -0.627  -6.479
   81    H    CYS  14           HN       CYS  14   1.708  -1.433  -6.410
   82    HA   CYS  14           HA       CYS  14   3.545  -1.406  -4.169
   83    HB2  CYS  14           HB2      CYS  14   4.512  -1.583  -7.051
   84    HB3  CYS  14           HB1      CYS  14   5.519  -1.295  -5.653
   85    H    ALA  15           HN       ALA  15   3.835   0.692  -3.678
   86    HA   ALA  15           HA       ALA  15   3.736   2.731  -5.714
   87    HB1  ALA  15           HB1      ALA  15   1.847   3.954  -4.719
   88    HB2  ALA  15           HB2      ALA  15   1.590   2.624  -3.588
   89    HB3  ALA  15           HB3      ALA  15   1.337   2.371  -5.315
   90    H    ASP  16           HN       ASP  16   4.332   4.879  -4.787
   91    HA   ASP  16           HA       ASP  16   5.807   4.534  -2.373
   92    HB2  ASP  16           HB2      ASP  16   6.945   6.475  -2.993
   93    HB3  ASP  16           HB1      ASP  16   6.913   5.445  -4.411
   94    H    PHE  17           HN       PHE  17   5.205   5.231  -0.619
   95    HA   PHE  17           HA       PHE  17   2.985   7.132  -0.385
   96    HB2  PHE  17           HB2      PHE  17   3.918   4.895   1.444
   97    HB3  PHE  17           HB1      PHE  17   2.627   5.977   1.856
   98    HD1  PHE  17           HD1      PHE  17   3.624   3.256  -0.396
   99    HD2  PHE  17           HD2      PHE  17   0.419   5.719   0.913
  100    HE1  PHE  17           HE1      PHE  17   2.066   1.839  -1.555
  101    HE2  PHE  17           HE2      PHE  17  -1.160   4.274  -0.255
  102    HZ   PHE  17           HZ       PHE  17  -0.351   2.328  -1.504
  103    HA   PRO  18           HA       PRO  18   5.834   9.751   1.797
  104    HB2  PRO  18           HB2      PRO  18   4.092   9.961   4.155
  105    HB3  PRO  18           HB1      PRO  18   4.590  11.221   3.025
  106    HG2  PRO  18           HG2      PRO  18   2.077  10.294   3.056
  107    HG3  PRO  18           HG1      PRO  18   2.875  10.757   1.544
  108    HD2  PRO  18           HD2      PRO  18   2.442   8.020   2.686
  109    HD3  PRO  18           HD1      PRO  18   2.261   8.589   1.013
  110    H    TRP  19           HN       TRP  19   7.222   9.925   3.629
  111    HA   TRP  19           HA       TRP  19   8.228   7.548   4.689
  112    HB2  TRP  19           HB2      TRP  19   9.507   9.689   4.513
  113    HB3  TRP  19           HB1      TRP  19   8.474  10.383   5.751
  114    HD1  TRP  19           HD1      TRP  19  11.498   8.128   5.289
  115    HE1  TRP  19           HE1      TRP  19  12.525   7.620   7.599
  116    HE3  TRP  19          3HE       TRP  19   7.859  10.108   8.190
  117    HZ2  TRP  19           HZ2      TRP  19  11.851   8.040  10.323
  118    HZ3  TRP  19           HZ3      TRP  19   8.096  10.037  10.662
  119    HH2  TRP  19          2HH       TRP  19  10.055   9.016  11.692
  120    HA   PRO  20           HA       PRO  20   9.050   6.581   6.280
  121    HB2  PRO  20           HB2      PRO  20   8.859   4.590   8.043
  122    HB3  PRO  20           HB1      PRO  20   9.267   6.238   8.527
  123    HG2  PRO  20           HG2      PRO  20   6.771   4.729   8.972
  124    HG3  PRO  20           HG1      PRO  20   7.400   6.139   9.838
  125    HD2  PRO  20           HD2      PRO  20   5.421   6.040   7.726
  126    HD3  PRO  20           HD1      PRO  20   5.962   7.441   8.669
  127    H    LEU  21           HN       LEU  21   6.151   5.862   5.071
  128    HA   LEU  21           HA       LEU  21   6.291   3.039   4.778
  129    HB2  LEU  21           HB2      LEU  21   4.726   5.191   3.389
  130    HB3  LEU  21           HB1      LEU  21   4.560   3.490   3.001
  131    HG   LEU  21           HG       LEU  21   4.034   4.576   5.771
  132   HD11  LEU  21          HD11      LEU  21   2.526   5.653   4.155
  133   HD12  LEU  21          HD12      LEU  21   1.670   4.482   5.167
  134   HD13  LEU  21          HD13      LEU  21   2.114   4.062   3.509
  135   HD21  LEU  21          HD21      LEU  21   2.790   2.500   5.982
  136   HD22  LEU  21          HD22      LEU  21   4.480   2.177   5.564
  137   HD23  LEU  21          HD23      LEU  21   3.220   2.086   4.325
  138    H    GLY  22           HN       GLY  22   6.770   5.755   2.529
  139    HA2  GLY  22           HA2      GLY  22   8.161   5.940   0.707
  140    HA3  GLY  22           HA1      GLY  22   9.035   4.527   1.305
  141    H    HIS  23           HN       HIS  23   9.162   3.623  -0.805
  142    HA   HIS  23           HA       HIS  23   6.645   2.928  -2.098
  143    HB2  HIS  23           HB2      HIS  23   8.757   3.548  -3.423
  144    HB3  HIS  23           HB1      HIS  23   9.408   2.002  -2.895
  145    HD1  HIS  23           HD1      HIS  23   7.316   3.548  -5.499
  146    HD2  HIS  23           HD2      HIS  23   7.951  -0.198  -3.883
  147    HE1  HIS  23           HE1      HIS  23   6.306   1.926  -7.134
  148    H    GLN  24           HN       GLN  24   5.549   1.294  -1.622
  149    HA   GLN  24           HA       GLN  24   6.830  -1.009  -0.279
  150    HB2  GLN  24           HB2      GLN  24   4.111   0.186   0.181
  151    HB3  GLN  24           HB1      GLN  24   4.706  -1.284   0.911
  152    HG2  GLN  24           HG2      GLN  24   5.928   1.421   1.342
  153    HG3  GLN  24           HG1      GLN  24   4.675   0.732   2.367
  154   HE21  GLN  24          1HE2      GLN  24   5.839   0.616   4.143
  155   HE22  GLN  24          2HE2      GLN  24   7.221  -0.399   4.368
  156    H    CYS  25           HN       CYS  25   6.002  -3.008  -0.879
  157    HA   CYS  25           HA       CYS  25   3.924  -3.035  -2.931
  158    HB2  CYS  25           HB2      CYS  25   6.143  -5.018  -2.376
  159    HB3  CYS  25           HB1      CYS  25   4.803  -5.326  -3.479
  160    H    PHE  26           HN       PHE  26   2.213  -4.535  -2.625
  161    HA   PHE  26           HA       PHE  26   1.962  -5.203   0.234
  162    HB2  PHE  26           HB2      PHE  26  -0.194  -4.152  -1.564
  163    HB3  PHE  26           HB1      PHE  26  -0.337  -4.476   0.159
  164    HD1  PHE  26           HD1      PHE  26   1.502  -3.273   1.621
  165    HD2  PHE  26           HD2      PHE  26   0.196  -2.008  -2.232
  166    HE1  PHE  26           HE1      PHE  26   2.291  -1.001   2.084
  167    HE2  PHE  26           HE2      PHE  26   0.976   0.211  -1.777
  168    HZ   PHE  26           HZ       PHE  26   2.024   0.748   0.369
  169    HA   PRO  27           HA       PRO  27   1.090  -9.175  -1.865
  170    HB2  PRO  27           HB2      PRO  27   1.627 -10.207   0.846
  171    HB3  PRO  27           HB1      PRO  27   2.380 -10.653  -0.688
  172    HG2  PRO  27           HG2      PRO  27   3.711  -9.240   1.156
  173    HG3  PRO  27           HG1      PRO  27   3.931  -8.942  -0.578
  174    HD2  PRO  27           HD2      PRO  27   2.310  -7.415   1.421
  175    HD3  PRO  27           HD1      PRO  27   3.365  -6.810   0.124
  176    H    ASP  28           HN       ASP  28  -0.139  -7.687   0.980
  177    HA   ASP  28           HA       ASP  28  -2.599  -9.278   0.765
  178    HB2  ASP  28           HB2      ASP  28  -2.915  -9.228   3.166
  179    HB3  ASP  28           HB1      ASP  28  -1.320  -9.879   2.825
  Start of MODEL   15
    1    H1   GLY   1           HN       GLY   1  -1.471  -6.371  -0.124
    2    HA2  GLY   1           HA2      GLY   1  -2.540  -4.416  -0.773
    3    HA3  GLY   1           HA1      GLY   1  -3.989  -4.970   0.052
    4    H    PHE   2           HN       PHE   2  -3.535  -2.421   0.342
    5    HA   PHE   2           HA       PHE   2  -2.984  -2.181   3.177
    6    HB2  PHE   2           HB2      PHE   2  -0.754  -1.875   2.271
    7    HB3  PHE   2           HB1      PHE   2  -1.347  -0.694   1.120
    8    HD1  PHE   2           HD1      PHE   2  -0.964   1.509   1.593
    9    HD2  PHE   2           HD2      PHE   2  -1.295  -1.254   4.814
   10    HE1  PHE   2           HE1      PHE   2  -0.441   3.290   3.147
   11    HE2  PHE   2           HE2      PHE   2  -0.776   0.535   6.403
   12    HZ   PHE   2           HZ       PHE   2  -0.336   2.826   5.582
   13    H    CYS   3           HN       CYS   3  -4.373  -0.698   4.052
   14    HA   CYS   3           HA       CYS   3  -5.798   0.908   2.139
   15    HB2  CYS   3           HB2      CYS   3  -6.700  -0.063   4.864
   16    HB3  CYS   3           HB1      CYS   3  -7.641   0.937   3.767
   17    H    TRP   4           HN       TRP   4  -5.847   2.945   2.379
   18    HA   TRP   4           HA       TRP   4  -4.632   4.346   4.589
   19    HB2  TRP   4           HB2      TRP   4  -2.607   3.791   3.597
   20    HB3  TRP   4           HB1      TRP   4  -3.277   3.810   1.976
   21    HD1  TRP   4           HD1      TRP   4  -1.994   6.174   4.681
   22    HE1  TRP   4           HE1      TRP   4  -1.381   8.399   3.534
   23    HE3  TRP   4          3HE       TRP   4  -3.661   5.102   0.034
   24    HZ2  TRP   4           HZ2      TRP   4  -1.627   9.499   1.068
   25    HZ3  TRP   4           HZ3      TRP   4  -3.448   6.722  -1.715
   26    HH2  TRP   4          2HH       TRP   4  -2.433   8.960  -1.265
   27    H    HIS   5           HN       HIS   5  -4.901   6.707   4.366
   28    HA   HIS   5           HA       HIS   5  -6.512   8.297   4.302
   29    HB2  HIS   5           HB2      HIS   5  -5.143   8.030   1.749
   30    HB3  HIS   5           HB1      HIS   5  -6.552   9.120   1.713
   31    HD1  HIS   5           HD1      HIS   5  -5.406  11.389   1.735
   32    HD2  HIS   5           HD2      HIS   5  -3.835   8.785   4.553
   33    HE1  HIS   5           HE1      HIS   5  -3.733  12.716   3.061
   34    H    HIS   6           HN       HIS   6  -7.861   5.879   4.320
   35    HA   HIS   6           HA       HIS   6  -9.903   5.001   4.168
   36    HB2  HIS   6           HB2      HIS   6 -10.682   7.790   3.306
   37    HB3  HIS   6           HB1      HIS   6 -11.857   6.499   3.534
   38    HD1  HIS   6           HD1      HIS   6 -12.322   5.749   6.010
   39    HD2  HIS   6           HD2      HIS   6  -9.608   8.869   5.618
   40    HE1  HIS   6           HE1      HIS   6 -12.046   6.726   8.308
   41    H    SER   7           HN       SER   7  -8.066   5.058   1.944
   42    HA   SER   7           HA       SER   7  -9.885   3.974  -0.045
   43    HB2  SER   7           HB2      SER   7  -8.833   6.148  -0.799
   44    HB3  SER   7           HB1      SER   7  -7.251   5.424  -0.528
   45    HG   SER   7           HG       SER   7  -9.224   4.390  -2.264
   46    H    CYS   8           HN       CYS   8  -8.124   2.443  -1.436
   47    HA   CYS   8           HA       CYS   8  -6.187   1.354   0.370
   48    HB2  CYS   8           HB2      CYS   8  -8.464   0.433   1.069
   49    HB3  CYS   8           HB1      CYS   8  -8.465  -0.415  -0.481
   50    H    VAL   9           HN       VAL   9  -4.812   0.016  -0.564
   51    HA   VAL   9           HA       VAL   9  -5.035  -0.172  -3.452
   52    HB   VAL   9           HB       VAL   9  -2.528  -0.457  -3.497
   53   HG11  VAL   9          HG11      VAL   9  -3.552   2.115  -2.326
   54   HG12  VAL   9          HG12      VAL   9  -3.460   1.711  -4.060
   55   HG13  VAL   9          3HG1      VAL   9  -1.981   1.896  -3.088
   56   HG21  VAL   9          HG21      VAL   9  -2.178  -1.046  -1.123
   57   HG22  VAL   9          HG22      VAL   9  -2.601   0.647  -0.710
   58   HG23  VAL   9          HG23      VAL   9  -1.187   0.303  -1.686
   59    HA   PRO  10           HA       PRO  10  -5.641  -4.420  -2.748
   60    HB2  PRO  10           HB2      PRO  10  -5.249  -5.305  -5.295
   61    HB3  PRO  10           HB1      PRO  10  -6.730  -4.521  -4.738
   62    HG2  PRO  10           HG2      PRO  10  -4.465  -3.423  -6.317
   63    HG3  PRO  10           HG1      PRO  10  -6.192  -3.047  -6.420
   64    HD2  PRO  10           HD2      PRO  10  -4.326  -1.456  -5.185
   65    HD3  PRO  10           HD1      PRO  10  -6.048  -1.445  -4.783
   66    H    SER  11           HN       SER  11  -4.699  -6.569  -3.078
   67    HA   SER  11           HA       SER  11  -2.025  -6.631  -2.242
   68    HB2  SER  11           HB2      SER  11  -3.619  -8.977  -3.279
   69    HB3  SER  11           HB1      SER  11  -2.389  -8.904  -1.998
   70    HG   SER  11           HG       SER  11  -4.907  -8.832  -1.587
   71    H    GLY  12           HN       GLY  12  -0.256  -6.627  -3.468
   72    HA2  GLY  12           HA2      GLY  12   0.990  -7.547  -5.333
   73    HA3  GLY  12           HA1      GLY  12  -0.477  -7.415  -6.297
   74    H    THR  13           HN       THR  13  -0.742  -4.767  -4.622
   75    HA   THR  13           HA       THR  13   0.367  -3.151  -6.693
   76    HB   THR  13           HB       THR  13  -1.148  -2.504  -4.210
   77    HG1  THR  13           HG1      THR  13  -1.953  -3.587  -6.368
   78   HG21  THR  13          HG21      THR  13  -0.416  -0.622  -6.475
   79   HG22  THR  13          HG22      THR  13   0.032  -0.489  -4.762
   80   HG23  THR  13          HG23      THR  13  -1.637  -0.264  -5.252
   81    H    CYS  14           HN       CYS  14   1.672  -1.470  -6.306
   82    HA   CYS  14           HA       CYS  14   3.400  -1.367  -3.964
   83    HB2  CYS  14           HB2      CYS  14   4.416  -1.439  -6.832
   84    HB3  CYS  14           HB1      CYS  14   5.404  -1.170  -5.408
   85    H    ALA  15           HN       ALA  15   3.610   0.749  -3.387
   86    HA   ALA  15           HA       ALA  15   3.285   2.812  -5.384
   87    HB1  ALA  15           HB1      ALA  15   1.296   2.595  -3.125
   88    HB2  ALA  15           HB2      ALA  15   0.963   2.238  -4.818
   89    HB3  ALA  15           HB3      ALA  15   1.374   3.880  -4.330
   90    H    ASP  16           HN       ASP  16   3.741   4.880  -4.628
   91    HA   ASP  16           HA       ASP  16   5.720   4.938  -2.495
   92    HB2  ASP  16           HB2      ASP  16   6.283   5.970  -4.623
   93    HB3  ASP  16           HB1      ASP  16   4.878   7.026  -4.510
   94    H    PHE  17           HN       PHE  17   5.136   5.351  -0.562
   95    HA   PHE  17           HA       PHE  17   2.970   7.256  -0.001
   96    HB2  PHE  17           HB2      PHE  17   3.955   4.857   1.549
   97    HB3  PHE  17           HB1      PHE  17   2.779   5.931   2.201
   98    HD1  PHE  17           HD1      PHE  17   3.266   3.068   0.144
   99    HD2  PHE  17           HD2      PHE  17   0.601   6.295   0.895
  100    HE1  PHE  17           HE1      PHE  17   1.500   1.897  -1.021
  101    HE2  PHE  17           HE2      PHE  17  -1.180   5.091  -0.261
  102    HZ   PHE  17           HZ       PHE  17  -0.740   2.884  -1.227
  103    HA   PRO  18           HA       PRO  18   5.897   9.737   2.251
  104    HB2  PRO  18           HB2      PRO  18   4.325   9.426   4.756
  105    HB3  PRO  18           HB1      PRO  18   4.801  10.904   3.915
  106    HG2  PRO  18           HG2      PRO  18   2.289  10.068   3.820
  107    HG3  PRO  18           HG1      PRO  18   3.070  10.744   2.379
  108    HD2  PRO  18           HD2      PRO  18   2.561   7.875   3.077
  109    HD3  PRO  18           HD1      PRO  18   2.363   8.687   1.514
  110    H    TRP  19           HN       TRP  19   7.549   9.639   3.837
  111    HA   TRP  19           HA       TRP  19   8.521   7.027   4.412
  112    HB2  TRP  19           HB2      TRP  19   9.790   9.324   4.136
  113    HB3  TRP  19           HB1      TRP  19   9.428   9.527   5.844
  114    HD1  TRP  19           HD1      TRP  19  11.540   7.414   3.456
  115    HE1  TRP  19           HE1      TRP  19  13.380   6.227   4.812
  116    HE3  TRP  19          3HE       TRP  19  10.010   8.657   8.132
  117    HZ2  TRP  19           HZ2      TRP  19  14.086   5.866   7.507
  118    HZ3  TRP  19           HZ3      TRP  19  11.317   7.852  10.068
  119    HH2  TRP  19          2HH       TRP  19  13.313   6.483   9.753
  120    HA   PRO  20           HA       PRO  20   9.708   5.956   6.041
  121    HB2  PRO  20           HB2      PRO  20   9.527   3.840   7.597
  122    HB3  PRO  20           HB1      PRO  20   9.983   5.418   8.255
  123    HG2  PRO  20           HG2      PRO  20   7.367   3.988   8.407
  124    HG3  PRO  20           HG1      PRO  20   8.180   4.969   9.636
  125    HD2  PRO  20           HD2      PRO  20   6.138   5.827   7.923
  126    HD3  PRO  20           HD1      PRO  20   7.204   6.874   8.876
  127    H    LEU  21           HN       LEU  21   6.633   5.527   4.975
  128    HA   LEU  21           HA       LEU  21   6.737   2.746   4.407
  129    HB2  LEU  21           HB2      LEU  21   5.034   5.002   3.381
  130    HB3  LEU  21           HB1      LEU  21   4.833   3.334   2.876
  131    HG   LEU  21           HG       LEU  21   4.557   4.237   5.749
  132   HD11  LEU  21          HD11      LEU  21   2.448   3.758   3.651
  133   HD12  LEU  21          HD12      LEU  21   2.857   5.327   4.359
  134   HD13  LEU  21          HD13      LEU  21   2.142   4.060   5.360
  135   HD21  LEU  21          HD21      LEU  21   3.416   2.108   5.988
  136   HD22  LEU  21          HD22      LEU  21   5.066   1.862   5.382
  137   HD23  LEU  21          HD23      LEU  21   3.682   1.793   4.274
  138    H    GLY  22           HN       GLY  22   7.020   5.700   2.442
  139    HA2  GLY  22           HA2      GLY  22   8.169   6.052   0.480
  140    HA3  GLY  22           HA1      GLY  22   9.143   4.632   0.874
  141    H    HIS  23           HN       HIS  23   9.038   3.852  -1.266
  142    HA   HIS  23           HA       HIS  23   6.424   3.166  -2.296
  143    HB2  HIS  23           HB2      HIS  23   8.300   3.895  -3.827
  144    HB3  HIS  23           HB1      HIS  23   9.155   2.425  -3.395
  145    HD1  HIS  23           HD1      HIS  23   6.540   3.761  -5.672
  146    HD2  HIS  23           HD2      HIS  23   7.984   0.107  -4.369
  147    HE1  HIS  23           HE1      HIS  23   5.632   2.059  -7.274
  148    H    GLN  24           HN       GLN  24   5.422   1.621  -1.396
  149    HA   GLN  24           HA       GLN  24   6.891  -0.721  -0.377
  150    HB2  GLN  24           HB2      GLN  24   4.237   0.428   0.420
  151    HB3  GLN  24           HB1      GLN  24   4.861  -1.094   1.011
  152    HG2  GLN  24           HG2      GLN  24   6.175   1.572   1.412
  153    HG3  GLN  24           HG1      GLN  24   5.088   0.806   2.564
  154   HE21  GLN  24          1HE2      GLN  24   6.566   0.678   4.125
  155   HE22  GLN  24          2HE2      GLN  24   7.932  -0.377   4.102
  156    H    CYS  25           HN       CYS  25   6.094  -2.743  -0.827
  157    HA   CYS  25           HA       CYS  25   3.935  -2.951  -2.785
  158    HB2  CYS  25           HB2      CYS  25   6.277  -4.779  -2.210
  159    HB3  CYS  25           HB1      CYS  25   4.920  -5.228  -3.237
  160    H    PHE  26           HN       PHE  26   2.303  -4.490  -2.380
  161    HA   PHE  26           HA       PHE  26   2.144  -5.220   0.479
  162    HB2  PHE  26           HB2      PHE  26  -0.114  -4.158  -1.186
  163    HB3  PHE  26           HB1      PHE  26  -0.120  -4.461   0.543
  164    HD1  PHE  26           HD1      PHE  26   1.674  -3.141   1.906
  165    HD2  PHE  26           HD2      PHE  26   0.272  -2.037  -1.975
  166    HE1  PHE  26           HE1      PHE  26   2.426  -0.841   2.267
  167    HE2  PHE  26           HE2      PHE  26   1.017   0.188  -1.627
  168    HZ   PHE  26           HZ       PHE  26   2.098   0.834   0.493
  169    HA   PRO  27           HA       PRO  27   1.178  -9.120  -1.730
  170    HB2  PRO  27           HB2      PRO  27   1.494 -10.228   0.981
  171    HB3  PRO  27           HB1      PRO  27   2.334 -10.663  -0.507
  172    HG2  PRO  27           HG2      PRO  27   3.577  -9.340   1.462
  173    HG3  PRO  27           HG1      PRO  27   3.934  -9.019  -0.242
  174    HD2  PRO  27           HD2      PRO  27   2.240  -7.447   1.664
  175    HD3  PRO  27           HD1      PRO  27   3.403  -6.878   0.444
  176    H    ASP  28           HN       ASP  28  -0.246  -7.598   0.984
  177    HA   ASP  28           HA       ASP  28  -2.719  -9.141   0.603
  178    HB2  ASP  28           HB2      ASP  28  -3.180  -9.090   2.979
  179    HB3  ASP  28           HB1      ASP  28  -1.575  -9.762   2.738
  Start of MODEL   16
    1    H1   GLY   1           HN       GLY   1  -1.797  -6.455  -0.306
    2    HA2  GLY   1           HA2      GLY   1  -2.800  -4.453  -0.864
    3    HA3  GLY   1           HA1      GLY   1  -4.297  -5.038  -0.159
    4    H    PHE   2           HN       PHE   2  -3.795  -2.485   0.311
    5    HA   PHE   2           HA       PHE   2  -3.372  -2.465   3.173
    6    HB2  PHE   2           HB2      PHE   2  -1.100  -2.087   2.398
    7    HB3  PHE   2           HB1      PHE   2  -1.641  -0.804   1.333
    8    HD1  PHE   2           HD1      PHE   2  -2.013  -1.627   4.969
    9    HD2  PHE   2           HD2      PHE   2  -1.021   1.287   2.030
   10    HE1  PHE   2           HE1      PHE   2  -1.538   0.010   6.739
   11    HE2  PHE   2           HE2      PHE   2  -0.552   2.910   3.779
   12    HZ   PHE   2           HZ       PHE   2  -0.807   2.283   6.152
   13    H    CYS   3           HN       CYS   3  -4.847  -1.174   4.090
   14    HA   CYS   3           HA       CYS   3  -6.288   0.604   2.332
   15    HB2  CYS   3           HB2      CYS   3  -7.071  -0.637   4.959
   16    HB3  CYS   3           HB1      CYS   3  -8.082   0.452   4.020
   17    H    TRP   4           HN       TRP   4  -6.164   2.587   2.592
   18    HA   TRP   4           HA       TRP   4  -5.274   3.925   4.962
   19    HB2  TRP   4           HB2      TRP   4  -3.139   3.163   4.321
   20    HB3  TRP   4           HB1      TRP   4  -3.475   3.390   2.614
   21    HD1  TRP   4           HD1      TRP   4  -2.619   5.395   5.759
   22    HE1  TRP   4           HE1      TRP   4  -1.591   7.641   4.984
   23    HE3  TRP   4          3HE       TRP   4  -3.290   4.873   0.757
   24    HZ2  TRP   4           HZ2      TRP   4  -1.160   8.949   2.608
   25    HZ3  TRP   4           HZ3      TRP   4  -2.534   6.624  -0.738
   26    HH2  TRP   4          2HH       TRP   4  -1.467   8.669   0.149
   27    H    HIS   5           HN       HIS   5  -5.342   6.304   4.650
   28    HA   HIS   5           HA       HIS   5  -6.461   8.125   4.114
   29    HB2  HIS   5           HB2      HIS   5  -4.675   7.595   2.223
   30    HB3  HIS   5           HB1      HIS   5  -6.122   7.580   1.214
   31    HD1  HIS   5           HD1      HIS   5  -6.645   9.856   0.267
   32    HD2  HIS   5           HD2      HIS   5  -4.691  10.003   3.910
   33    HE1  HIS   5           HE1      HIS   5  -6.311  12.310   0.762
   34    H    HIS   6           HN       HIS   6  -8.101   5.698   4.277
   35    HA   HIS   6           HA       HIS   6 -10.205   5.028   4.101
   36    HB2  HIS   6           HB2      HIS   6 -10.665   7.784   2.979
   37    HB3  HIS   6           HB1      HIS   6 -11.970   6.609   3.095
   38    HD1  HIS   6           HD1      HIS   6 -12.967   6.196   5.416
   39    HD2  HIS   6           HD2      HIS   6  -9.668   8.712   5.458
   40    HE1  HIS   6           HE1      HIS   6 -12.899   7.216   7.716
   41    H    SER   7           HN       SER   7  -8.225   4.974   1.806
   42    HA   SER   7           HA       SER   7 -10.071   3.674  -0.029
   43    HB2  SER   7           HB2      SER   7  -7.487   5.154  -0.620
   44    HB3  SER   7           HB1      SER   7  -8.395   4.214  -1.807
   45    HG   SER   7           HG       SER   7 -10.182   5.589  -1.345
   46    H    CYS   8           HN       CYS   8  -8.296   2.100  -1.391
   47    HA   CYS   8           HA       CYS   8  -6.403   1.014   0.475
   48    HB2  CYS   8           HB2      CYS   8  -8.753   0.082   1.025
   49    HB3  CYS   8           HB1      CYS   8  -8.572  -0.751  -0.528
   50    H    VAL   9           HN       VAL   9  -4.901   0.078  -0.475
   51    HA   VAL   9           HA       VAL   9  -4.966   0.057  -3.364
   52    HB   VAL   9           HB       VAL   9  -2.456  -0.250  -3.301
   53   HG11  VAL   9          HG11      VAL   9  -3.355   1.976  -3.599
   54   HG12  VAL   9          HG12      VAL   9  -1.920   2.006  -2.546
   55   HG13  VAL   9          3HG1      VAL   9  -3.532   2.135  -1.839
   56   HG21  VAL   9          HG21      VAL   9  -2.743   0.291  -0.351
   57   HG22  VAL   9          HG22      VAL   9  -1.252   0.335  -1.272
   58   HG23  VAL   9          HG23      VAL   9  -2.113  -1.196  -1.099
   59    HA   PRO  10           HA       PRO  10  -5.724  -4.249  -3.638
   60    HB2  PRO  10           HB2      PRO  10  -4.088  -4.239  -6.087
   61    HB3  PRO  10           HB1      PRO  10  -5.781  -4.678  -5.867
   62    HG2  PRO  10           HG2      PRO  10  -5.003  -2.386  -7.058
   63    HG3  PRO  10           HG1      PRO  10  -6.508  -2.519  -6.131
   64    HD2  PRO  10           HD2      PRO  10  -3.941  -1.207  -5.421
   65    HD3  PRO  10           HD1      PRO  10  -5.608  -0.812  -4.949
   66    H    SER  11           HN       SER  11  -4.680  -6.336  -3.992
   67    HA   SER  11           HA       SER  11  -2.216  -6.467  -2.523
   68    HB2  SER  11           HB2      SER  11  -3.700  -8.780  -3.795
   69    HB3  SER  11           HB1      SER  11  -2.594  -8.773  -2.405
   70    HG   SER  11           HG       SER  11  -5.093  -7.463  -2.479
   71    H    GLY  12           HN       GLY  12  -0.311  -6.584  -3.417
   72    HA2  GLY  12           HA2      GLY  12   1.232  -7.404  -5.053
   73    HA3  GLY  12           HA1      GLY  12  -0.058  -7.321  -6.255
   74    H    THR  13           HN       THR  13  -0.769  -4.710  -4.736
   75    HA   THR  13           HA       THR  13   0.459  -2.975  -6.554
   76    HB   THR  13           HB       THR  13  -1.117  -2.522  -4.073
   77    HG1  THR  13           HG1      THR  13  -1.801  -2.653  -6.835
   78   HG21  THR  13          HG21      THR  13  -0.055  -0.433  -4.471
   79   HG22  THR  13          HG22      THR  13  -1.684  -0.237  -5.137
   80   HG23  THR  13          HG23      THR  13  -0.315  -0.542  -6.204
   81    H    CYS  14           HN       CYS  14   1.685  -1.312  -6.067
   82    HA   CYS  14           HA       CYS  14   3.368  -1.223  -3.712
   83    HB2  CYS  14           HB2      CYS  14   4.410  -1.209  -6.566
   84    HB3  CYS  14           HB1      CYS  14   5.373  -0.945  -5.124
   85    H    ALA  15           HN       ALA  15   3.453   0.866  -3.134
   86    HA   ALA  15           HA       ALA  15   3.024   2.896  -5.174
   87    HB1  ALA  15           HB1      ALA  15   0.795   2.442  -4.252
   88    HB2  ALA  15           HB2      ALA  15   1.357   4.049  -3.790
   89    HB3  ALA  15           HB3      ALA  15   1.407   2.731  -2.624
   90    H    ASP  16           HN       ASP  16   3.647   5.005  -4.401
   91    HA   ASP  16           HA       ASP  16   5.858   4.724  -2.531
   92    HB2  ASP  16           HB2      ASP  16   6.325   5.631  -4.787
   93    HB3  ASP  16           HB1      ASP  16   5.234   6.968  -4.454
   94    H    PHE  17           HN       PHE  17   5.158   4.974  -0.589
   95    HA   PHE  17           HA       PHE  17   3.185   6.991   0.115
   96    HB2  PHE  17           HB2      PHE  17   4.483   4.738   1.689
   97    HB3  PHE  17           HB1      PHE  17   3.412   5.898   2.394
   98    HD1  PHE  17           HD1      PHE  17   3.441   3.152  -0.202
   99    HD2  PHE  17           HD2      PHE  17   1.097   5.735   2.274
  100    HE1  PHE  17           HE1      PHE  17   1.487   1.938  -0.769
  101    HE2  PHE  17           HE2      PHE  17  -0.876   4.459   1.679
  102    HZ   PHE  17           HZ       PHE  17  -0.703   2.558   0.144
  103    HA   PRO  18           HA       PRO  18   6.120   9.860   1.844
  104    HB2  PRO  18           HB2      PRO  18   4.815   9.836   4.490
  105    HB3  PRO  18           HB1      PRO  18   4.981  11.168   3.347
  106    HG2  PRO  18           HG2      PRO  18   2.615   9.986   3.784
  107    HG3  PRO  18           HG1      PRO  18   3.078  10.581   2.180
  108    HD2  PRO  18           HD2      PRO  18   3.103   7.779   3.234
  109    HD3  PRO  18           HD1      PRO  18   2.592   8.381   1.646
  110    H    TRP  19           HN       TRP  19   7.801  10.125   3.415
  111    HA   TRP  19           HA       TRP  19   9.154   7.804   4.226
  112    HB2  TRP  19           HB2      TRP  19  10.193  10.044   3.809
  113    HB3  TRP  19           HB1      TRP  19   9.425  10.647   5.264
  114    HD1  TRP  19           HD1      TRP  19  12.391   8.587   4.071
  115    HE1  TRP  19           HE1      TRP  19  13.970   8.176   6.055
  116    HE3  TRP  19          3HE       TRP  19   9.428  10.327   7.775
  117    HZ2  TRP  19           HZ2      TRP  19  13.958   8.558   8.865
  118    HZ3  TRP  19           HZ3      TRP  19  10.262  10.292  10.122
  119    HH2  TRP  19          2HH       TRP  19  12.485   9.416  10.640
  120    HA   PRO  20           HA       PRO  20  10.229   6.779   5.545
  121    HB2  PRO  20           HB2      PRO  20  10.603   4.932   7.401
  122    HB3  PRO  20           HB1      PRO  20  10.933   6.637   7.735
  123    HG2  PRO  20           HG2      PRO  20   8.721   4.930   8.691
  124    HG3  PRO  20           HG1      PRO  20   9.407   6.392   9.425
  125    HD2  PRO  20           HD2      PRO  20   7.057   6.126   7.747
  126    HD3  PRO  20           HD1      PRO  20   7.677   7.579   8.560
  127    H    LEU  21           HN       LEU  21   7.339   6.030   4.756
  128    HA   LEU  21           HA       LEU  21   7.439   3.156   4.694
  129    HB2  LEU  21           HB2      LEU  21   5.542   5.224   3.610
  130    HB3  LEU  21           HB1      LEU  21   5.364   3.516   3.268
  131    HG   LEU  21           HG       LEU  21   5.387   4.566   6.097
  132   HD11  LEU  21          HD11      LEU  21   3.581   5.684   4.855
  133   HD12  LEU  21          HD12      LEU  21   2.947   4.502   6.000
  134   HD13  LEU  21          HD13      LEU  21   3.015   4.115   4.278
  135   HD21  LEU  21          HD21      LEU  21   4.216   2.468   6.520
  136   HD22  LEU  21          HD22      LEU  21   5.777   2.163   5.747
  137   HD23  LEU  21          HD23      LEU  21   4.285   2.092   4.802
  138    H    GLY  22           HN       GLY  22   7.366   5.807   2.314
  139    HA2  GLY  22           HA2      GLY  22   8.341   5.984   0.252
  140    HA3  GLY  22           HA1      GLY  22   9.421   4.675   0.724
  141    H    HIS  23           HN       HIS  23   9.320   3.591  -1.197
  142    HA   HIS  23           HA       HIS  23   6.828   2.878  -2.409
  143    HB2  HIS  23           HB2      HIS  23   8.897   3.199  -3.750
  144    HB3  HIS  23           HB1      HIS  23   9.629   1.849  -2.907
  145    HD1  HIS  23           HD1      HIS  23   7.417   2.689  -5.776
  146    HD2  HIS  23           HD2      HIS  23   8.642  -0.627  -3.628
  147    HE1  HIS  23           HE1      HIS  23   6.810   0.693  -7.184
  148    H    GLN  24           HN       GLN  24   5.578   1.588  -1.375
  149    HA   GLN  24           HA       GLN  24   6.681  -0.751   0.020
  150    HB2  GLN  24           HB2      GLN  24   4.224   0.899   0.569
  151    HB3  GLN  24           HB1      GLN  24   4.580  -0.618   1.377
  152    HG2  GLN  24           HG2      GLN  24   6.407   1.772   1.446
  153    HG3  GLN  24           HG1      GLN  24   5.178   1.421   2.667
  154   HE21  GLN  24          1HE2      GLN  24   5.497  -0.257   4.029
  155   HE22  GLN  24          2HE2      GLN  24   7.020  -1.038   4.187
  156    H    CYS  25           HN       CYS  25   5.869  -2.716  -0.478
  157    HA   CYS  25           HA       CYS  25   3.723  -2.849  -2.479
  158    HB2  CYS  25           HB2      CYS  25   6.012  -4.752  -1.977
  159    HB3  CYS  25           HB1      CYS  25   4.703  -5.056  -3.112
  160    H    PHE  26           HN       PHE  26   2.066  -4.327  -2.140
  161    HA   PHE  26           HA       PHE  26   1.970  -5.396   0.623
  162    HB2  PHE  26           HB2      PHE  26  -0.374  -4.198  -0.819
  163    HB3  PHE  26           HB1      PHE  26  -0.234  -4.589   0.891
  164    HD1  PHE  26           HD1      PHE  26   1.464  -3.275   2.263
  165    HD2  PHE  26           HD2      PHE  26   0.147  -2.089  -1.623
  166    HE1  PHE  26           HE1      PHE  26   2.264  -0.984   2.659
  167    HE2  PHE  26           HE2      PHE  26   0.935   0.122  -1.231
  168    HZ   PHE  26           HZ       PHE  26   1.982   0.719   0.863
  169    HA   PRO  27           HA       PRO  27   0.853  -8.956  -2.002
  170    HB2  PRO  27           HB2      PRO  27   1.208 -10.488   0.463
  171    HB3  PRO  27           HB1      PRO  27   2.092 -10.625  -1.058
  172    HG2  PRO  27           HG2      PRO  27   3.230  -9.636   1.182
  173    HG3  PRO  27           HG1      PRO  27   3.666  -9.055  -0.432
  174    HD2  PRO  27           HD2      PRO  27   1.865  -7.813   1.610
  175    HD3  PRO  27           HD1      PRO  27   3.079  -7.058   0.550
  176    H    ASP  28           HN       ASP  28  -0.582  -7.683   0.749
  177    HA   ASP  28           HA       ASP  28  -3.031  -9.267   0.338
  178    HB2  ASP  28           HB2      ASP  28  -3.474  -9.209   2.746
  179    HB3  ASP  28           HB1      ASP  28  -1.910  -9.946   2.446
  Start of MODEL   17
    1    H1   GLY   1           HN       GLY   1  -1.711  -6.478  -0.179
    2    HA2  GLY   1           HA2      GLY   1  -2.665  -4.440  -0.814
    3    HA3  GLY   1           HA1      GLY   1  -4.189  -4.966  -0.116
    4    H    PHE   2           HN       PHE   2  -3.525  -2.423   0.348
    5    HA   PHE   2           HA       PHE   2  -2.857  -2.370   3.200
    6    HB2  PHE   2           HB2      PHE   2  -0.736  -2.036   2.064
    7    HB3  PHE   2           HB1      PHE   2  -1.437  -0.772   1.080
    8    HD1  PHE   2           HD1      PHE   2  -0.734  -1.629   4.636
    9    HD2  PHE   2           HD2      PHE   2  -1.144   1.428   1.703
   10    HE1  PHE   2           HE1      PHE   2   0.090   0.032   6.245
   11    HE2  PHE   2           HE2      PHE   2  -0.336   3.078   3.285
   12    HZ   PHE   2           HZ       PHE   2   0.292   2.396   5.580
   13    H    CYS   3           HN       CYS   3  -3.926  -0.702   4.278
   14    HA   CYS   3           HA       CYS   3  -5.676   0.855   2.595
   15    HB2  CYS   3           HB2      CYS   3  -6.028  -0.100   5.422
   16    HB3  CYS   3           HB1      CYS   3  -7.076   1.099   4.665
   17    H    TRP   4           HN       TRP   4  -5.513   2.802   2.489
   18    HA   TRP   4           HA       TRP   4  -4.285   4.515   4.457
   19    HB2  TRP   4           HB2      TRP   4  -2.242   3.808   3.517
   20    HB3  TRP   4           HB1      TRP   4  -2.894   3.764   1.885
   21    HD1  TRP   4           HD1      TRP   4  -1.660   6.270   4.526
   22    HE1  TRP   4           HE1      TRP   4  -1.045   8.456   3.314
   23    HE3  TRP   4          3HE       TRP   4  -3.183   4.997  -0.143
   24    HZ2  TRP   4           HZ2      TRP   4  -1.205   9.472   0.725
   25    HZ3  TRP   4           HZ3      TRP   4  -2.924   6.568  -1.958
   26    HH2  TRP   4          2HH       TRP   4  -1.947   8.807  -1.567
   27    H    HIS   5           HN       HIS   5  -4.594   6.861   3.903
   28    HA   HIS   5           HA       HIS   5  -5.929   8.528   3.363
   29    HB2  HIS   5           HB2      HIS   5  -4.527   7.915   1.250
   30    HB3  HIS   5           HB1      HIS   5  -6.088   7.450   0.572
   31    HD1  HIS   5           HD1      HIS   5  -6.972   9.379  -0.824
   32    HD2  HIS   5           HD2      HIS   5  -4.990  10.509   2.614
   33    HE1  HIS   5           HE1      HIS   5  -7.075  11.901  -0.808
   34    H    HIS   6           HN       HIS   6  -7.268   6.095   4.253
   35    HA   HIS   6           HA       HIS   6  -9.316   5.206   4.600
   36    HB2  HIS   6           HB2      HIS   6 -10.380   7.636   3.126
   37    HB3  HIS   6           HB1      HIS   6 -11.366   6.502   4.040
   38    HD1  HIS   6           HD1      HIS   6 -11.027   6.560   6.692
   39    HD2  HIS   6           HD2      HIS   6  -9.145   9.564   4.543
   40    HE1  HIS   6           HE1      HIS   6 -10.362   8.308   8.370
   41    H    SER   7           HN       SER   7  -7.821   5.035   1.959
   42    HA   SER   7           HA       SER   7  -9.841   3.474   0.488
   43    HB2  SER   7           HB2      SER   7  -9.039   5.591  -0.699
   44    HB3  SER   7           HB1      SER   7  -7.401   4.969  -0.565
   45    HG   SER   7           HG       SER   7  -9.575   3.836  -1.994
   46    H    CYS   8           HN       CYS   8  -8.402   1.913  -0.887
   47    HA   CYS   8           HA       CYS   8  -6.225   0.954   0.733
   48    HB2  CYS   8           HB2      CYS   8  -8.684  -0.652   0.104
   49    HB3  CYS   8           HB1      CYS   8  -7.194  -1.304   0.858
   50    H    VAL   9           HN       VAL   9  -4.743   0.040  -0.430
   51    HA   VAL   9           HA       VAL   9  -5.262  -0.140  -3.270
   52    HB   VAL   9           HB       VAL   9  -2.776  -0.395  -3.508
   53   HG11  VAL   9          HG11      VAL   9  -3.733   2.032  -2.026
   54   HG12  VAL   9          HG12      VAL   9  -3.740   1.807  -3.800
   55   HG13  VAL   9          3HG1      VAL   9  -2.206   1.910  -2.898
   56   HG21  VAL   9          HG21      VAL   9  -2.223  -1.201  -1.234
   57   HG22  VAL   9          HG22      VAL   9  -2.650   0.420  -0.612
   58   HG23  VAL   9          HG23      VAL   9  -1.306   0.232  -1.704
   59    HA   PRO  10           HA       PRO  10  -5.842  -4.437  -2.842
   60    HB2  PRO  10           HB2      PRO  10  -5.487  -5.199  -5.440
   61    HB3  PRO  10           HB1      PRO  10  -6.946  -4.404  -4.846
   62    HG2  PRO  10           HG2      PRO  10  -4.629  -3.249  -6.333
   63    HG3  PRO  10           HG1      PRO  10  -6.356  -2.886  -6.486
   64    HD2  PRO  10           HD2      PRO  10  -4.593  -1.303  -5.144
   65    HD3  PRO  10           HD1      PRO  10  -6.311  -1.388  -4.730
   66    H    SER  11           HN       SER  11  -4.830  -6.545  -3.286
   67    HA   SER  11           HA       SER  11  -2.153  -6.569  -2.512
   68    HB2  SER  11           HB2      SER  11  -2.384  -9.044  -3.006
   69    HB3  SER  11           HB1      SER  11  -3.534  -8.378  -1.855
   70    HG   SER  11           HG       SER  11  -5.121  -8.729  -3.199
   71    H    GLY  12           HN       GLY  12  -0.322  -6.701  -3.639
   72    HA2  GLY  12           HA2      GLY  12   0.969  -7.265  -5.547
   73    HA3  GLY  12           HA1      GLY  12  -0.490  -7.169  -6.524
   74    H    THR  13           HN       THR  13  -0.709  -4.591  -4.604
   75    HA   THR  13           HA       THR  13   0.219  -2.813  -6.653
   76    HB   THR  13           HB       THR  13  -0.841  -2.188  -3.910
   77    HG1  THR  13           HG1      THR  13  -2.505  -3.113  -4.886
   78   HG21  THR  13          HG21      THR  13  -0.628  -0.415  -6.359
   79   HG22  THR  13          HG22      THR  13   0.268  -0.253  -4.841
   80   HG23  THR  13          HG23      THR  13  -1.464   0.031  -4.868
   81    H    CYS  14           HN       CYS  14   1.689  -1.248  -6.322
   82    HA   CYS  14           HA       CYS  14   3.570  -1.305  -4.112
   83    HB2  CYS  14           HB2      CYS  14   4.371  -1.433  -7.043
   84    HB3  CYS  14           HB1      CYS  14   5.476  -1.143  -5.712
   85    H    ALA  15           HN       ALA  15   3.891   0.770  -3.538
   86    HA   ALA  15           HA       ALA  15   3.623   2.876  -5.521
   87    HB1  ALA  15           HB1      ALA  15   1.784   2.774  -3.138
   88    HB2  ALA  15           HB2      ALA  15   1.303   2.455  -4.798
   89    HB3  ALA  15           HB3      ALA  15   1.865   4.067  -4.338
   90    H    ASP  16           HN       ASP  16   4.219   4.944  -4.700
   91    HA   ASP  16           HA       ASP  16   6.111   4.825  -2.493
   92    HB2  ASP  16           HB2      ASP  16   6.965   5.811  -4.536
   93    HB3  ASP  16           HB1      ASP  16   5.584   6.891  -4.647
   94    H    PHE  17           HN       PHE  17   5.219   5.122  -0.641
   95    HA   PHE  17           HA       PHE  17   2.986   6.990  -0.277
   96    HB2  PHE  17           HB2      PHE  17   4.106   4.777   1.454
   97    HB3  PHE  17           HB1      PHE  17   2.799   5.793   1.971
   98    HD1  PHE  17           HD1      PHE  17   0.560   5.606   0.961
   99    HD2  PHE  17           HD2      PHE  17   3.755   3.049  -0.224
  100    HE1  PHE  17           HE1      PHE  17  -1.025   4.119  -0.124
  101    HE2  PHE  17           HE2      PHE  17   2.184   1.590  -1.296
  102    HZ   PHE  17           HZ       PHE  17  -0.234   2.103  -1.265
  103    HA   PRO  18           HA       PRO  18   5.426   9.924   2.045
  104    HB2  PRO  18           HB2      PRO  18   3.757   9.462   4.465
  105    HB3  PRO  18           HB1      PRO  18   4.085  10.969   3.604
  106    HG2  PRO  18           HG2      PRO  18   1.717   9.796   3.389
  107    HG3  PRO  18           HG1      PRO  18   2.484  10.538   1.974
  108    HD2  PRO  18           HD2      PRO  18   2.309   7.660   2.748
  109    HD3  PRO  18           HD1      PRO  18   2.110   8.391   1.144
  110    H    TRP  19           HN       TRP  19   6.870  10.172   3.854
  111    HA   TRP  19           HA       TRP  19   8.314   7.857   4.620
  112    HB2  TRP  19           HB2      TRP  19   9.154  10.257   4.442
  113    HB3  TRP  19           HB1      TRP  19   8.280  10.597   5.925
  114    HD1  TRP  19           HD1      TRP  19  11.428   8.933   4.604
  115    HE1  TRP  19           HE1      TRP  19  12.993   8.422   6.558
  116    HE3  TRP  19          3HE       TRP  19   8.257  10.013   8.390
  117    HZ2  TRP  19           HZ2      TRP  19  12.887   8.477   9.407
  118    HZ3  TRP  19           HZ3      TRP  19   9.041   9.770  10.739
  119    HH2  TRP  19          2HH       TRP  19  11.314   9.012  11.221
  120    HA   PRO  20           HA       PRO  20   9.294   6.803   6.085
  121    HB2  PRO  20           HB2      PRO  20   9.510   4.911   7.892
  122    HB3  PRO  20           HB1      PRO  20   9.631   6.608   8.376
  123    HG2  PRO  20           HG2      PRO  20   7.393   4.685   8.769
  124    HG3  PRO  20           HG1      PRO  20   7.912   6.029   9.797
  125    HD2  PRO  20           HD2      PRO  20   5.818   6.025   7.852
  126    HD3  PRO  20           HD1      PRO  20   6.403   7.403   8.804
  127    H    LEU  21           HN       LEU  21   6.586   5.980   4.846
  128    HA   LEU  21           HA       LEU  21   6.763   3.119   4.744
  129    HB2  LEU  21           HB2      LEU  21   5.017   5.144   3.379
  130    HB3  LEU  21           HB1      LEU  21   4.940   3.432   3.010
  131    HG   LEU  21           HG       LEU  21   4.463   4.512   5.793
  132   HD11  LEU  21          HD11      LEU  21   2.086   4.262   5.299
  133   HD12  LEU  21          HD12      LEU  21   2.481   3.831   3.633
  134   HD13  LEU  21          HD13      LEU  21   2.816   5.463   4.227
  135   HD21  LEU  21          HD21      LEU  21   3.378   2.358   6.090
  136   HD22  LEU  21          HD22      LEU  21   5.060   2.138   5.580
  137   HD23  LEU  21          HD23      LEU  21   3.741   1.957   4.413
  138    H    GLY  22           HN       GLY  22   7.079   5.776   2.403
  139    HA2  GLY  22           HA2      GLY  22   8.462   5.925   0.536
  140    HA3  GLY  22           HA1      GLY  22   9.335   4.526   1.148
  141    H    HIS  23           HN       HIS  23   9.450   3.381  -0.779
  142    HA   HIS  23           HA       HIS  23   6.980   2.889  -2.210
  143    HB2  HIS  23           HB2      HIS  23   9.143   3.225  -3.482
  144    HB3  HIS  23           HB1      HIS  23   9.730   1.730  -2.768
  145    HD1  HIS  23           HD1      HIS  23   7.512   3.040  -5.482
  146    HD2  HIS  23           HD2      HIS  23   8.559  -0.564  -3.741
  147    HE1  HIS  23           HE1      HIS  23   6.628   1.266  -7.017
  148    H    GLN  24           HN       GLN  24   5.692   1.356  -1.645
  149    HA   GLN  24           HA       GLN  24   6.772  -1.017  -0.261
  150    HB2  GLN  24           HB2      GLN  24   4.270   0.536   0.360
  151    HB3  GLN  24           HB1      GLN  24   4.652  -1.030   1.048
  152    HG2  GLN  24           HG2      GLN  24   6.387   1.398   1.377
  153    HG3  GLN  24           HG1      GLN  24   5.105   0.957   2.499
  154   HE21  GLN  24          1HE2      GLN  24   6.491   0.682   4.157
  155   HE22  GLN  24          2HE2      GLN  24   7.597  -0.647   4.281
  156    H    CYS  25           HN       CYS  25   5.864  -2.958  -0.809
  157    HA   CYS  25           HA       CYS  25   3.724  -2.963  -2.804
  158    HB2  CYS  25           HB2      CYS  25   5.980  -4.953  -2.390
  159    HB3  CYS  25           HB1      CYS  25   4.639  -5.197  -3.501
  160    H    PHE  26           HN       PHE  26   2.062  -4.608  -2.459
  161    HA   PHE  26           HA       PHE  26   2.013  -5.455   0.381
  162    HB2  PHE  26           HB2      PHE  26  -0.336  -4.301  -1.087
  163    HB3  PHE  26           HB1      PHE  26  -0.225  -4.688   0.627
  164    HD1  PHE  26           HD1      PHE  26   1.718  -3.493   1.892
  165    HD2  PHE  26           HD2      PHE  26  -0.006  -2.108  -1.769
  166    HE1  PHE  26           HE1      PHE  26   2.555  -1.224   2.324
  167    HE2  PHE  26           HE2      PHE  26   0.826   0.081  -1.336
  168    HZ   PHE  26           HZ       PHE  26   2.094   0.570   0.668
  169    HA   PRO  27           HA       PRO  27   0.976  -9.388  -1.702
  170    HB2  PRO  27           HB2      PRO  27   1.036 -10.245   1.138
  171    HB3  PRO  27           HB1      PRO  27   1.860 -10.940  -0.262
  172    HG2  PRO  27           HG2      PRO  27   3.227  -9.545   1.531
  173    HG3  PRO  27           HG1      PRO  27   3.570  -9.369  -0.201
  174    HD2  PRO  27           HD2      PRO  27   2.023  -7.563   1.616
  175    HD3  PRO  27           HD1      PRO  27   3.202  -7.155   0.349
  176    H    ASP  28           HN       ASP  28  -0.637  -7.835   0.996
  177    HA   ASP  28           HA       ASP  28  -3.144  -9.219   0.265
  178    HB2  ASP  28           HB2      ASP  28  -2.180  -8.458   3.022
  179    HB3  ASP  28           HB1      ASP  28  -3.859  -8.824   2.671
  Start of MODEL   18
    1    H1   GLY   1           HN       GLY   1  -1.343  -6.356   0.059
    2    HA2  GLY   1           HA2      GLY   1  -2.547  -4.464  -0.610
    3    HA3  GLY   1           HA1      GLY   1  -3.957  -5.098   0.229
    4    H    PHE   2           HN       PHE   2  -3.608  -2.508   0.550
    5    HA   PHE   2           HA       PHE   2  -3.003  -2.232   3.368
    6    HB2  PHE   2           HB2      PHE   2  -0.796  -1.912   2.387
    7    HB3  PHE   2           HB1      PHE   2  -1.438  -0.729   1.266
    8    HD1  PHE   2           HD1      PHE   2  -1.298  -1.318   4.933
    9    HD2  PHE   2           HD2      PHE   2  -1.009   1.465   1.743
   10    HE1  PHE   2           HE1      PHE   2  -0.706   0.446   6.531
   11    HE2  PHE   2           HE2      PHE   2  -0.422   3.229   3.308
   12    HZ   PHE   2           HZ       PHE   2  -0.262   2.739   5.721
   13    H    CYS   3           HN       CYS   3  -4.373  -0.706   4.247
   14    HA   CYS   3           HA       CYS   3  -5.909   0.787   2.307
   15    HB2  CYS   3           HB2      CYS   3  -6.691  -0.134   5.076
   16    HB3  CYS   3           HB1      CYS   3  -7.709   0.811   3.997
   17    H    TRP   4           HN       TRP   4  -5.906   2.861   2.427
   18    HA   TRP   4           HA       TRP   4  -4.879   4.405   4.614
   19    HB2  TRP   4           HB2      TRP   4  -2.767   3.576   3.936
   20    HB3  TRP   4           HB1      TRP   4  -3.176   3.688   2.236
   21    HD1  TRP   4           HD1      TRP   4  -2.154   5.893   5.191
   22    HE1  TRP   4           HE1      TRP   4  -1.119   8.050   4.249
   23    HE3  TRP   4          3HE       TRP   4  -3.077   5.074   0.274
   24    HZ2  TRP   4           HZ2      TRP   4  -0.788   9.225   1.749
   25    HZ3  TRP   4           HZ3      TRP   4  -2.376   6.708  -1.365
   26    HH2  TRP   4          2HH       TRP   4  -1.232   8.790  -0.668
   27    H    HIS   5           HN       HIS   5  -4.951   6.818   4.056
   28    HA   HIS   5           HA       HIS   5  -6.038   8.566   3.307
   29    HB2  HIS   5           HB2      HIS   5  -4.327   7.813   1.519
   30    HB3  HIS   5           HB1      HIS   5  -5.754   7.468   0.539
   31    HD1  HIS   5           HD1      HIS   5  -6.132   9.425  -1.012
   32    HD2  HIS   5           HD2      HIS   5  -4.830  10.479   2.763
   33    HE1  HIS   5           HE1      HIS   5  -6.031  11.952  -1.029
   34    H    HIS   6           HN       HIS   6  -7.686   6.254   3.935
   35    HA   HIS   6           HA       HIS   6  -9.790   5.541   3.924
   36    HB2  HIS   6           HB2      HIS   6 -10.316   8.132   2.459
   37    HB3  HIS   6           HB1      HIS   6 -11.593   7.008   2.920
   38    HD1  HIS   6           HD1      HIS   6 -12.627   7.488   5.162
   39    HD2  HIS   6           HD2      HIS   6  -8.785   9.024   4.821
   40    HE1  HIS   6           HE1      HIS   6 -12.203   8.764   7.284
   41    H    SER   7           HN       SER   7  -7.922   5.224   1.570
   42    HA   SER   7           HA       SER   7  -9.843   3.884  -0.191
   43    HB2  SER   7           HB2      SER   7  -8.127   4.227  -2.005
   44    HB3  SER   7           HB1      SER   7  -8.765   5.738  -1.357
   45    HG   SER   7           HG       SER   7  -6.646   5.200   0.106
   46    H    CYS   8           HN       CYS   8  -8.179   2.077  -1.433
   47    HA   CYS   8           HA       CYS   8  -6.298   1.122   0.471
   48    HB2  CYS   8           HB2      CYS   8  -8.542   0.290   1.307
   49    HB3  CYS   8           HB1      CYS   8  -8.592  -0.646  -0.204
   50    H    VAL   9           HN       VAL   9  -4.854   0.170  -0.429
   51    HA   VAL   9           HA       VAL   9  -5.052  -0.297  -3.274
   52    HB   VAL   9           HB       VAL   9  -2.561  -0.529  -3.264
   53   HG11  VAL   9          HG11      VAL   9  -3.521   1.643  -3.825
   54   HG12  VAL   9          HG12      VAL   9  -2.045   1.857  -2.870
   55   HG13  VAL   9          3HG1      VAL   9  -3.618   2.046  -2.104
   56   HG21  VAL   9          HG21      VAL   9  -2.725   0.458  -0.424
   57   HG22  VAL   9          HG22      VAL   9  -1.269   0.326  -1.392
   58   HG23  VAL   9          HG23      VAL   9  -2.151  -1.140  -0.943
   59    HA   PRO  10           HA       PRO  10  -5.615  -4.535  -2.378
   60    HB2  PRO  10           HB2      PRO  10  -5.548  -5.475  -4.924
   61    HB3  PRO  10           HB1      PRO  10  -6.932  -4.614  -4.246
   62    HG2  PRO  10           HG2      PRO  10  -4.819  -3.662  -6.100
   63    HG3  PRO  10           HG1      PRO  10  -6.528  -3.209  -6.009
   64    HD2  PRO  10           HD2      PRO  10  -4.418  -1.711  -5.026
   65    HD3  PRO  10           HD1      PRO  10  -6.100  -1.528  -4.515
   66    H    SER  11           HN       SER  11  -4.657  -6.667  -2.786
   67    HA   SER  11           HA       SER  11  -1.924  -6.695  -2.313
   68    HB2  SER  11           HB2      SER  11  -2.214  -9.190  -2.763
   69    HB3  SER  11           HB1      SER  11  -3.185  -8.489  -1.476
   70    HG   SER  11           HG       SER  11  -4.319  -8.467  -4.025
   71    H    GLY  12           HN       GLY  12  -0.229  -6.705  -3.576
   72    HA2  GLY  12           HA2      GLY  12   0.936  -7.391  -5.563
   73    HA3  GLY  12           HA1      GLY  12  -0.574  -7.228  -6.451
   74    H    THR  13           HN       THR  13  -0.853  -4.689  -4.638
   75    HA   THR  13           HA       THR  13   0.105  -2.923  -6.662
   76    HB   THR  13           HB       THR  13  -1.254  -2.451  -4.049
   77    HG1  THR  13           HG1      THR  13  -2.193  -3.539  -6.057
   78   HG21  THR  13          HG21      THR  13  -1.912  -0.183  -5.017
   79   HG22  THR  13          HG22      THR  13  -0.693  -0.443  -6.261
   80   HG23  THR  13          HG23      THR  13  -0.229  -0.366  -4.559
   81    H    CYS  14           HN       CYS  14   1.359  -1.197  -6.264
   82    HA   CYS  14           HA       CYS  14   3.308  -1.171  -4.112
   83    HB2  CYS  14           HB2      CYS  14   4.051  -1.237  -7.059
   84    HB3  CYS  14           HB1      CYS  14   5.166  -0.920  -5.742
   85    H    ALA  15           HN       ALA  15   3.532   0.919  -3.549
   86    HA   ALA  15           HA       ALA  15   3.152   2.990  -5.539
   87    HB1  ALA  15           HB1      ALA  15   0.853   2.519  -4.827
   88    HB2  ALA  15           HB2      ALA  15   1.366   4.130  -4.320
   89    HB3  ALA  15           HB3      ALA  15   1.312   2.813  -3.150
   90    H    ASP  16           HN       ASP  16   3.323   5.167  -4.426
   91    HA   ASP  16           HA       ASP  16   5.558   5.034  -2.544
   92    HB2  ASP  16           HB2      ASP  16   6.082   6.202  -4.584
   93    HB3  ASP  16           HB1      ASP  16   4.638   7.194  -4.433
   94    H    PHE  17           HN       PHE  17   5.160   5.434  -0.557
   95    HA   PHE  17           HA       PHE  17   2.907   7.152   0.234
   96    HB2  PHE  17           HB2      PHE  17   4.141   4.773   1.636
   97    HB3  PHE  17           HB1      PHE  17   2.863   5.718   2.324
   98    HD1  PHE  17           HD1      PHE  17   0.551   5.481   1.533
   99    HD2  PHE  17           HD2      PHE  17   3.715   3.275  -0.270
  100    HE1  PHE  17           HE1      PHE  17  -1.066   4.069   0.397
  101    HE2  PHE  17           HE2      PHE  17   2.109   1.889  -1.389
  102    HZ   PHE  17           HZ       PHE  17  -0.309   2.268  -1.075
  103    HA   PRO  18           HA       PRO  18   5.851   9.704   2.422
  104    HB2  PRO  18           HB2      PRO  18   4.332   9.314   4.941
  105    HB3  PRO  18           HB1      PRO  18   4.715  10.816   4.097
  106    HG2  PRO  18           HG2      PRO  18   2.250   9.854   4.050
  107    HG3  PRO  18           HG1      PRO  18   2.967  10.569   2.593
  108    HD2  PRO  18           HD2      PRO  18   2.624   7.673   3.307
  109    HD3  PRO  18           HD1      PRO  18   2.327   8.488   1.758
  110    H    TRP  19           HN       TRP  19   7.447   9.700   4.160
  111    HA   TRP  19           HA       TRP  19   8.584   7.110   4.601
  112    HB2  TRP  19           HB2      TRP  19   9.806   9.336   4.290
  113    HB3  TRP  19           HB1      TRP  19   9.341   9.717   5.944
  114    HD1  TRP  19           HD1      TRP  19  11.617   7.399   3.914
  115    HE1  TRP  19           HE1      TRP  19  13.404   6.425   5.473
  116    HE3  TRP  19          3HE       TRP  19   9.830   9.179   8.254
  117    HZ2  TRP  19           HZ2      TRP  19  14.005   6.463   8.255
  118    HZ3  TRP  19           HZ3      TRP  19  11.052   8.707  10.377
  119    HH2  TRP  19          2HH       TRP  19  13.099   7.365  10.360
  120    HA   PRO  20           HA       PRO  20   9.780   5.996   5.967
  121    HB2  PRO  20           HB2      PRO  20   9.911   3.907   7.566
  122    HB3  PRO  20           HB1      PRO  20  10.310   5.524   8.162
  123    HG2  PRO  20           HG2      PRO  20   7.877   3.881   8.641
  124    HG3  PRO  20           HG1      PRO  20   8.678   5.043   9.711
  125    HD2  PRO  20           HD2      PRO  20   6.415   5.494   8.031
  126    HD3  PRO  20           HD1      PRO  20   7.292   6.699   8.993
  127    H    LEU  21           HN       LEU  21   6.838   5.536   4.975
  128    HA   LEU  21           HA       LEU  21   6.899   2.717   4.475
  129    HB2  LEU  21           HB2      LEU  21   5.105   4.949   3.550
  130    HB3  LEU  21           HB1      LEU  21   4.932   3.300   2.980
  131    HG   LEU  21           HG       LEU  21   4.719   4.062   5.902
  132   HD11  LEU  21          HD11      LEU  21   2.551   3.611   3.862
  133   HD12  LEU  21          HD12      LEU  21   2.952   5.172   4.593
  134   HD13  LEU  21          HD13      LEU  21   2.307   3.862   5.589
  135   HD21  LEU  21          HD21      LEU  21   3.639   1.888   6.068
  136   HD22  LEU  21          HD22      LEU  21   5.274   1.718   5.408
  137   HD23  LEU  21          HD23      LEU  21   3.865   1.656   4.337
  138    H    GLY  22           HN       GLY  22   7.100   5.670   2.474
  139    HA2  GLY  22           HA2      GLY  22   8.271   6.054   0.530
  140    HA3  GLY  22           HA1      GLY  22   9.248   4.642   0.927
  141    H    HIS  23           HN       HIS  23   9.249   3.628  -1.041
  142    HA   HIS  23           HA       HIS  23   6.718   3.158  -2.360
  143    HB2  HIS  23           HB2      HIS  23   8.819   3.559  -3.708
  144    HB3  HIS  23           HB1      HIS  23   9.452   2.047  -3.075
  145    HD1  HIS  23           HD1      HIS  23   7.250   3.436  -5.704
  146    HD2  HIS  23           HD2      HIS  23   8.140  -0.216  -4.004
  147    HE1  HIS  23           HE1      HIS  23   6.324   1.712  -7.292
  148    H    GLN  24           HN       GLN  24   5.483   1.604  -1.754
  149    HA   GLN  24           HA       GLN  24   6.659  -0.715  -0.384
  150    HB2  GLN  24           HB2      GLN  24   4.151   0.808   0.215
  151    HB3  GLN  24           HB1      GLN  24   4.475  -0.789   0.866
  152    HG2  GLN  24           HG2      GLN  24   6.296   1.561   1.275
  153    HG3  GLN  24           HG1      GLN  24   4.992   1.115   2.381
  154   HE21  GLN  24          1HE2      GLN  24   5.190  -0.713   3.562
  155   HE22  GLN  24          2HE2      GLN  24   6.709  -1.514   3.755
  156    H    CYS  25           HN       CYS  25   5.983  -2.672  -1.011
  157    HA   CYS  25           HA       CYS  25   3.775  -2.832  -2.923
  158    HB2  CYS  25           HB2      CYS  25   6.176  -4.636  -2.560
  159    HB3  CYS  25           HB1      CYS  25   4.803  -5.059  -3.576
  160    H    PHE  26           HN       PHE  26   2.120  -4.241  -2.450
  161    HA   PHE  26           HA       PHE  26   2.166  -5.176   0.354
  162    HB2  PHE  26           HB2      PHE  26  -0.177  -4.133  -1.184
  163    HB3  PHE  26           HB1      PHE  26  -0.140  -4.533   0.525
  164    HD1  PHE  26           HD1      PHE  26   1.563  -3.257   1.963
  165    HD2  PHE  26           HD2      PHE  26   0.250  -2.030  -1.895
  166    HE1  PHE  26           HE1      PHE  26   2.273  -0.952   2.436
  167    HE2  PHE  26           HE2      PHE  26   0.946   0.218  -1.429
  168    HZ   PHE  26           HZ       PHE  26   1.945   0.791   0.692
  169    HA   PRO  27           HA       PRO  27   1.199  -9.099  -1.770
  170    HB2  PRO  27           HB2      PRO  27   1.719 -10.179   0.915
  171    HB3  PRO  27           HB1      PRO  27   2.493 -10.583  -0.618
  172    HG2  PRO  27           HG2      PRO  27   3.785  -9.208   1.291
  173    HG3  PRO  27           HG1      PRO  27   4.049  -8.878  -0.429
  174    HD2  PRO  27           HD2      PRO  27   2.389  -7.382   1.555
  175    HD3  PRO  27           HD1      PRO  27   3.471  -6.766   0.283
  176    H    ASP  28           HN       ASP  28  -0.099  -7.593   1.019
  177    HA   ASP  28           HA       ASP  28  -2.518  -9.263   0.866
  178    HB2  ASP  28           HB2      ASP  28  -1.239  -9.709   2.943
  179    HB3  ASP  28           HB1      ASP  28  -1.281  -8.002   3.340
  Start of MODEL   19
    1    H1   GLY   1           HN       GLY   1  -1.334  -6.157  -0.026
    2    HA2  GLY   1           HA2      GLY   1  -2.434  -4.254  -0.757
    3    HA3  GLY   1           HA1      GLY   1  -3.889  -4.833   0.049
    4    H    PHE   2           HN       PHE   2  -3.564  -2.262   0.329
    5    HA   PHE   2           HA       PHE   2  -2.968  -2.000   3.157
    6    HB2  PHE   2           HB2      PHE   2  -0.812  -1.490   2.134
    7    HB3  PHE   2           HB1      PHE   2  -1.564  -0.306   1.085
    8    HD1  PHE   2           HD1      PHE   2  -1.569  -1.024   4.732
    9    HD2  PHE   2           HD2      PHE   2  -1.042   1.852   1.651
   10    HE1  PHE   2           HE1      PHE   2  -1.100   0.693   6.416
   11    HE2  PHE   2           HE2      PHE   2  -0.570   3.577   3.328
   12    HZ   PHE   2           HZ       PHE   2  -0.598   3.003   5.719
   13    H    CYS   3           HN       CYS   3  -4.519  -0.819   4.059
   14    HA   CYS   3           HA       CYS   3  -6.184   0.731   2.283
   15    HB2  CYS   3           HB2      CYS   3  -6.841  -0.487   4.974
   16    HB3  CYS   3           HB1      CYS   3  -7.952   0.382   3.930
   17    H    TRP   4           HN       TRP   4  -6.175   2.753   2.487
   18    HA   TRP   4           HA       TRP   4  -5.284   4.183   4.833
   19    HB2  TRP   4           HB2      TRP   4  -3.141   3.748   4.095
   20    HB3  TRP   4           HB1      TRP   4  -3.634   3.607   2.420
   21    HD1  TRP   4           HD1      TRP   4  -2.649   6.188   5.026
   22    HE1  TRP   4           HE1      TRP   4  -2.007   8.349   3.783
   23    HE3  TRP   4          3HE       TRP   4  -3.982   4.805   0.334
   24    HZ2  TRP   4           HZ2      TRP   4  -2.110   9.297   1.251
   25    HZ3  TRP   4           HZ3      TRP   4  -3.679   6.372  -1.497
   26    HH2  TRP   4          2HH       TRP   4  -2.742   8.620  -1.089
   27    H    HIS   5           HN       HIS   5  -5.524   6.589   4.463
   28    HA   HIS   5           HA       HIS   5  -7.155   8.146   4.183
   29    HB2  HIS   5           HB2      HIS   5  -5.608   7.758   1.736
   30    HB3  HIS   5           HB1      HIS   5  -6.989   8.874   1.592
   31    HD1  HIS   5           HD1      HIS   5  -4.925  10.628   1.150
   32    HD2  HIS   5           HD2      HIS   5  -5.260   9.075   4.990
   33    HE1  HIS   5           HE1      HIS   5  -3.534  12.124   2.639
   34    H    HIS   6           HN       HIS   6  -8.560   5.928   4.391
   35    HA   HIS   6           HA       HIS   6 -10.588   4.988   4.099
   36    HB2  HIS   6           HB2      HIS   6 -11.191   7.660   2.823
   37    HB3  HIS   6           HB1      HIS   6 -12.422   6.436   3.106
   38    HD1  HIS   6           HD1      HIS   6 -13.162   6.065   5.587
   39    HD2  HIS   6           HD2      HIS   6 -10.287   9.012   5.069
   40    HE1  HIS   6           HE1      HIS   6 -13.070   7.338   7.762
   41    H    SER   7           HN       SER   7  -8.540   4.853   1.914
   42    HA   SER   7           HA       SER   7 -10.258   3.618  -0.097
   43    HB2  SER   7           HB2      SER   7  -7.643   5.110  -0.507
   44    HB3  SER   7           HB1      SER   7  -8.625   4.368  -1.772
   45    HG   SER   7           HG       SER   7  -9.132   6.653  -0.214
   46    H    CYS   8           HN       CYS   8  -8.556   1.994  -1.348
   47    HA   CYS   8           HA       CYS   8  -6.468   1.128   0.431
   48    HB2  CYS   8           HB2      CYS   8  -8.571   0.071   1.307
   49    HB3  CYS   8           HB1      CYS   8  -8.672  -0.773  -0.254
   50    H    VAL   9           HN       VAL   9  -4.969   0.195  -0.529
   51    HA   VAL   9           HA       VAL   9  -5.202  -0.082  -3.417
   52    HB   VAL   9           HB       VAL   9  -2.726  -0.270  -3.526
   53   HG11  VAL   9          HG11      VAL   9  -3.634   1.957  -3.740
   54   HG12  VAL   9          HG12      VAL   9  -2.106   1.988  -2.844
   55   HG13  VAL   9          3HG1      VAL   9  -3.638   2.136  -1.974
   56   HG21  VAL   9          HG21      VAL   9  -2.751   0.243  -0.563
   57   HG22  VAL   9          HG22      VAL   9  -1.325   0.286  -1.588
   58   HG23  VAL   9          HG23      VAL   9  -2.193  -1.238  -1.361
   59    HA   PRO  10           HA       PRO  10  -5.817  -4.375  -2.936
   60    HB2  PRO  10           HB2      PRO  10  -5.216  -5.166  -5.487
   61    HB3  PRO  10           HB1      PRO  10  -6.749  -4.424  -5.029
   62    HG2  PRO  10           HG2      PRO  10  -4.380  -3.224  -6.369
   63    HG3  PRO  10           HG1      PRO  10  -6.102  -2.895  -6.624
   64    HD2  PRO  10           HD2      PRO  10  -4.429  -1.274  -5.203
   65    HD3  PRO  10           HD1      PRO  10  -6.172  -1.363  -4.905
   66    H    SER  11           HN       SER  11  -4.712  -6.452  -3.076
   67    HA   SER  11           HA       SER  11  -2.027  -6.272  -2.303
   68    HB2  SER  11           HB2      SER  11  -3.468  -8.768  -3.201
   69    HB3  SER  11           HB1      SER  11  -2.188  -8.568  -1.983
   70    HG   SER  11           HG       SER  11  -4.643  -8.687  -1.439
   71    H    GLY  12           HN       GLY  12  -0.201  -6.689  -3.451
   72    HA2  GLY  12           HA2      GLY  12   0.990  -7.531  -5.335
   73    HA3  GLY  12           HA1      GLY  12  -0.468  -7.329  -6.307
   74    H    THR  13           HN       THR  13  -0.681  -4.726  -4.643
   75    HA   THR  13           HA       THR  13   0.435  -3.043  -6.672
   76    HB   THR  13           HB       THR  13  -0.941  -2.403  -4.085
   77    HG1  THR  13           HG1      THR  13  -2.490  -3.267  -5.117
   78   HG21  THR  13          HG21      THR  13  -0.514  -0.638  -6.516
   79   HG22  THR  13          HG22      THR  13   0.176  -0.417  -4.895
   80   HG23  THR  13          HG23      THR  13  -1.553  -0.245  -5.142
   81    H    CYS  14           HN       CYS  14   1.757  -1.328  -6.207
   82    HA   CYS  14           HA       CYS  14   3.445  -1.274  -3.864
   83    HB2  CYS  14           HB2      CYS  14   4.518  -1.316  -6.724
   84    HB3  CYS  14           HB1      CYS  14   5.479  -0.992  -5.290
   85    H    ALA  15           HN       ALA  15   3.566   0.846  -3.306
   86    HA   ALA  15           HA       ALA  15   2.936   2.801  -5.373
   87    HB1  ALA  15           HB1      ALA  15   0.783   2.188  -4.373
   88    HB2  ALA  15           HB2      ALA  15   1.214   3.863  -4.028
   89    HB3  ALA  15           HB3      ALA  15   1.403   2.631  -2.782
   90    H    ASP  16           HN       ASP  16   3.232   4.988  -4.635
   91    HA   ASP  16           HA       ASP  16   5.669   5.170  -3.081
   92    HB2  ASP  16           HB2      ASP  16   5.578   6.269  -5.257
   93    HB3  ASP  16           HB1      ASP  16   4.176   7.197  -4.745
   94    H    PHE  17           HN       PHE  17   5.399   5.420  -0.977
   95    HA   PHE  17           HA       PHE  17   3.459   7.411  -0.120
   96    HB2  PHE  17           HB2      PHE  17   4.277   4.880   1.374
   97    HB3  PHE  17           HB1      PHE  17   3.378   6.156   2.066
   98    HD1  PHE  17           HD1      PHE  17   1.175   6.870   1.140
   99    HD2  PHE  17           HD2      PHE  17   2.955   3.133   0.024
  100    HE1  PHE  17           HE1      PHE  17  -0.988   6.014   0.412
  101    HE2  PHE  17           HE2      PHE  17   0.831   2.335  -0.673
  102    HZ   PHE  17           HZ       PHE  17  -1.176   3.748  -0.502
  103    HA   PRO  18           HA       PRO  18   6.924   9.442   1.771
  104    HB2  PRO  18           HB2      PRO  18   5.461   9.935   4.258
  105    HB3  PRO  18           HB1      PRO  18   5.966  11.092   3.025
  106    HG2  PRO  18           HG2      PRO  18   3.374  10.446   3.404
  107    HG3  PRO  18           HG1      PRO  18   4.034  10.848   1.811
  108    HD2  PRO  18           HD2      PRO  18   3.451   8.129   2.970
  109    HD3  PRO  18           HD1      PRO  18   3.124   8.776   1.348
  110    H    TRP  19           HN       TRP  19   8.442   9.336   3.540
  111    HA   TRP  19           HA       TRP  19   9.049   6.782   4.526
  112    HB2  TRP  19           HB2      TRP  19  10.595   8.780   4.267
  113    HB3  TRP  19           HB1      TRP  19   9.837   9.453   5.701
  114    HD1  TRP  19           HD1      TRP  19  12.312   6.762   4.598
  115    HE1  TRP  19           HE1      TRP  19  13.578   5.903   6.666
  116    HE3  TRP  19          3HE       TRP  19   9.617   9.110   8.168
  117    HZ2  TRP  19           HZ2      TRP  19  13.450   6.208   9.476
  118    HZ3  TRP  19           HZ3      TRP  19  10.235   8.802  10.561
  119    HH2  TRP  19          2HH       TRP  19  12.116   7.371  11.186
  120    HA   PRO  20           HA       PRO  20   9.811   5.685   6.164
  121    HB2  PRO  20           HB2      PRO  20   9.217   3.666   7.861
  122    HB3  PRO  20           HB1      PRO  20  10.029   5.149   8.364
  123    HG2  PRO  20           HG2      PRO  20   7.315   4.241   8.967
  124    HG3  PRO  20           HG1      PRO  20   8.256   5.528   9.728
  125    HD2  PRO  20           HD2      PRO  20   6.182   5.726   7.694
  126    HD3  PRO  20           HD1      PRO  20   6.959   7.022   8.622
  127    H    LEU  21           HN       LEU  21   6.870   5.546   4.890
  128    HA   LEU  21           HA       LEU  21   6.671   2.732   4.460
  129    HB2  LEU  21           HB2      LEU  21   5.253   5.112   3.274
  130    HB3  LEU  21           HB1      LEU  21   4.853   3.446   2.900
  131    HG   LEU  21           HG       LEU  21   4.659   4.639   5.675
  132   HD11  LEU  21          HD11      LEU  21   2.505   4.165   3.616
  133   HD12  LEU  21          HD12      LEU  21   3.070   5.739   4.185
  134   HD13  LEU  21          HD13      LEU  21   2.239   4.645   5.290
  135   HD21  LEU  21          HD21      LEU  21   3.331   2.663   6.128
  136   HD22  LEU  21          HD22      LEU  21   4.952   2.208   5.584
  137   HD23  LEU  21          HD23      LEU  21   3.576   2.124   4.470
  138    H    GLY  22           HN       GLY  22   7.303   5.582   2.415
  139    HA2  GLY  22           HA2      GLY  22   8.676   5.813   0.576
  140    HA3  GLY  22           HA1      GLY  22   9.454   4.307   1.063
  141    H    HIS  23           HN       HIS  23   9.518   3.256  -0.861
  142    HA   HIS  23           HA       HIS  23   7.062   2.979  -2.379
  143    HB2  HIS  23           HB2      HIS  23   9.331   3.245  -3.548
  144    HB3  HIS  23           HB1      HIS  23   9.747   1.667  -2.911
  145    HD1  HIS  23           HD1      HIS  23   7.629   3.320  -5.563
  146    HD2  HIS  23           HD2      HIS  23   8.592  -0.461  -4.155
  147    HE1  HIS  23           HE1      HIS  23   6.781   1.707  -7.295
  148    H    GLN  24           HN       GLN  24   5.747   1.778  -1.277
  149    HA   GLN  24           HA       GLN  24   6.658  -0.656   0.083
  150    HB2  GLN  24           HB2      GLN  24   4.166   0.986   0.238
  151    HB3  GLN  24           HB1      GLN  24   4.297  -0.599   0.968
  152    HG2  GLN  24           HG2      GLN  24   6.127   1.679   1.624
  153    HG3  GLN  24           HG1      GLN  24   4.611   1.334   2.465
  154   HE21  GLN  24          1HE2      GLN  24   4.502  -0.439   3.794
  155   HE22  GLN  24          2HE2      GLN  24   5.919  -1.295   4.267
  156    H    CYS  25           HN       CYS  25   6.196  -2.580  -0.731
  157    HA   CYS  25           HA       CYS  25   4.078  -2.780  -2.708
  158    HB2  CYS  25           HB2      CYS  25   6.388  -4.611  -2.048
  159    HB3  CYS  25           HB1      CYS  25   5.067  -5.062  -3.123
  160    H    PHE  26           HN       PHE  26   2.399  -4.210  -2.392
  161    HA   PHE  26           HA       PHE  26   2.072  -4.903   0.453
  162    HB2  PHE  26           HB2      PHE  26  -0.073  -3.858  -1.378
  163    HB3  PHE  26           HB1      PHE  26  -0.193  -4.145   0.350
  164    HD1  PHE  26           HD1      PHE  26   0.459  -1.772  -2.184
  165    HD2  PHE  26           HD2      PHE  26   1.379  -2.795   1.841
  166    HE1  PHE  26           HE1      PHE  26   1.146   0.515  -1.773
  167    HE2  PHE  26           HE2      PHE  26   2.058  -0.476   2.265
  168    HZ   PHE  26           HZ       PHE  26   1.939   1.177   0.442
  169    HA   PRO  27           HA       PRO  27   1.069  -8.778  -1.811
  170    HB2  PRO  27           HB2      PRO  27   1.753 -10.014   0.766
  171    HB3  PRO  27           HB1      PRO  27   2.458 -10.307  -0.827
  172    HG2  PRO  27           HG2      PRO  27   3.829  -9.046   1.109
  173    HG3  PRO  27           HG1      PRO  27   4.010  -8.610  -0.601
  174    HD2  PRO  27           HD2      PRO  27   2.390  -7.268   1.533
  175    HD3  PRO  27           HD1      PRO  27   3.451  -6.540   0.302
  176    H    ASP  28           HN       ASP  28  -0.033  -7.268   0.990
  177    HA   ASP  28           HA       ASP  28  -2.464  -8.948   1.110
  178    HB2  ASP  28           HB2      ASP  28  -1.060  -9.125   3.153
  179    HB3  ASP  28           HB1      ASP  28  -1.140  -7.387   3.351
  Start of MODEL   20
    1    H1   GLY   1           HN       GLY   1  -1.392  -6.432   0.144
    2    HA2  GLY   1           HA2      GLY   1  -2.630  -4.621  -0.685
    3    HA3  GLY   1           HA1      GLY   1  -4.068  -5.284   0.088
    4    H    PHE   2           HN       PHE   2  -3.584  -2.582   0.302
    5    HA   PHE   2           HA       PHE   2  -3.126  -2.325   3.173
    6    HB2  PHE   2           HB2      PHE   2  -0.914  -1.993   2.274
    7    HB3  PHE   2           HB1      PHE   2  -1.520  -0.852   1.094
    8    HD1  PHE   2           HD1      PHE   2  -1.873  -1.168   4.798
    9    HD2  PHE   2           HD2      PHE   2  -0.698   1.234   1.501
   10    HE1  PHE   2           HE1      PHE   2  -1.289   0.652   6.335
   11    HE2  PHE   2           HE2      PHE   2  -0.118   3.054   3.010
   12    HZ   PHE   2           HZ       PHE   2  -0.404   2.777   5.446
   13    H    CYS   3           HN       CYS   3  -4.639  -1.000   4.013
   14    HA   CYS   3           HA       CYS   3  -6.005   0.718   2.149
   15    HB2  CYS   3           HB2      CYS   3  -6.901  -0.336   4.831
   16    HB3  CYS   3           HB1      CYS   3  -7.850   0.729   3.798
   17    H    TRP   4           HN       TRP   4  -5.806   2.732   2.316
   18    HA   TRP   4           HA       TRP   4  -4.763   4.096   4.649
   19    HB2  TRP   4           HB2      TRP   4  -2.697   3.342   3.794
   20    HB3  TRP   4           HB1      TRP   4  -3.207   3.555   2.131
   21    HD1  TRP   4           HD1      TRP   4  -2.026   5.597   5.152
   22    HE1  TRP   4           HE1      TRP   4  -1.075   7.831   4.267
   23    HE3  TRP   4          3HE       TRP   4  -3.191   5.033   0.252
   24    HZ2  TRP   4           HZ2      TRP   4  -0.886   9.135   1.840
   25    HZ3  TRP   4           HZ3      TRP   4  -2.599   6.764  -1.326
   26    HH2  TRP   4          2HH       TRP   4  -1.448   8.827  -0.574
   27    H    HIS   5           HN       HIS   5  -4.826   6.516   4.319
   28    HA   HIS   5           HA       HIS   5  -5.924   8.346   3.838
   29    HB2  HIS   5           HB2      HIS   5  -4.382   7.768   1.802
   30    HB3  HIS   5           HB1      HIS   5  -5.916   7.607   0.952
   31    HD1  HIS   5           HD1      HIS   5  -6.507   9.756  -0.200
   32    HD2  HIS   5           HD2      HIS   5  -4.536  10.260   3.393
   33    HE1  HIS   5           HE1      HIS   5  -6.325  12.250   0.116
   34    H    HIS   6           HN       HIS   6  -7.634   5.979   4.281
   35    HA   HIS   6           HA       HIS   6  -9.805   5.332   4.251
   36    HB2  HIS   6           HB2      HIS   6 -10.265   8.102   3.111
   37    HB3  HIS   6           HB1      HIS   6 -11.575   6.988   3.463
   38    HD1  HIS   6           HD1      HIS   6 -12.596   7.339   5.713
   39    HD2  HIS   6           HD2      HIS   6  -8.645   8.617   5.564
   40    HE1  HIS   6           HE1      HIS   6 -12.105   8.376   7.969
   41    H    SER   7           HN       SER   7  -7.975   5.158   1.902
   42    HA   SER   7           HA       SER   7  -9.912   4.139  -0.020
   43    HB2  SER   7           HB2      SER   7  -8.692   6.149  -0.878
   44    HB3  SER   7           HB1      SER   7  -7.161   5.382  -0.478
   45    HG   SER   7           HG       SER   7  -7.232   4.639  -2.372
   46    H    CYS   8           HN       CYS   8  -8.141   2.518  -1.401
   47    HA   CYS   8           HA       CYS   8  -6.360   1.256   0.415
   48    HB2  CYS   8           HB2      CYS   8  -8.689   0.385   1.056
   49    HB3  CYS   8           HB1      CYS   8  -8.683  -0.402  -0.527
   50    H    VAL   9           HN       VAL   9  -5.007  -0.051  -0.525
   51    HA   VAL   9           HA       VAL   9  -5.204  -0.223  -3.416
   52    HB   VAL   9           HB       VAL   9  -2.715  -0.436  -3.478
   53   HG11  VAL   9          HG11      VAL   9  -3.695   1.734  -3.974
   54   HG12  VAL   9          HG12      VAL   9  -2.181   1.923  -3.059
   55   HG13  VAL   9          3HG1      VAL   9  -3.723   2.118  -2.239
   56   HG21  VAL   9          HG21      VAL   9  -2.240  -1.078  -1.161
   57   HG22  VAL   9          HG22      VAL   9  -2.744   0.550  -0.627
   58   HG23  VAL   9          HG23      VAL   9  -1.345   0.358  -1.652
   59    HA   PRO  10           HA       PRO  10  -5.744  -4.500  -2.681
   60    HB2  PRO  10           HB2      PRO  10  -5.366  -5.408  -5.227
   61    HB3  PRO  10           HB1      PRO  10  -6.839  -4.596  -4.692
   62    HG2  PRO  10           HG2      PRO  10  -4.540  -3.518  -6.248
   63    HG3  PRO  10           HG1      PRO  10  -6.268  -3.170  -6.410
   64    HD2  PRO  10           HD2      PRO  10  -4.481  -1.518  -5.163
   65    HD3  PRO  10           HD1      PRO  10  -6.203  -1.543  -4.770
   66    H    SER  11           HN       SER  11  -4.677  -6.620  -3.005
   67    HA   SER  11           HA       SER  11  -1.979  -6.488  -2.270
   68    HB2  SER  11           HB2      SER  11  -2.230  -9.038  -2.563
   69    HB3  SER  11           HB1      SER  11  -3.190  -8.234  -1.328
   70    HG   SER  11           HG       SER  11  -3.975  -9.163  -3.875
   71    H    GLY  12           HN       GLY  12  -0.182  -6.667  -3.413
   72    HA2  GLY  12           HA2      GLY  12   1.055  -7.501  -5.323
   73    HA3  GLY  12           HA1      GLY  12  -0.406  -7.296  -6.285
   74    H    THR  13           HN       THR  13  -0.814  -4.736  -4.717
   75    HA   THR  13           HA       THR  13   0.227  -3.005  -6.689
   76    HB   THR  13           HB       THR  13  -1.023  -2.388  -4.040
   77    HG1  THR  13           HG1      THR  13  -2.600  -3.337  -5.025
   78   HG21  THR  13          HG21      THR  13  -1.769  -0.239  -5.130
   79   HG22  THR  13          HG22      THR  13  -0.708  -0.617  -6.487
   80   HG23  THR  13          HG23      THR  13  -0.038  -0.368  -4.871
   81    H    CYS  14           HN       CYS  14   1.518  -1.277  -6.359
   82    HA   CYS  14           HA       CYS  14   3.410  -1.142  -4.169
   83    HB2  CYS  14           HB2      CYS  14   4.184  -1.261  -7.104
   84    HB3  CYS  14           HB1      CYS  14   5.280  -0.866  -5.789
   85    H    ALA  15           HN       ALA  15   3.729   0.988  -3.722
   86    HA   ALA  15           HA       ALA  15   3.278   2.971  -5.754
   87    HB1  ALA  15           HB1      ALA  15   1.468   4.142  -4.618
   88    HB2  ALA  15           HB2      ALA  15   1.414   2.888  -3.381
   89    HB3  ALA  15           HB3      ALA  15   0.973   2.503  -5.043
   90    H    ASP  16           HN       ASP  16   3.550   5.230  -4.836
   91    HA   ASP  16           HA       ASP  16   5.674   5.190  -2.947
   92    HB2  ASP  16           HB2      ASP  16   5.863   7.556  -3.595
   93    HB3  ASP  16           HB1      ASP  16   6.071   6.461  -4.956
   94    H    PHE  17           HN       PHE  17   5.366   5.614  -0.932
   95    HA   PHE  17           HA       PHE  17   3.102   7.255  -0.096
   96    HB2  PHE  17           HB2      PHE  17   4.249   4.812   1.327
   97    HB3  PHE  17           HB1      PHE  17   2.978   5.803   1.955
   98    HD1  PHE  17           HD1      PHE  17   0.672   5.759   0.969
   99    HD2  PHE  17           HD2      PHE  17   3.753   3.157  -0.454
  100    HE1  PHE  17           HE1      PHE  17  -0.975   4.406  -0.170
  101    HE2  PHE  17           HE2      PHE  17   2.095   1.840  -1.580
  102    HZ   PHE  17           HZ       PHE  17  -0.286   2.441  -1.454
  103    HA   PRO  18           HA       PRO  18   6.266   9.535   2.056
  104    HB2  PRO  18           HB2      PRO  18   4.755   9.803   4.519
  105    HB3  PRO  18           HB1      PRO  18   5.076  11.024   3.289
  106    HG2  PRO  18           HG2      PRO  18   2.615   9.957   3.751
  107    HG3  PRO  18           HG1      PRO  18   3.128  10.601   2.182
  108    HD2  PRO  18           HD2      PRO  18   2.946   7.756   3.100
  109    HD3  PRO  18           HD1      PRO  18   2.559   8.467   1.519
  110    H    TRP  19           HN       TRP  19   7.718   9.545   3.868
  111    HA   TRP  19           HA       TRP  19   8.670   7.100   4.830
  112    HB2  TRP  19           HB2      TRP  19   9.867   9.331   4.789
  113    HB3  TRP  19           HB1      TRP  19   8.899   9.808   6.169
  114    HD1  TRP  19           HD1      TRP  19  11.875   7.637   5.212
  115    HE1  TRP  19           HE1      TRP  19  13.089   6.899   7.337
  116    HE3  TRP  19          3HE       TRP  19   8.512   9.281   8.603
  117    HZ2  TRP  19           HZ2      TRP  19  12.673   7.010  10.144
  118    HZ3  TRP  19           HZ3      TRP  19   8.970   8.947  11.029
  119    HH2  TRP  19          2HH       TRP  19  11.013   7.827  11.767
  120    HA   PRO  20           HA       PRO  20   9.430   5.973   6.358
  121    HB2  PRO  20           HB2      PRO  20   9.181   3.897   7.982
  122    HB3  PRO  20           HB1      PRO  20   9.541   5.508   8.614
  123    HG2  PRO  20           HG2      PRO  20   7.010   3.960   8.725
  124    HG3  PRO  20           HG1      PRO  20   7.634   5.175   9.850
  125    HD2  PRO  20           HD2      PRO  20   5.725   5.545   7.745
  126    HD3  PRO  20           HD1      PRO  20   6.400   6.782   8.823
  127    H    LEU  21           HN       LEU  21   6.651   5.549   4.920
  128    HA   LEU  21           HA       LEU  21   6.731   2.714   4.440
  129    HB2  LEU  21           HB2      LEU  21   5.070   4.963   3.332
  130    HB3  LEU  21           HB1      LEU  21   4.916   3.306   2.787
  131    HG   LEU  21           HG       LEU  21   4.448   4.152   5.657
  132   HD11  LEU  21          HD11      LEU  21   2.074   3.989   5.127
  133   HD12  LEU  21          HD12      LEU  21   2.471   3.657   3.442
  134   HD13  LEU  21          HD13      LEU  21   2.833   5.244   4.137
  135   HD21  LEU  21          HD21      LEU  21   4.999   1.787   5.276
  136   HD22  LEU  21          HD22      LEU  21   3.682   1.716   4.095
  137   HD23  LEU  21          HD23      LEU  21   3.322   2.018   5.793
  138    H    GLY  22           HN       GLY  22   7.098   5.659   2.467
  139    HA2  GLY  22           HA2      GLY  22   8.409   6.050   0.612
  140    HA3  GLY  22           HA1      GLY  22   9.331   4.615   1.059
  141    H    HIS  23           HN       HIS  23   9.449   3.452  -0.790
  142    HA   HIS  23           HA       HIS  23   7.025   3.106  -2.346
  143    HB2  HIS  23           HB2      HIS  23   9.229   3.346  -3.551
  144    HB3  HIS  23           HB1      HIS  23   9.760   1.860  -2.778
  145    HD1  HIS  23           HD1      HIS  23   7.527   3.122  -5.497
  146    HD2  HIS  23           HD2      HIS  23   8.719  -0.442  -3.795
  147    HE1  HIS  23           HE1      HIS  23   6.686   1.309  -7.047
  148    H    GLN  24           HN       GLN  24   5.650   1.682  -1.697
  149    HA   GLN  24           HA       GLN  24   6.634  -0.702  -0.281
  150    HB2  GLN  24           HB2      GLN  24   4.163   0.928   0.189
  151    HB3  GLN  24           HB1      GLN  24   4.400  -0.675   0.857
  152    HG2  GLN  24           HG2      GLN  24   6.228   1.652   1.379
  153    HG3  GLN  24           HG1      GLN  24   4.888   1.165   2.421
  154   HE21  GLN  24          1HE2      GLN  24   5.053  -0.723   3.549
  155   HE22  GLN  24          2HE2      GLN  24   6.574  -1.497   3.791
  156    H    CYS  25           HN       CYS  25   5.812  -2.615  -0.826
  157    HA   CYS  25           HA       CYS  25   3.696  -2.710  -2.819
  158    HB2  CYS  25           HB2      CYS  25   6.032  -4.620  -2.427
  159    HB3  CYS  25           HB1      CYS  25   4.684  -4.902  -3.519
  160    H    PHE  26           HN       PHE  26   2.129  -4.384  -2.432
  161    HA   PHE  26           HA       PHE  26   2.095  -5.097   0.438
  162    HB2  PHE  26           HB2      PHE  26  -0.263  -4.168  -1.163
  163    HB3  PHE  26           HB1      PHE  26  -0.208  -4.473   0.569
  164    HD1  PHE  26           HD1      PHE  26   1.553  -3.128   1.884
  165    HD2  PHE  26           HD2      PHE  26   0.071  -2.022  -1.958
  166    HE1  PHE  26           HE1      PHE  26   2.278  -0.808   2.246
  167    HE2  PHE  26           HE2      PHE  26   0.793   0.233  -1.591
  168    HZ   PHE  26           HZ       PHE  26   1.886   0.868   0.477
  169    HA   PRO  27           HA       PRO  27   1.311  -9.149  -1.513
  170    HB2  PRO  27           HB2      PRO  27   1.719  -9.983   1.294
  171    HB3  PRO  27           HB1      PRO  27   2.502 -10.581  -0.171
  172    HG2  PRO  27           HG2      PRO  27   3.824  -9.048   1.566
  173    HG3  PRO  27           HG1      PRO  27   4.073  -8.878  -0.179
  174    HD2  PRO  27           HD2      PRO  27   2.470  -7.178   1.684
  175    HD3  PRO  27           HD1      PRO  27   3.522  -6.694   0.335
  176    H    ASP  28           HN       ASP  28  -0.107  -7.585   1.256
  177    HA   ASP  28           HA       ASP  28  -2.460  -9.352   1.060
  178    HB2  ASP  28           HB2      ASP  28  -1.413  -7.828   3.459
  179    HB3  ASP  28           HB1      ASP  28  -2.956  -8.661   3.416